32
1a   SCF Done:  E(RM06) =  -747.350382219 
 C                 -0.17392700   -0.79912900   -0.21367500
 O                  1.42856900   -2.13285400   -0.96693300
 N                  0.05890400   -1.71996600   -1.08230500
 C                  1.01987500   -0.51203400    0.67639900
 C                  2.05011300   -1.42411000    0.02343700
 O                  3.20946100   -1.58079900    0.28648400
 C                  1.83801700    1.77174700   -0.41008600
 C                  1.72959800    1.36092300   -1.67425400
 H                  1.40828600    0.36664100   -1.95707600
 H                  1.96733000    2.02797800   -2.49680800
 C                  0.73094800   -1.07190000    2.09626200
 H                  1.64040400   -1.02499100    2.69757200
 H                  0.39459200   -2.10945300    2.05778400
 H                 -0.04361300   -0.47653200    2.58157000
 C                 -1.54601900   -0.26958600   -0.09636000
 C                 -2.63346000   -1.10722900   -0.39699900
 C                 -1.79675000    1.05357700    0.29330100
 C                 -3.93592900   -0.62992200   -0.31179600
 H                 -2.44713200   -2.13470200   -0.68534700
 C                 -3.10372900    1.52729600    0.37636700
 H                 -0.97909000    1.72825600    0.50727200
 C                 -4.17545100    0.68903800    0.07607900
 H                 -4.76581700   -1.28974300   -0.54067100
 H                 -3.28197800    2.55501600    0.67339900
 H                 -5.19247000    1.05968900    0.14639700
 C                  2.29429400    3.17023600   -0.07236600
 H                  3.19350500    3.15038800    0.55320500
 H                  1.52949900    3.70809700    0.49891500
 H                  2.51738800    3.74880000   -0.97004500
 C                  1.56006300    0.92795600    0.81532300
 H                  0.89804800    1.48298500    1.48745500
 H                  2.49861900    0.83538400    1.37632500

29
2a   SCF Done:  E(RM06) =  -558.866709219  
 C                  0.27942900    0.06400600    0.01825500
 N                  1.05861800   -0.94903700    0.21166400
 C                  1.02694900    1.33262400   -0.24106000
 C                  2.44997700   -0.47677400    0.11168500
 C                  3.16559900   -0.74313800    1.45006400
 H                  3.16995800   -1.81388800    1.66671800
 H                  2.66039600   -0.22742200    2.26988100
 C                  0.45656500    2.68409200   -0.55536200
 H                  1.23128400    3.34094400   -0.95563100
 H                  0.04094200    3.17365500    0.33079400
 H                 -0.34855500    2.62303800   -1.29265500
 C                 -1.19457700   -0.10460200    0.02555400
 C                 -1.74785600   -1.31838800   -0.41242200
 C                 -2.05932400    0.89724300    0.48746400
 C                 -3.12352800   -1.52040700   -0.39685500
 H                 -1.08251200   -2.09742100   -0.76556000
 C                 -3.43785500    0.69074300    0.51161300
 H                 -1.66106600    1.83454900    0.85524600
 C                 -3.97481900   -0.51503700    0.06537500
 H                 -3.53397300   -2.46196100   -0.74711200
 H                 -4.09115900    1.47412200    0.88152700
 H                 -5.04839800   -0.67194000    0.07758300
 C                  3.15169400   -1.23489000   -1.03217100
 H                  4.18681700   -0.90021100   -1.13653400
 H                  2.63870300   -1.06809700   -1.98207800
 H                  3.15432900   -2.30752800   -0.82506800
 C                  2.32474300    0.99258400   -0.18561500
 H                  3.17054700    1.65132100   -0.34693200
 H                  4.20038600   -0.39424400    1.40901700
 
29
3a   SCF Done:  E(RM06) =  -558.854233654
 C                 -0.23351200   -0.45945600   -0.10280700
 N                 -0.68917500   -1.63971500   -0.31976300
 C                 -1.27589200    0.62160100    0.05477400
 C                 -2.58556700   -0.14451800   -0.13541800
 C                 -2.15882100   -1.60153300   -0.30652700
 H                 -2.54078700   -2.05377700   -1.22865500
 H                 -2.51962200   -2.22579400    0.52074000
 C                 -1.09428200    1.74878900    1.04699900
 H                 -0.83790500    1.36601400    2.03953700
 H                 -2.01447700    2.32889800    1.14491900
 H                 -0.30653900    2.44365100    0.74765400
 C                  1.22633800   -0.21078800   -0.03570500
 C                  2.08600100   -1.20730600    0.45030700
 C                  1.77999700    0.99558900   -0.48686900
 C                  3.46069500   -0.99970400    0.49208800
 H                  1.65941400   -2.14214900    0.79524300
 C                  3.15838600    1.19865200   -0.45564900
 H                  1.13604200    1.76930200   -0.88920800
 C                  4.00172900    0.20499400    0.03890300
 H                  4.11217700   -1.77651200    0.87903300
 H                  3.57290300    2.13334800   -0.81881400
 H                  5.07410500    0.36727000    0.07133000
 C                 -3.85162000    0.14089000    0.63652800
 H                 -4.72039600   -0.28310100    0.12220100
 H                 -4.03335000    1.21252900    0.74533400
 H                 -3.81477900   -0.29801800    1.63875500
 C                 -2.10941600    0.79623000   -1.20951400
 H                 -2.64070400    1.73826400   -1.30810600
 H                 -1.72607300    0.39744100   -2.14429100
 
29
4a   SCF Done:  E(RM06) =  -558.836359610
 C                  0.32502900    0.17877800    0.02353200
 N                  1.15629100   -0.99363300    0.22019100
 C                  1.03556800    1.30650200   -0.18835800
 C                  2.55885000   -0.51474000    0.06357400
 C                  1.93501300   -1.33000400   -1.00708400
 H                  2.20226400   -2.37797800   -1.10281700
 H                  1.62982200   -0.84146500   -1.92796300
 C                  0.56650700    2.69770000   -0.48499100
 H                  0.61624000    3.34192600    0.40180900
 H                 -0.45805900    2.72799400   -0.85769300
 H                  1.21136600    3.16015500   -1.23895700
 C                 -1.13218500   -0.03340100    0.06471900
 C                 -2.02600900    0.96364500    0.49278000
 C                 -1.66576600   -1.28076000   -0.30619000
 C                 -3.39982100    0.73444400    0.51088000
 H                 -1.64572700    1.91377700    0.84694700
 C                 -3.03880900   -1.50709900   -0.29071200
 H                 -0.99315600   -2.07573000   -0.60597900
 C                 -3.91453100   -0.49857800    0.11215700
 H                 -4.06860100    1.51887200    0.85067800
 H                 -3.42644300   -2.47586200   -0.58987400
 H                 -4.98484900   -0.67627200    0.12813300
 C                  3.60015800   -1.10823100    0.97966500
 H                  3.54848700   -0.65211700    1.97323600
 H                  4.60584800   -0.93559900    0.58357400
 H                  3.46130200   -2.18564000    1.09195000
 C                  2.51713300    1.00165300   -0.11107300
 H                  3.06127900    1.34874300   -0.99720900
 H                  2.97937200    1.50518000    0.74943000

94
RhL2Cl   SCF Done:  E(RM06) =  -3329.72869755
 Rh                -0.15724500   -0.09622100   -1.81201400
 P                 -1.74713900    0.09922500   -0.26959400
 P                  1.68052500   -0.02895400   -0.47623300
 C                 -3.44587300    0.00028000   -0.99602300
 C                 -3.91639900    1.08792700   -1.75304500
 C                 -5.17384300    1.06912200   -2.32821200
 C                 -6.00663000   -0.05111000   -2.17567700
 C                 -5.55404000   -1.14180200   -1.43008900
 C                 -4.28382500   -1.10547200   -0.84860200
 C                 -1.87899300    1.68279300    0.66498300
 C                 -2.99104200    1.95857600    1.48384900
 C                 -3.10866100    3.16914900    2.14427900
 C                 -2.12300400    4.15865700    1.99513300
 C                 -1.02617200    3.91150600    1.16518300
 C                 -0.91911800    2.68317700    0.51091800
 C                  2.57618200    1.58107200   -0.58214500
 C                  3.60569600    1.94572100    0.29126100
 C                  4.29439900    3.14964300    0.14342300
 C                  3.95925700    4.01768800   -0.90191400
 C                  2.92882800    3.66393500   -1.78600300
 C                  2.25209100    2.46620700   -1.62450600
 C                  2.80147600   -1.21923100   -1.33618300
 C                  4.15390800   -0.94706900   -1.60509300
 C                  4.95454600   -1.87867600   -2.24539500
 C                  4.42867600   -3.11789400   -2.64167700
 C                  3.08156500   -3.40182500   -2.39296200
 C                  2.28585800   -2.45402700   -1.75085000
 H                  1.44581400    2.21344300   -2.30687400
 H                  2.67309700    4.34696200   -2.58851400
 H                  5.08198100    3.39488700    0.84419700
 H                  3.88361200    1.29022300    1.10860900
 H                  4.58856000    0.00169600   -1.31412800
 H                  5.99826700   -1.66790800   -2.45145500
 H                  2.64123700   -4.34384600   -2.69302900
 H                  1.24081400   -2.68420400   -1.57154700
 H                 -6.17172600   -2.01915700   -1.28727000
 H                 -5.53505300    1.91085100   -2.90903600
 H                 -3.29074700    1.96242500   -1.89514300
 H                 -3.96470300   -1.96231500   -0.26789700
 H                 -3.78256900    1.22614300    1.59650400
 H                 -0.07518700    2.51547900   -0.14640100
 H                 -0.25863800    4.65850100    1.01022700
 H                 -3.96460000    3.37858500    2.77637800
 C                  1.83074800   -0.46603300    1.30822000
 C                  1.41353200    0.44661900    2.29332000
 C                  2.33502600   -1.69821200    1.73032000
 C                  1.51276500    0.14161500    3.63984200
 H                  1.01528300    1.41398400    2.01001800
 C                  2.43181900   -2.02248600    3.08447500
 H                  2.67272800   -2.42746000    1.00351800
 C                  2.02082200   -1.09994900    4.05029100
 H                  1.19703500    0.85157000    4.39640800
 H                  2.83175800   -2.98805700    3.36581000
 C                 -1.73514500   -1.26098200    0.97357700
 C                 -1.93502100   -1.07954400    2.34288400
 C                 -1.53579600   -2.57352600    0.50703100
 C                 -1.95392100   -2.15960200    3.22721600
 H                 -2.06989000   -0.08625700    2.75161300
 C                 -1.55910200   -3.65496100    1.37107400
 H                 -1.35638800   -2.74704800   -0.54896000
 C                 -1.77091400   -3.45794600    2.74427700
 H                 -2.10641600   -1.97039600    4.28187800
 H                 -1.40841800   -4.66490500    1.00586700
 Cl                -1.43753900   -0.26744900   -3.91449700
 O                  2.07231400   -1.30674400    5.39174400
 O                  4.55953900    5.21095200   -1.13833900
 O                  5.29664600   -3.96040200   -3.25461800
 O                 -1.77282400   -4.57772400    3.51201300
 O                 -7.21972200    0.02501400   -2.78305900
 O                 -2.33257000    5.31014400    2.67989900
 C                  4.82770100   -5.24151300   -3.67866800
 H                  4.03116600   -5.14578600   -4.42135000
 H                  5.68619700   -5.73382800   -4.12943600
 H                  4.47223300   -5.83320500   -2.83067600
 C                  2.58356100   -2.55005000    5.87339700
 H                  2.53138700   -2.48913700    6.95803100
 H                  1.97523600   -3.38971500    5.52607500
 H                  3.62274400   -2.69691900    5.56653900
 C                  5.61761600    5.63109700   -0.27561700
 H                  5.93901500    6.59833600   -0.65481300
 H                  5.26850500    5.74143600    0.75462600
 H                  6.45617700    4.93027800   -0.30766300
 C                 -1.99240900   -4.44397000    4.91674700
 H                 -1.95749300   -5.45442400    5.31744400
 H                 -1.21076400   -3.83925800    5.38471200
 H                 -2.97162300   -4.00360500    5.12394300
 C                 -1.37497800    6.36365100    2.55942300
 H                 -1.29797800    6.71188200    1.52594400
 H                 -1.74571600    7.17051100    3.18718700
 H                 -0.39112800    6.04674200    2.91589100
 C                 -8.10599100   -1.08916000   -2.68057700
 H                 -8.38083500   -1.28336900   -1.64001500
 H                 -8.99424100   -0.81208300   -3.24379800
 H                 -7.66358700   -1.98883300   -3.11736400
  
126
1-Rh   SCF Done:  E(RM06) =  -4077.12862222
 Rh                -0.16774600    0.68701700   -0.83195200
 P                  2.10941000    0.86014900   -0.41409200
 P                 -0.52758000   -1.34276800    0.23546300
 C                  2.85780700    2.50307600   -0.85566600
 C                  3.32805100    2.73730700   -2.15882700
 C                  3.86166000    3.96270400   -2.52129300
 C                  3.93023500    5.01003200   -1.59150100
 C                  3.45888500    4.79959100   -0.29354400
 C                  2.93253200    3.55463600    0.05914800
 C                  3.23873200   -0.27536800   -1.32853800
 C                  4.64139200   -0.15452800   -1.29265900
 C                  5.45206800   -1.00299300   -2.02706800
 C                  4.88728000   -1.99569700   -2.84403600
 C                  3.49635700   -2.10700800   -2.92148700
 C                  2.69411100   -1.24801300   -2.16875600
 C                 -0.79785500   -2.69236600   -1.00787900
 C                 -0.82810700   -4.04592500   -0.64760300
 C                 -1.03515600   -5.05164200   -1.58968600
 C                 -1.21182800   -4.71504400   -2.93715300
 C                 -1.17264100   -3.36658600   -3.31540900
 C                 -0.96842100   -2.37725400   -2.36476000
 C                 -2.06300100   -1.35166400    1.27219500
 C                 -2.99084100   -2.40550400    1.27320500
 C                 -4.06438900   -2.41603500    2.15046100
 C                 -4.24507700   -1.36956000    3.06464700
 C                 -3.34215900   -0.30210000    3.06595200
 C                 -2.27394300   -0.30013700    2.16889600
 H                 -0.93501500   -1.34177800   -2.67854900
 H                 -1.30016700   -3.11471100   -4.36262900
 H                 -1.04865400   -6.08335900   -1.26248300
 H                 -0.67591300   -4.33879600    0.38469400
 H                 -2.88401300   -3.23006300    0.58020300
 H                 -4.77954600   -3.23147700    2.14376100
 H                 -3.46135100    0.53343500    3.74295400
 H                 -1.59357300    0.54396900    2.17895200
 H                  3.50041200    5.58254400    0.45290400
 H                  4.22890100    4.13448500   -3.52741300
 H                  3.28136900    1.95166000   -2.90347600
 H                  2.58762200    3.42018200    1.07727500
 H                  5.11021000    0.62619500   -0.70538800
 H                  1.61703600   -1.33378500   -2.25091700
 H                  3.02577400   -2.84363200   -3.55960500
 H                  6.53198500   -0.90897900   -1.99421700
 C                  0.66890800   -2.19196900    1.37866300
 C                  1.78710000   -2.86371500    0.85522600
 C                  0.48710700   -2.22389300    2.76293100
 C                  2.67135100   -3.54223000    1.67708300
 H                  1.96550200   -2.87659900   -0.21233000
 C                  1.37057400   -2.90159600    3.60549200
 H                 -0.36465700   -1.73029200    3.21363000
 C                  2.47108000   -3.57013900    3.06443500
 H                  3.52610300   -4.06577900    1.26261900
 H                  1.18153500   -2.90256200    4.67128300
 C                  2.53233200    0.75834800    1.38364200
 C                  3.72608700    0.25049900    1.89892100
 C                  1.61922700    1.32550100    2.28838700
 C                  4.01919000    0.31403100    3.26204900
 H                  4.45061700   -0.22173200    1.24851600
 C                  1.89913300    1.40535300    3.64330000
 H                  0.67293400    1.70639500    1.91850900
 C                  3.10796200    0.90268400    4.14403200
 H                  4.95389200   -0.10104100    3.61658200
 H                  1.19040100    1.84763800    4.33498100
 Cl                -0.05570700    2.61217200   -2.46625800
 C                 -3.19499800    1.80122800   -0.88313300
 O                 -2.63773700    0.35960600   -2.48655900
 N                 -2.27514200    0.96314200   -1.23244300
 C                 -4.24465800    1.97352300   -1.96778200
 C                 -3.81798800    0.88780400   -2.93507600
 O                 -4.32555400    0.51529500   -3.95423700
 C                 -6.34062700    0.68532000   -0.97582500
 C                 -5.64927900   -0.38016200   -0.57086500
 H                 -4.57421500   -0.47075100   -0.66528700
 H                 -6.14689600   -1.22495800   -0.10660700
 C                 -3.95997200    3.33879100   -2.66595100
 H                 -4.57171000    3.41389100   -3.56643200
 H                 -2.90890000    3.43164000   -2.94205300
 H                 -4.21929300    4.15719300   -1.99313600
 C                 -3.10075500    2.62166300    0.33868100
 C                 -1.91268400    3.29569700    0.65918500
 C                 -4.21404100    2.75933700    1.18207100
 C                 -1.84294100    4.08630100    1.80384700
 H                 -1.06077300    3.21290900   -0.00313500
 C                 -4.13437800    3.54484000    2.32775400
 H                 -5.12734200    2.21826100    0.97201400
 C                 -2.95030900    4.21211100    2.64094100
 H                 -0.92160300    4.60950700    2.03628800
 H                 -4.99794000    3.63130400    2.97817700
 H                 -2.89297600    4.82918300    3.53138300
 C                 -7.83808700    0.76747600   -0.80771300
 H                 -8.33744300    0.88345100   -1.77593400
 H                 -8.12034000    1.63823100   -0.20545300
 H                 -8.23810000   -0.12453200   -0.32329600
 C                 -5.74832100    1.90767900   -1.63962500
 H                 -6.01174300    2.79642600   -1.05616400
 H                 -6.26225000    2.04756300   -2.59815300
 O                  3.38900900   -4.26777200    3.78532600
 O                 -1.41487900   -5.61019700   -3.93718200
 O                 -5.31902400   -1.47790900    3.89035700
 O                  3.29480800    1.02478100    5.48481800
 O                  4.47039000    6.17403300   -2.04382400
 O                  5.76631400   -2.77579200   -3.52124600
 C                 -5.54365900   -0.45289400    4.85828400
 H                 -5.72059300    0.51412000    4.37953700
 H                 -6.43446900   -0.75406700    5.40485500
 H                 -4.70166700   -0.37105700    5.55130800
 C                  3.22870300   -4.34733300    5.20123500
 H                  4.06296700   -4.94655600    5.55913100
 H                  3.26877100   -3.35646600    5.66237400
 H                  2.28819900   -4.83799700    5.46753400
 C                 -1.46110200   -7.00077500   -3.61531500
 H                 -1.63297400   -7.51509100   -4.55802800
 H                 -0.51546400   -7.33941200   -3.18315300
 H                 -2.28066800   -7.22110000   -2.92589800
 C                  4.51166000    0.54121000    6.05350800
 H                  4.44619400    0.75836700    7.11728200
 H                  4.61695300   -0.53770300    5.90876500
 H                  5.37914800    1.05506200    5.63006400
 C                  5.25592300   -3.80302600   -4.37275500
 H                  4.64746200   -3.38371700   -5.17855500
 H                  6.12881300   -4.29455400   -4.79596200
 H                  4.66693000   -4.52945100   -3.80632100
 C                  4.56330200    7.27736400   -1.14427200
 H                  5.19823700    7.03855900   -0.28623300
 H                  5.01538100    8.08596300   -1.71440100
 H                  3.57522400    7.58842800   -0.79321700
 
126
1-Rh-1   SCF Done:  E(RM06) =  -4077.10599694
 Rh                -0.07591200    0.78320100   -0.43285500
 P                  2.13051900    1.21409300   -0.36935000
 P                  0.01650400   -1.39758500    0.31205400
 C                  2.62249100    2.94249200   -0.83228400
 C                  2.57490600    3.31989900   -2.18570500
 C                  2.93640600    4.59283900   -2.58903800
 C                  3.35366900    5.54391200   -1.64462100
 C                  3.40367500    5.18793800   -0.29566400
 C                  3.04061000    3.89583600    0.09534900
 C                  3.18966900    0.28309100   -1.55965500
 C                  4.56490900    0.55046400   -1.70026700
 C                  5.32675600   -0.10395400   -2.65280700
 C                  4.73325700   -1.03456000   -3.52113600
 C                  3.36225800   -1.28584700   -3.41986600
 C                  2.61054700   -0.62528200   -2.44649200
 C                 -0.38463200   -2.67653500   -0.96334900
 C                 -0.21587500   -4.04661000   -0.72811100
 C                 -0.54633100   -5.00078000   -1.68886700
 C                 -1.06047000   -4.59137300   -2.92491700
 C                 -1.23438400   -3.22346900   -3.17465900
 C                 -0.89942900   -2.28558900   -2.20919200
 C                 -1.33863300   -1.55607700    1.56159600
 C                 -2.27152700   -2.60447800    1.56331600
 C                 -3.25145300   -2.68826200    2.54152600
 C                 -3.32436900   -1.72682300    3.55890500
 C                 -2.40436400   -0.67320300    3.57099700
 C                 -1.43611600   -0.59355200    2.57177400
 H                 -1.04363500   -1.23513700   -2.43045900
 H                 -1.63048000   -2.91516500   -4.13611500
 H                 -0.39696200   -6.04877600   -1.46310200
 H                  0.18543500   -4.39100300    0.21791800
 H                 -2.24159500   -3.36509500    0.79274800
 H                 -3.97446500   -3.49677100    2.53679800
 H                 -2.43816900    0.09283900    4.33495100
 H                 -0.74750000    0.24415500    2.57980500
 H                  3.72568900    5.89323100    0.45979000
 H                  2.90179600    4.87800100   -3.63501600
 H                  2.25310200    2.60725800   -2.93735400
 H                  3.09843400    3.64793700    1.14798600
 H                  5.04579700    1.29479400   -1.07605900
 H                  1.54487200   -0.81422900   -2.38949900
 H                  2.86689100   -1.97964500   -4.08662100
 H                  6.38676700    0.10087900   -2.75572000
 C                  1.44351700   -2.21249500    1.17525500
 C                  2.53780400   -2.68308500    0.42857400
 C                  1.46289300   -2.42479200    2.55537800
 C                  3.59468800   -3.34003400    1.03558400
 H                  2.56210700   -2.55218500   -0.64585400
 C                  2.52206100   -3.08447400    3.18234300
 H                  0.63635900   -2.09173000    3.17058800
 C                  3.59788300   -3.54904300    2.42228400
 H                  4.43106300   -3.70735700    0.45075800
 H                  2.48746600   -3.23044800    4.25431500
 C                  2.86432700    1.03780600    1.31570200
 C                  4.10953600    0.47429500    1.59602300
 C                  2.12609700    1.56444300    2.39096700
 C                  4.62291500    0.44653700    2.89428200
 H                  4.70070900    0.02670400    0.80797200
 C                  2.62529900    1.55190200    3.68283300
 H                  1.14417100    1.98891700    2.20899500
 C                  3.88497700    0.99425200    3.94711800
 H                  5.58974600   -0.00895900    3.06543300
 H                  2.05291300    1.96335900    4.50698500
 Cl                -0.71782400    3.10515000   -1.03525800
 C                 -4.48212600    1.44188400   -0.21433000
 O                 -2.51891500    0.57307400   -0.76021400
 N                 -3.38591600    1.02226500    0.30651400
 C                 -4.48281600    1.41849700   -1.72866600
 C                 -3.13007500    0.77374000   -1.98110900
 O                 -2.60272100    0.47784200   -3.01329300
 C                 -5.98216200   -0.74062700   -2.15012500
 C                 -5.35877400   -1.51174700   -1.25826400
 H                 -4.51950600   -1.18145500   -0.66002700
 H                 -5.67653900   -2.53612500   -1.09200600
 C                 -4.41111300    2.88172000   -2.24770900
 H                 -4.27721200    2.87426300   -3.33080600
 H                 -3.57625300    3.42099200   -1.79927000
 H                 -5.34018300    3.40227100   -2.01134600
 C                 -5.50760500    2.02201000    0.67628600
 C                 -5.10621600    2.84856300    1.73739800
 C                 -6.87210400    1.75731300    0.49415200
 C                 -6.05240800    3.39944900    2.59555700
 H                 -4.05388300    3.06845100    1.87197300
 C                 -7.81421200    2.30830900    1.35875900
 H                 -7.20078000    1.09706900   -0.29762500
 C                 -7.40844500    3.13133300    2.40816400
 H                 -5.73101500    4.04361100    3.40681100
 H                 -8.86649300    2.09004000    1.21283600
 H                 -8.14579800    3.56359900    3.07609000
 C                 -7.14714300   -1.25595500   -2.95986100
 H                 -6.93863100   -1.19272500   -4.03354300
 H                 -8.04783700   -0.65795300   -2.78176800
 H                 -7.37631700   -2.29497100   -2.71853800
 C                 -5.61623200    0.68932300   -2.48410900
 H                 -6.51601100    1.31036800   -2.42222600
 H                 -5.33432700    0.72431600   -3.54365500
 O                  4.67649900   -4.20791700    2.92293300
 O                 -1.41144900   -5.43090800   -3.93235300
 O                 -4.31580400   -1.90068200    4.47153300
 O                  4.28831600    1.02594200    5.24400900
 O                  3.68831500    6.76571600   -2.13974300
 O                  5.56399500   -1.61589400   -4.42230500
 C                 -4.45604100   -0.94285100    5.52081100
 H                 -4.66461300    0.05384300    5.12229600
 H                 -5.30241600   -1.27944000    6.11526000
 H                 -3.56159800   -0.90811600    6.14904900
 C                  4.73323500   -4.45696800    4.32724500
 H                  5.66922400   -4.98485300    4.49557100
 H                  4.73474200   -3.52275000    4.89575800
 H                  3.89851500   -5.08373200    4.65355800
 C                 -1.25805200   -6.83747600   -3.73910100
 H                 -1.59764900   -7.29984000   -4.66307600
 H                 -0.21170700   -7.10190400   -3.56328300
 H                 -1.87235900   -7.19278600   -2.90722200
 C                  5.56019000    0.47098700    5.57959800
 H                  5.67027300    0.61464100    6.65207900
 H                  5.59950000   -0.59734900    5.34950000
 H                  6.36972400    0.98931100    5.05819100
 C                  5.01874600   -2.55299200   -5.35240700
 H                  4.26177800   -2.08494900   -5.98745500
 H                  5.85554700   -2.87895700   -5.96574000
 H                  4.58606500   -3.41549000   -4.83821700
 C                  4.11548800    7.77691600   -1.22811000
 H                  5.02454900    7.47664400   -0.69921000
 H                  4.32405200    8.65401700   -1.83668200
 H                  3.33169300    8.01502500   -0.50350300
 
126
1-Rh-2   SCF Done:  E(RM06) =  -4077.12229081
 Rh                -0.13781400    0.46445800    0.22619200
 P                 -2.51558200    0.79877300    0.03507300
 P                  2.26571600    0.59383700    0.16886100
 C                 -3.59241700   -0.49890500   -0.73577500
 C                 -3.56628700   -0.70002900   -2.12808500
 C                 -4.36834500   -1.65384200   -2.73207000
 C                 -5.22431900   -2.45432900   -1.96018500
 C                 -5.25222600   -2.28157900   -0.57409500
 C                 -4.44202100   -1.31062600    0.02037300
 C                 -2.90480800    2.25670500   -1.03838100
 C                 -4.17533300    2.45262500   -1.61161400
 C                 -4.44584400    3.55918200   -2.40035200
 C                 -3.44771100    4.51225700   -2.65071100
 C                 -2.17552200    4.32798400   -2.10160200
 C                 -1.91829700    3.20925200   -1.30834700
 C                  3.04978000    0.47102400   -1.49961400
 C                  4.43809800    0.55613000   -1.66867700
 C                  5.02182200    0.56051800   -2.93260900
 C                  4.20919600    0.50061000   -4.07278200
 C                  2.81862600    0.44324400   -3.91961900
 C                  2.25223500    0.43136700   -2.65202100
 C                  3.09451900   -0.66382900    1.23261900
 C                  4.04023900   -1.59680400    0.78518500
 C                  4.61453800   -2.50987300    1.65942200
 C                  4.26425600   -2.51290900    3.01433300
 C                  3.31518800   -1.59480300    3.47752700
 C                  2.73398200   -0.69722000    2.58617700
 H                  1.17488900    0.39345100   -2.55697500
 H                  2.19669300    0.41175800   -4.80761600
 H                  6.09924400    0.62215100   -3.01546900
 H                  5.08839700    0.63735200   -0.80474700
 H                  4.33452300   -1.62350100   -0.25617300
 H                  5.34246000   -3.23307600    1.30774100
 H                  3.00979600   -1.57927500    4.51560900
 H                  1.98579600   -0.00691100    2.96283200
 H                 -5.89830200   -2.88177900    0.05351400
 H                 -4.34883200   -1.79759500   -3.80682000
 H                 -2.92014500   -0.09410000   -2.75237100
 H                 -4.49979700   -1.18567800    1.09555600
 H                 -4.96361000    1.72532500   -1.45743000
 H                 -0.92897400    3.08139900   -0.88810800
 H                 -1.37857800    5.03783200   -2.28257200
 H                 -5.42700300    3.70400000   -2.83937500
 C                  3.03756400    2.18897500    0.71634400
 C                  2.73551100    3.34945100   -0.01818100
 C                  3.92999900    2.30632300    1.77981900
 C                  3.30342100    4.56963200    0.30075000
 H                  2.04611700    3.29883400   -0.85429900
 C                  4.50724800    3.53475700    2.11964800
 H                  4.19929500    1.43738800    2.36762000
 C                  4.19609800    4.67576100    1.37915500
 H                  3.06733300    5.46179500   -0.26934000
 H                  5.19506300    3.57707700    2.95458500
 C                 -3.39039500    1.12349200    1.63194000
 C                 -2.85399100    0.59702600    2.80922800
 C                 -4.59264400    1.84267700    1.72409100
 C                 -3.48938200    0.75351300    4.04141300
 H                 -1.90591700    0.07327000    2.77391200
 C                 -5.23134100    2.01693600    2.94202100
 H                 -5.03830000    2.28496000    0.84145600
 C                 -4.68830700    1.46940000    4.11353900
 H                 -3.03404700    0.32983700    4.92725200
 H                 -6.15595500    2.57983300    3.01067400
 Cl                -0.15318500    2.44362300    1.65441000
 C                 -0.12185900   -2.58663800   -0.42279900
 O                 -0.45852800   -1.24550300   -2.17738100
 N                 -0.18706700   -1.33500100   -0.74330800
 C                 -0.44217800   -3.50800700   -1.58366600
 C                 -0.55891700   -2.50187400   -2.71136600
 O                 -0.74757600   -2.67130700   -3.88265500
 C                  1.96082800   -4.45257800   -2.23321600
 C                  2.55410700   -3.26063900   -2.28827100
 H                  2.04338900   -2.32780900   -2.08881900
 H                  3.60357500   -3.16912100   -2.54909000
 C                 -1.85981200   -4.10554200   -1.34412700
 H                 -2.18805500   -4.62384100   -2.24630700
 H                 -2.58966300   -3.33394600   -1.10356400
 H                 -1.82281400   -4.82002000   -0.52086000
 C                  0.03595400   -3.05607700    0.96907600
 C                 -0.92216200   -2.71386900    1.93274600
 C                  1.07676100   -3.92776600    1.31407200
 C                 -0.84418600   -3.24227300    3.21820300
 H                 -1.74037600   -2.05925500    1.66302500
 C                  1.15604000   -4.44424400    2.60452000
 H                  1.83921000   -4.17655900    0.58646500
 C                  0.19389800   -4.10973200    3.55593500
 H                 -1.59788000   -2.97945600    3.95258700
 H                  1.97550100   -5.10423800    2.86669500
 H                  0.25366800   -4.52186900    4.55762000
 C                  2.71414700   -5.72706700   -2.52505700
 H                  2.26800600   -6.26239100   -3.37046200
 H                  2.68001600   -6.41121000   -1.66998600
 H                  3.76088500   -5.53033700   -2.76146700
 C                  0.50450100   -4.68467600   -1.90279600
 H                  0.43843300   -5.39497500   -1.07131800
 H                  0.04971800   -5.21028800   -2.75079400
 O                  4.69763400    5.91881200    1.61443500
 O                  4.67082600    0.50478600   -5.34959000
 O                  4.88178100   -3.44464100    3.78909300
 O                 -5.38942200    1.69525200    5.25529800
 O                 -5.97169400   -3.35832900   -2.64619300
 O                 -3.81040200    5.56079800   -3.43413700
 C                  4.59433600   -3.47176700    5.18721000
 H                  3.54016700   -3.69524000    5.37225100
 H                  5.21004900   -4.26832400    5.59895400
 H                  4.85846600   -2.52407300    5.66470000
 C                  5.60645300    6.09263300    2.70013200
 H                  5.86803000    7.14849800    2.70037600
 H                  5.13953500    5.83366700    3.65474300
 H                  6.51143600    5.49422300    2.56106700
 C                  6.08011400    0.56941300   -5.57102100
 H                  6.20863300    0.55529700   -6.65087300
 H                  6.50360100    1.49286100   -5.16660700
 H                  6.59040700   -0.29252300   -5.13252500
 C                 -4.88175300    1.17556200    6.48418800
 H                 -5.59449900    1.47734300    7.24831400
 H                 -4.81757400    0.08416800    6.45749700
 H                 -3.89940700    1.59592000    6.71660000
 C                 -2.83946300    6.56706900   -3.72330500
 H                 -1.98941500    6.15222000   -4.27196500
 H                 -3.35002300    7.29822400   -4.34594100
 H                 -2.48595100    7.05111000   -2.80879500
 C                 -6.86494600   -4.20029200   -1.91720400
 H                 -7.62172400   -3.61321400   -1.38950900
 H                 -7.34867600   -4.82989000   -2.66052700
 H                 -6.32447500   -4.82897800   -1.20408700
 
126
1-Rh-3   SCF Done:  E(RM06) =  -4077.08729351
 Rh                 0.32692700   -0.80646000    0.20297700
 Cl                 1.15816800   -2.72609700    1.39343400
 P                  2.59361500   -0.08700300   -0.17600900
 C                  2.92970300    1.67823600    0.25698600
 C                  3.81242900    2.51222500   -0.44903400
 C                  2.31821000    2.19814900    1.40261800
 C                  4.07567500    3.80383000   -0.01961100
 H                  4.29773500    2.15953800   -1.35075200
 C                  2.58346300    3.49073400    1.85525600
 H                  1.61509500    1.58669300    1.95769400
 C                  3.47035700    4.30390200    1.14259900
 H                  4.75390700    4.44641200   -0.57052700
 H                  2.08956200    3.84807800    2.74951500
 C                  3.14133600   -0.27125800   -1.92975800
 C                  4.49349100   -0.21791400   -2.31793700
 C                  2.18617500   -0.48442300   -2.92658800
 C                  4.86305500   -0.34949600   -3.64610900
 H                  5.27002600   -0.08683500   -1.57313000
 C                  2.54279700   -0.61671900   -4.26968300
 H                  1.13869500   -0.55301800   -2.65744300
 C                  3.88912900   -0.54550300   -4.63788100
 H                  5.90579000   -0.30876600   -3.94187100
 H                  1.76665100   -0.77960900   -5.00630900
 C                  3.95710500   -0.95948600    0.72596300
 C                  4.57819300   -0.41444300    1.85838900
 C                  4.36259200   -2.23187900    0.31052100
 C                  5.57015700   -1.10843300    2.53875700
 H                  4.29667000    0.56863700    2.21636600
 C                  5.36245400   -2.93717100    0.97685500
 H                  3.90012900   -2.69249400   -0.55517000
 C                  5.97471800   -2.37575000    2.10295300
 H                  6.05115400   -0.67822100    3.41067200
 H                  5.64734500   -3.91625500    0.61328900
 O                  3.80181800    5.57558600    1.48456400
 O                  4.35306700   -0.66111900   -5.90866500
 O                  6.95952400   -2.97289600    2.82829200
 C                  3.22768200    6.13947500    2.66422900
 C                  3.41391400   -0.86481500   -6.96484600
 C                  7.41186700   -4.26600500    2.42980600
 H                  8.18670500   -4.54007600    3.14241000
 H                  6.60316200   -5.00106100    2.47212000
 H                  7.83620700   -4.24577700    1.42187300
 H                  2.71262000   -0.02899300   -7.03818600
 H                  4.00443500   -0.92319500   -7.87629200
 H                  2.86067000   -1.79815400   -6.82922600
 H                  3.63886900    7.14347500    2.74040500
 H                  2.13867000    6.19713400    2.58676500
 H                  3.50343200    5.56474000    3.55268500
 P                 -1.82037400   -1.74801700    0.54512800
 C                 -2.08898200   -3.44756900   -0.13164400
 C                 -3.34482400   -4.07754600   -0.04916700
 C                 -1.07359700   -4.10744300   -0.82600000
 C                 -3.56014100   -5.32460100   -0.61116200
 H                 -4.17092200   -3.58436400    0.45127200
 C                 -1.27780600   -5.36086300   -1.40644100
 H                 -0.10171000   -3.63927300   -0.91519600
 C                 -2.52500500   -5.98101300   -1.29525200
 H                 -4.52794000   -5.80929600   -0.54149800
 H                 -0.46143900   -5.83373800   -1.93719000
 C                 -3.32192800   -0.92098700   -0.15625000
 C                 -4.41996600   -0.51019800    0.61292700
 C                 -3.41490000   -0.79995300   -1.54723300
 C                 -5.56768300   -0.01010700    0.01182700
 H                 -4.39142500   -0.59397400    1.69266200
 C                 -4.56272000   -0.30933900   -2.16383400
 H                 -2.58297300   -1.10266800   -2.17456200
 C                 -5.65226900    0.08923300   -1.38145900
 H                 -6.41667700    0.30399200    0.60954800
 H                 -4.59111300   -0.23628600   -3.24333300
 C                 -2.19151300   -1.84852400    2.34894400
 C                 -2.56186600   -3.02091700    3.02232800
 C                 -2.03946800   -0.67982600    3.10460600
 C                 -2.78672200   -3.01846400    4.39248100
 H                 -2.66863200   -3.95290700    2.48073900
 C                 -2.27462700   -0.65910300    4.47802200
 H                 -1.72331800    0.23836300    2.61876200
 C                 -2.65251600   -1.83730000    5.13285300
 H                 -3.06731500   -3.92882100    4.91116500
 H                 -2.14980900    0.26903300    5.02078800
 O                 -2.83637900   -7.19709000   -1.81472400
 O                 -6.81621400    0.59296400   -1.87467300
 O                 -2.90050600   -1.93672300    6.46594100
 C                 -1.82977000   -7.91373100   -2.52987700
 C                 -6.97543400    0.68477800   -3.29019700
 C                 -2.77601500   -0.76668800    7.27377700
 H                 -3.01932400   -1.08058000    8.28636400
 H                 -1.75553500   -0.37430600    7.25017000
 H                 -3.47599600    0.01129900    6.95614800
 H                 -6.90686200   -0.29974100   -3.76152600
 H                 -7.97099600    1.09328400   -3.44885400
 H                 -6.23304500    1.35547400   -3.73118500
 H                 -2.29704500   -8.84496900   -2.84205500
 H                 -1.49905900   -7.35908000   -3.41241500
 H                 -0.97004200   -8.13407500   -1.89111200
 C                 -0.91770200    3.31390500   -0.21952200
 O                 -0.55713100    1.15468500   -0.60021500
 N                 -0.74118700    2.19425300    0.39247100
 C                 -0.79043800    3.19472800   -1.72605800
 C                 -0.74104100    1.68089900   -1.86822300
 O                 -0.77046100    0.99177700   -2.84269300
 C                 -3.32623100    3.74985300   -2.32051500
 C                 -3.86082000    3.04421900   -1.32529700
 H                 -3.28090600    2.45517700   -0.62602500
 H                 -4.93498100    3.01797000   -1.17858900
 C                  0.61980100    3.68167400   -2.18513300
 H                  0.76566000    3.40891400   -3.23167100
 H                  1.41457500    3.23046100   -1.59231000
 H                  0.69784700    4.76435400   -2.09683000
 C                 -1.18147400    4.52248600    0.58222600
 C                 -1.05618800    5.80877600    0.03939200
 C                 -1.57065700    4.39125000    1.92765500
 C                 -1.30577600    6.93426000    0.82121700
 H                 -0.75599700    5.94971300   -0.98979800
 C                 -1.81850500    5.51566300    2.70314500
 H                 -1.69026100    3.40304300    2.35407000
 C                 -1.68676400    6.79262700    2.15309200
 H                 -1.20246700    7.92139600    0.38452200
 H                 -2.12342900    5.39751600    3.73720900
 H                 -1.88609500    7.66983900    2.75904500
 C                 -4.18528600    4.54301900   -3.27515500
 H                 -4.02569300    4.22150800   -4.31044800
 H                 -3.93662100    5.60951400   -3.23796400
 H                 -5.24632500    4.43356900   -3.04597000
 C                 -1.85080700    3.85185500   -2.63419300
 H                 -1.59863400    4.91202600   -2.73365500
 H                 -1.68279700    3.43791800   -3.63640400
 
126
2-Rh   SCF Done:  E(RM06) =  -4077.15195546
 Rh                -0.19328100   -0.40335400   -1.35316900
 Cl                 0.07830200    1.51025400   -3.06247500
 P                 -1.67421800    1.02824700   -0.01761800
 C                 -1.04413300    2.73075300    0.29174800
 C                 -1.38806400    3.80492300   -0.53452900
 C                 -0.19285800    2.98838500    1.38082300
 C                 -0.91221700    5.09245800   -0.29386700
 H                 -2.04449900    3.65781500   -1.38122000
 C                  0.27932500    4.26427500    1.63602300
 H                  0.09807200    2.18915500    2.04868000
 C                 -0.07187600    5.33188300    0.79808200
 H                 -1.20989400    5.89243400   -0.95921400
 H                  0.92925100    4.45596700    2.48241600
 C                 -2.21873600    0.46280100    1.64620900
 C                 -2.57357700    1.37617900    2.65677700
 C                 -2.43984300   -0.89490200    1.88908700
 C                 -3.09586700    0.94026800    3.86279500
 H                 -2.45458000    2.44053800    2.50295000
 C                 -2.96909200   -1.34663200    3.09622800
 H                 -2.18255100   -1.62100300    1.13287600
 C                 -3.29549300   -0.42779300    4.09879000
 H                 -3.36434200    1.64823500    4.63903100
 H                 -3.11362100   -2.40906100    3.24227100
 C                 -3.28084900    1.29491600   -0.89204300
 C                 -3.32078400    1.66535800   -2.24822800
 C                 -4.49633800    1.16841500   -0.21325800
 C                 -4.52320600    1.92703500   -2.88060200
 H                 -2.40128700    1.73259000   -2.81327600
 C                 -5.71604100    1.41758500   -0.84506100
 H                 -4.51829100    0.87076100    0.82651000
 C                 -5.73657500    1.80555100   -2.18657800
 H                 -4.54830800    2.21462000   -3.92622100
 H                 -6.63074100    1.30546100   -0.27761200
 P                  1.95952800    0.09463100   -0.14057800
 C                  3.19493500   -1.26319700   -0.39548600
 C                  4.04385700   -1.25568300   -1.50904800
 C                  3.28718300   -2.35113300    0.48571200
 C                  4.96066600   -2.27802000   -1.74063500
 H                  4.00808000   -0.43664200   -2.21767500
 C                  4.19252800   -3.37894200    0.26547600
 H                  2.65543100   -2.40070500    1.36279000
 C                  5.04095300   -3.35372200   -0.84899000
 H                  5.59979400   -2.22156700   -2.61208600
 H                  4.26222400   -4.21285900    0.95519400
 C                  1.83213800    0.16258700    1.70494500
 C                  2.59132200    1.06168800    2.46243200
 C                  0.99579400   -0.73487900    2.39179800
 C                  2.53108800    1.07533300    3.85516000
 H                  3.23762600    1.78047200    1.97608200
 C                  0.93552500   -0.73492600    3.77679300
 H                  0.39524600   -1.43576700    1.82558600
 C                  1.70176100    0.16916600    4.52464400
 H                  3.13272300    1.79276900    4.39815800
 H                  0.28933000   -1.42929800    4.30229300
 C                  2.95539300    1.59539300   -0.54996700
 C                  2.34358500    2.77565700   -0.99915800
 C                  4.34027400    1.62477900   -0.32793700
 C                  3.08622500    3.92244100   -1.23583700
 H                  1.28158700    2.79614400   -1.18716000
 C                  5.09737600    2.77011900   -0.56151600
 H                  4.85451200    0.74548900    0.03871500
 C                  4.47040500    3.93293900   -1.02405700
 H                  2.60670000    4.82845600   -1.58933300
 H                  6.16363700    2.74018000   -0.37836700
 O                  5.89618800   -4.39970900   -0.97395400
 O                  5.10739500    5.10080200   -1.28994400
 O                  1.57088800    0.09106700    5.87321200
 O                 -3.80664200   -0.75262900    5.31075900
 O                 -6.85984200    2.07726400   -2.89871800
 O                  0.44445000    6.54182900    1.12644300
 C                  2.32608800    0.98787900    6.68889000
 H                  2.05914600    2.02860200    6.48582600
 H                  2.06604300    0.74121500    7.71567900
 H                  3.40046500    0.84805000    6.54166000
 C                 -4.03735800   -2.13017800    5.61362600
 H                 -4.43987200   -2.14475200    6.62368900
 H                 -4.76397000   -2.56992200    4.92532500
 H                 -3.10654700   -2.70264600    5.58360900
 C                  0.11988500    7.67050900    0.31239600
 H                  0.64059100    8.51416900    0.75921200
 H                  0.46699800    7.53019100   -0.71468600
 H                 -0.95625400    7.86329300    0.31506000
 C                  6.51939900    5.17501200   -1.08758300
 H                  6.80278200    6.18810800   -1.36338600
 H                  6.77953400    4.99662100   -0.04066300
 H                  7.04927800    4.46240800   -1.72540700
 C                 -8.12733200    1.95280600   -2.25313100
 H                 -8.86793700    2.21201100   -3.00624400
 H                 -8.29875000    0.92836000   -1.91145800
 H                 -8.21138300    2.64154500   -1.40795000
 C                  6.78843200   -4.42697900   -2.08926800
 H                  7.36650400   -5.34165900   -1.98040700
 H                  6.24028800   -4.45317200   -3.03499400
 H                  7.46311900   -3.56658000   -2.07812500
 C                 -0.86717100   -3.11128300   -0.61920500
 O                 -1.99795800   -0.95696300   -2.24957600
 N                 -0.30841800   -2.04714000   -0.21204600
 C                 -1.59296000   -3.34421400   -1.96694200
 C                 -2.50861900   -2.14097200   -2.31023800
 O                 -3.66543600   -2.33877000   -2.68237300
 C                  0.13676100   -2.18948400   -3.54426700
 C                  1.22517800   -1.68301600   -2.90559000
 H                  1.74070500   -2.28339400   -2.17189800
 H                  1.75239300   -0.83290100   -3.31862000
 C                 -2.41352500   -4.64129900   -1.99060000
 H                 -2.90596900   -4.73964600   -2.95746600
 H                 -3.19179600   -4.64139200   -1.22792900
 H                 -1.77906200   -5.51552900   -1.83301200
 C                 -0.73634500   -4.29573200    0.31988000
 C                 -1.79157000   -4.68087900    1.15629100
 C                  0.47135400   -4.99869000    0.39448000
 C                 -1.64134300   -5.74275900    2.04670200
 H                 -2.73760900   -4.15133000    1.11611600
 C                  0.61856400   -6.06825100    1.27759600
 H                  1.30430700   -4.70271600   -0.23363300
 C                 -0.43649300   -6.44259500    2.10786100
 H                 -2.46750500   -6.02307700    2.69218700
 H                  1.56152700   -6.60395900    1.31972200
 H                 -0.32108100   -7.27147500    2.79848000
 C                 -0.42509700   -1.56539000   -4.78426000
 H                 -1.51524900   -1.61876900   -4.80839700
 H                 -0.06184400   -2.13970000   -5.64616800
 H                 -0.11401100   -0.52884700   -4.89628900
 C                 -0.49270200   -3.47689400   -3.09333300
 H                  0.26907200   -4.17164600   -2.73303700
 H                 -0.97615500   -3.94727100   -3.95323600
 
126
2-Rh-1   SCF Done:  E(RM06) =  -4077.12991955
 Rh                 0.53540400   -0.96003100   -0.42598300
 Cl                 0.14465800   -0.51035700   -2.81258700
 P                  1.46207000    1.20699800    0.01401000
 C                  0.31053200    2.39874700    0.79718300
 C                  0.52429300    2.95184400    2.06388300
 C                 -0.81919100    2.82024400    0.07506100
 C                 -0.35585100    3.88665600    2.60675700
 H                  1.39181300    2.67408400    2.64683000
 C                 -1.69181800    3.75762500    0.59714200
 H                 -1.01417900    2.42511300   -0.91329600
 C                 -1.47363200    4.29693000    1.87389400
 H                 -0.15083700    4.28830500    3.59045600
 H                 -2.55999700    4.07983700    0.03510200
 C                  2.08088400    2.06584400   -1.48192000
 C                  1.91437100    3.44855700   -1.66323700
 C                  2.82452300    1.35487400   -2.43112800
 C                  2.46320900    4.09168000   -2.76189300
 H                  1.35671400    4.03534900   -0.94440500
 C                  3.38792700    1.99417500   -3.53204700
 H                  2.96736600    0.28965000   -2.30325000
 C                  3.20561500    3.37141300   -3.70780100
 H                  2.33154100    5.15861600   -2.90390500
 H                  3.95664600    1.40992700   -4.24384500
 C                  2.92410800    1.16534800    1.13341100
 C                  2.82973900    0.66220700    2.44455400
 C                  4.15460100    1.69008500    0.72408200
 C                  3.91842200    0.68725200    3.29962100
 H                  1.90034000    0.24525700    2.80368600
 C                  5.25741000    1.72041700    1.57695500
 H                  4.27437200    2.09007100   -0.27395600
 C                  5.14582500    1.21921900    2.87696600
 H                  3.83710800    0.29941800    4.30883700
 H                  6.18744200    2.13751900    1.21330400
 P                 -2.58490400   -0.47779600   -0.22194100
 C                 -3.54151300   -1.89287100   -0.96828100
 C                 -4.21016200   -2.86113200   -0.21404600
 C                 -3.53039800   -2.06114800   -2.36604200
 C                 -4.86235500   -3.94339400   -0.81064200
 H                 -4.23833900   -2.79008600    0.86590500
 C                 -4.17296800   -3.12850000   -2.97226700
 H                 -3.00845000   -1.35290900   -2.99797200
 C                 -4.85007300   -4.08295400   -2.19976900
 H                 -5.37031700   -4.66065100   -0.17868600
 H                 -4.15977000   -3.24441800   -4.05064200
 C                 -3.40096800    0.95543100   -1.09048400
 C                 -4.43674000    1.71852700   -0.54552800
 C                 -2.95586900    1.29681600   -2.38110000
 C                 -5.03652100    2.76078600   -1.25520500
 H                 -4.79077900    1.52739900    0.45874300
 C                 -3.54497800    2.32646000   -3.09938700
 H                 -2.11960100    0.76725000   -2.82237800
 C                 -4.59890800    3.06643500   -2.54672600
 H                 -5.83467100    3.32173800   -0.78593600
 H                 -3.19423300    2.58110800   -4.09381300
 C                 -3.19322800   -0.38866900    1.51450600
 C                 -2.23521300   -0.23442900    2.53150300
 C                 -4.54069600   -0.46124700    1.89656200
 C                 -2.60923300   -0.14225400    3.86451400
 H                 -1.18138500   -0.21324000    2.28102500
 C                 -4.93024600   -0.37137800    3.23104000
 H                 -5.31445900   -0.60129800    1.15071400
 C                 -3.96041600   -0.20554400    4.22775500
 H                 -1.86472300   -0.02820600    4.64491000
 H                 -5.98244300   -0.43408600    3.47712800
 O                 -5.45133200   -5.09056000   -2.88684100
 O                 -4.22736700   -0.10642900    5.55486100
 O                 -5.11276100    4.05191500   -3.32965900
 O                  3.70346800    4.09091300   -4.74393000
 O                  6.14761200    1.20240600    3.78974100
 O                 -2.38924200    5.20008800    2.30043900
 C                 -6.18173000    4.84619300   -2.81613300
 H                 -5.87698600    5.38967700   -1.91732400
 H                 -6.42521400    5.55659100   -3.60296300
 H                 -7.06057800    4.23421000   -2.59428800
 C                  4.47431500    3.41889500   -5.74155600
 H                  4.76173100    4.18645900   -6.45635700
 H                  5.37224800    2.96790200   -5.31069700
 H                  3.88342100    2.65171100   -6.24896200
 C                 -2.22924800    5.78153300    3.59611900
 H                 -3.07156900    6.45796900    3.72005600
 H                 -2.25659600    5.01758900    4.37756800
 H                 -1.29544400    6.34595800    3.66370700
 C                 -5.58584200   -0.17706600    5.98995400
 H                 -5.55332800   -0.07552000    7.07226400
 H                 -6.18102700    0.63624700    5.56592400
 H                 -6.03629100   -1.13832900    5.72803900
 C                  7.41778800    1.74615100    3.42537000
 H                  8.04830500    1.63304000    4.30407900
 H                  7.85778800    1.19789200    2.58813000
 H                  7.33504600    2.80588600    3.16969000
 C                 -6.15062000   -6.09427400   -2.15185800
 H                 -6.54143700   -6.78561400   -2.89506600
 H                 -5.48005100   -6.62997200   -1.47396300
 H                 -6.98010600   -5.66444000   -1.58317200
 C                  3.01572400   -2.30972600   -0.04817100
 O                  0.75954700   -1.36515600    1.56620800
 N                  2.42608000   -1.45490000   -0.77311500
 C                  2.41892700   -3.12151200    1.12297300
 C                  1.57243400   -2.23814700    2.07882900
 O                  1.65091500   -2.40074900    3.29351400
 C                  0.13034900   -3.75110600    0.01672400
 C                 -0.08187900   -3.27609900   -1.23492300
 H                  0.70044500   -3.29882700   -1.98213800
 H                 -1.07960800   -3.04621900   -1.58499300
 C                  3.49141700   -3.86163000    1.93474200
 H                  3.01548300   -4.41484700    2.74303500
 H                  4.20534600   -3.17098500    2.38421900
 H                  4.04363100   -4.56395100    1.30801000
 C                  4.42980200   -2.62015500   -0.49136000
 C                  5.52813500   -2.05589000    0.16789300
 C                  4.65260400   -3.43651300   -1.60567900
 C                  6.82448500   -2.31478500   -0.27273900
 H                  5.36994200   -1.40160000    1.01836300
 C                  5.95099600   -3.70189300   -2.04040300
 H                  3.80889400   -3.86059200   -2.13982300
 C                  7.04029900   -3.14270700   -1.37461800
 H                  7.66669600   -1.86563900    0.24372200
 H                  6.10865500   -4.33946900   -2.90429800
 H                  8.05048900   -3.34471800   -1.71525500
 C                 -0.98337700   -3.94949000    1.00281100
 H                 -0.74233400   -3.52759100    1.98097200
 H                 -1.12703800   -5.02591500    1.15385400
 H                 -1.92350800   -3.53065600    0.65582800
 C                  1.48576700   -4.21983800    0.47522100
 H                  2.03610800   -4.67644000   -0.35009400
 H                  1.34362900   -4.99719900    1.23023100
 
126
2-Rh-2   SCF Done:  E(RM06) =  -4077.10188654
 Rh                -1.39684100   -0.68748800    0.41397800
 Cl                -0.84275100   -0.23633700   -1.92067000
 P                  4.36293500   -0.06723800    0.25215300
 C                  4.62583100   -1.15551200   -1.21928800
 C                  5.46174300   -0.84863100   -2.29699100
 C                  3.91525800   -2.36859600   -1.26533200
 C                  5.60618700   -1.71448200   -3.38229000
 H                  6.01351100    0.08511800   -2.30588300
 C                  4.05512300   -3.24249700   -2.33302900
 H                  3.22888700   -2.63386100   -0.46695600
 C                  4.90398200   -2.92411900   -3.40226100
 H                  6.26230000   -1.43435400   -4.19662900
 H                  3.50105300   -4.17451700   -2.36562800
 C                  5.78648600   -0.49839600    1.35470600
 C                  6.89530800   -1.26931800    0.97136000
 C                  5.73586500   -0.04792400    2.67933600
 C                  7.91104200   -1.56396800    1.87062700
 H                  6.96788500   -1.64857400   -0.04177600
 C                  6.75376400   -0.32398900    3.59136300
 H                  4.88401800    0.53547100    3.01769800
 C                  7.85312100   -1.08981300    3.18776800
 H                  8.76483500   -2.16252700    1.57094300
 H                  6.67274200    0.05020900    4.60390300
 C                  4.83371900    1.61147100   -0.37022100
 C                  6.13835100    2.13233600   -0.36424400
 C                  3.80831700    2.43336200   -0.85187000
 C                  6.40238600    3.41191500   -0.83136300
 H                  6.95947200    1.53389500    0.01519600
 C                  4.05712900    3.71971000   -1.33121000
 H                  2.78431200    2.07163000   -0.85331000
 C                  5.36460400    4.21683200   -1.32217000
 H                  7.41078900    3.81204800   -0.82412900
 H                  3.22928400    4.32051400   -1.68603800
 P                 -3.01109800    1.11498400    0.16068700
 C                 -4.01270500    1.63552000    1.61360300
 C                 -3.72522800    2.77988400    2.35974700
 C                 -5.09948500    0.83647100    2.01542600
 C                 -4.48836600    3.13200200    3.47389300
 H                 -2.90435200    3.42703500    2.07572300
 C                 -5.86384000    1.17562800    3.11731600
 H                 -5.36112900   -0.05398300    1.45358100
 C                 -5.56405200    2.32837000    3.86184400
 H                 -4.23478500    4.03222000    4.01820900
 H                 -6.70455100    0.56260700    3.42230000
 C                 -4.29435800    0.89915900   -1.13078400
 C                 -5.35173200    1.81652000   -1.20629800
 C                 -4.26044600   -0.15413300   -2.05755100
 C                 -6.33674900    1.71119200   -2.18421500
 H                 -5.42154100    2.63055900   -0.49390300
 C                 -5.24135700   -0.27255900   -3.02920900
 H                 -3.47282200   -0.88995000   -2.00446900
 C                 -6.28476400    0.66023800   -3.10840200
 H                 -7.13265400    2.44393500   -2.20953200
 H                 -5.22015200   -1.09018600   -3.74125400
 C                 -2.01369900    2.58532200   -0.29139900
 C                 -0.85278600    2.87767400    0.44576600
 C                 -2.32839300    3.40133400   -1.37916000
 C                 -0.04596100    3.95158500    0.10931900
 H                 -0.56121200    2.25662400    1.28633600
 C                 -1.52133700    4.48241900   -1.73144500
 H                 -3.20574400    3.19641300   -1.98003800
 C                 -0.37015400    4.76270900   -0.98874600
 H                  0.85007800    4.17342300    0.67762400
 H                 -1.79792200    5.08556100   -2.58617900
 O                 -6.37057300    2.57416700    4.92265300
 O                  0.49210100    5.77644700   -1.25371200
 O                 -7.18940800    0.45857400   -4.09673600
 O                  8.89800400   -1.42963100    3.99073600
 O                  5.72528500    5.45588900   -1.75320700
 O                  4.96892300   -3.84097600   -4.40549700
 C                 -8.27824000    1.37406700   -4.23217400
 H                 -7.92036500    2.38685200   -4.43549100
 H                 -8.85730200    1.01707700   -5.08054400
 H                 -8.90669000    1.37686800   -3.33761200
 C                  8.89426400   -0.97839300    5.34432300
 H                  9.81146900   -1.36198400    5.78570000
 H                  8.89377700    0.11400500    5.39974500
 H                  8.03438400   -1.37334300    5.89283800
 C                  5.80673200   -3.56778300   -5.52756300
 H                  5.69930100   -4.42310000   -6.19100100
 H                  5.48900300   -2.66081600   -6.04972000
 H                  6.85400500   -3.47007500   -5.22768100
 C                  0.21303800    6.64386400   -2.35530200
 H                  1.02056800    7.37188000   -2.36761800
 H                  0.20345400    6.09340700   -3.29958900
 H                 -0.74089100    7.15979400   -2.21840500
 C                  4.71514700    6.31580300   -2.27911200
 H                  5.22653200    7.23340500   -2.56141100
 H                  4.24103000    5.87708500   -3.16171400
 H                  3.95268900    6.54063600   -1.52801200
 C                 -6.11881500    3.73043100    5.72397200
 H                 -6.87625900    3.71708400    6.50400900
 H                 -5.12569400    3.68714800    6.17894400
 H                 -6.21640400    4.64741200    5.13682200
 C                 -2.43827000   -3.30011900    0.36846800
 O                  0.18627200   -2.05195000    0.24028700
 N                 -2.69833900   -2.11269700    0.00832800
 C                 -1.22313900   -3.75946300    1.20204700
 C                  0.08764300   -3.31145100    0.49449900
 O                  0.97499000   -4.12628500    0.25233700
 C                 -1.06718700   -1.53195200    2.60871300
 C                 -2.13478500   -0.66410100    2.55390800
 H                 -3.14864800   -1.03978800    2.52038100
 H                 -2.02015800    0.35884400    2.88849900
 C                 -1.20799000   -5.26915000    1.45790500
 H                 -0.34506500   -5.52703800    2.07242900
 H                 -1.12860000   -5.83311300    0.52970800
 H                 -2.11212900   -5.59119300    1.97895100
 C                 -3.47754800   -4.30661500   -0.06391100
 C                 -3.23004700   -5.16470000   -1.14167300
 C                 -4.71570300   -4.35973600    0.58410100
 C                 -4.20505500   -6.06917500   -1.55658200
 H                 -2.27988000   -5.11905900   -1.66351900
 C                 -5.68672500   -5.27165100    0.17187900
 H                 -4.91836600   -3.68740700    1.41080200
 C                 -5.43381700   -6.12778000   -0.89855100
 H                 -4.00528900   -6.72556000   -2.39711800
 H                 -6.64235200   -5.30768200    0.68458900
 H                 -6.19125200   -6.83400200   -1.22200700
 C                  0.28475100   -1.05222600    3.06395300
 H                  1.09535900   -1.54466900    2.52749700
 H                  0.39551000   -1.29925900    4.12669100
 H                  0.39625700    0.02766600    2.95967100
 C                 -1.28742800   -3.03208900    2.58852300
 H                 -2.25392400   -3.26541000    3.04125300
 H                 -0.52346600   -3.49045800    3.22157800
 
80
2-Rh-3   SCF Done:  E(RM06) =  -2697.68970031
 Rh                 0.48189100   -1.14640800   -1.05972400
 Cl                -1.14879200   -3.03525600   -1.38180800
 P                 -1.19058500    0.05890400    0.18125900
 C                 -0.99658900   -0.63701900    1.87152500
 C                 -0.78980600    0.17868500    2.99756700
 C                 -1.06191400   -2.02467700    2.06447900
 C                 -0.64842600   -0.37369500    4.25961800
 H                 -0.74907900    1.25527100    2.89592000
 C                 -0.92330300   -2.58846100    3.32973900
 H                 -1.22713900   -2.68245600    1.21970800
 C                 -0.70883800   -1.76334600    4.44019600
 H                 -0.49398200    0.25785200    5.12734100
 H                 -0.98232000   -3.66399100    3.43354800
 C                 -2.95210100   -0.20128300   -0.25068100
 C                 -3.90247600   -0.50527600    0.73813100
 C                 -3.39813100   -0.05450400   -1.56756800
 C                 -5.24053300   -0.66248400    0.41528400
 H                 -3.59847100   -0.62339900    1.77072500
 C                 -4.74017800   -0.20489800   -1.90525300
 H                 -2.70236600    0.18757200   -2.36113600
 C                 -5.67431500   -0.51621900   -0.90976800
 H                 -5.97164700   -0.90105100    1.17956300
 H                 -5.03929600   -0.08398300   -2.93802100
 C                 -1.01591500    1.87079000    0.37804700
 C                  0.21889500    2.42479400    0.76656000
 C                 -2.09078900    2.73872800    0.16280800
 C                  0.36156700    3.79033500    0.93665500
 H                  1.07133700    1.77711200    0.92908900
 C                 -1.95440800    4.11697800    0.32155500
 H                 -3.05727800    2.34962500   -0.13219800
 C                 -0.72328900    4.65337500    0.71183400
 H                  1.31091900    4.21751500    1.23983600
 H                 -2.81176300    4.75247800    0.14302100
 O                 -0.55461900   -2.20304200    5.71105800
 O                 -6.99999400   -0.69281000   -1.12324700
 O                 -0.47867500    5.97170500    0.89788100
 C                 -0.59820400   -3.60946400    5.96455900
 C                 -7.50738900   -0.56533200   -2.45336100
 C                 -1.53976100    6.90656200    0.68765600
 H                 -1.11347100    7.88477200    0.89613900
 H                 -1.89433500    6.87573800   -0.34581300
 H                 -2.37245100    6.71831500    1.37033400
 H                 -7.05817800   -1.30613200   -3.11996900
 H                 -8.57673000   -0.74680700   -2.37734000
 H                 -7.33525800    0.43962600   -2.84748200
 H                 -0.44560700   -3.71843400    7.03564600
 H                 -1.56884900   -4.03025600    5.68965200
 H                  0.19741800   -4.13206700    5.42734900
 C                  3.11666400   -0.09516100   -0.70216000
 O                  1.95325900   -2.44228900   -1.82033200
 N                  1.95312900   -0.14677200   -0.21116300
 C                  3.41494700   -0.52988700   -2.14928900
 C                  3.12002900   -2.06240000   -2.22299600
 O                  3.97034000   -2.83066100   -2.65893600
 C                  0.95921200    0.30052300   -2.78040900
 C                  0.09080600   -0.75252600   -3.11349500
 H                  0.46263500   -1.63290600   -3.62315000
 H                 -0.96644500   -0.56145600   -3.23980500
 C                  4.84927900   -0.23555900   -2.59727400
 H                  4.97238700   -0.50283100   -3.64789800
 H                  5.57626000   -0.81149600   -2.02755200
 H                  5.08361500    0.82549800   -2.48283900
 C                  4.22402100    0.35324000    0.21270300
 C                  5.15591300   -0.56808800    0.70553900
 C                  4.31450900    1.69405000    0.59928400
 C                  6.16319300   -0.15009200    1.57209100
 H                  5.09008500   -1.61302200    0.42068000
 C                  5.32994800    2.11085900    1.45924000
 H                  3.59699800    2.41282700    0.21955000
 C                  6.25477100    1.19025200    1.94835000
 H                  6.87611400   -0.87313000    1.95413300
 H                  5.39448200    3.15469200    1.74794900
 H                  7.04201000    1.51391900    2.62094500
 C                  0.43206100    1.70035100   -2.63777600
 H                  0.61433200    2.21729000   -3.58864300
 H                  0.95841200    2.26153000   -1.86520900
 H                 -0.63703200    1.74014600   -2.43866100
 C                  2.44351700    0.22559100   -3.10528100
 H                  2.81862400    1.24738000   -3.19044200
 H                  2.54701300   -0.22587300   -4.09742500
 
123
3-Rh   SCF Done:  E(RM06) =  -3888.56808434
 Rh                 0.45958400    0.75917700   -1.32026000
 Cl                 0.01784700   -0.85462500   -3.36569400
 P                 -2.08752800    0.40868600   -0.19840800
 C                 -3.27976800   -0.91994900   -0.68103300
 C                 -4.63010100   -0.88051300   -0.30641500
 C                 -2.85555900   -1.98444100   -1.48935200
 C                 -5.53018300   -1.86513100   -0.70540300
 H                 -5.00132500   -0.06434000    0.30332900
 C                 -3.74361400   -2.96964400   -1.90065200
 H                 -1.82425100   -2.03677300   -1.81339700
 C                 -5.08747200   -2.92166600   -1.51201000
 H                 -6.56345200   -1.79431100   -0.39071900
 H                 -3.41185500   -3.79028700   -2.52730500
 C                 -3.16066800    1.90807300   -0.48919400
 C                 -3.92404000    1.99195800   -1.66864800
 C                 -3.21514200    2.99396400    0.38638700
 C                 -4.70332400    3.10248300   -1.95005800
 H                 -3.92512800    1.16997400   -2.37595500
 C                 -3.99251600    4.12348100    0.11526900
 H                 -2.65893200    2.97776400    1.31520100
 C                 -4.74411400    4.18536300   -1.05982900
 H                 -5.29445900    3.15085600   -2.85824700
 H                 -4.00319800    4.93487600    0.83185200
 C                 -2.05172100    0.32481700    1.65404800
 C                 -1.22271300    1.22419900    2.34941000
 C                 -2.78392800   -0.59698900    2.40775300
 C                 -1.16574800    1.22353600    3.73453100
 H                 -0.59160100    1.91062300    1.79681400
 C                 -2.71856000   -0.62171800    3.80258600
 H                 -3.41847800   -1.32295200    1.91531500
 C                 -1.91214300    0.29939100    4.47698400
 H                 -0.52715800    1.92211100    4.26410800
 H                 -3.29986600   -1.35888100    4.34174600
 P                  1.60315700   -1.08735800   -0.29383000
 C                  3.16453200   -1.63218500   -1.13057600
 C                  4.38607800   -1.66044400   -0.44887100
 C                  3.17373700   -1.99077800   -2.49158000
 C                  5.56815000   -2.05963500   -1.07302700
 H                  4.44222500   -1.36120000    0.58897300
 C                  4.33799100   -2.40169100   -3.11883700
 H                  2.26628100   -1.91405800   -3.07616000
 C                  5.54992100   -2.44618100   -2.41596000
 H                  6.48603500   -2.06330700   -0.49943300
 H                  4.33296200   -2.68079600   -4.16697800
 C                  0.55421000   -2.61514900   -0.24935400
 C                 -0.31632000   -2.79876500    0.83030200
 C                  0.61766900   -3.63144400   -1.21527600
 C                 -1.09080600   -3.94910200    0.96306300
 H                 -0.39415400   -2.04381200    1.60250200
 C                 -0.14844400   -4.78032200   -1.09676600
 H                  1.27722900   -3.54514600   -2.06617200
 C                 -1.01096600   -4.95274200   -0.00625500
 H                 -1.74634700   -4.04379400    1.81903300
 H                 -0.08812700   -5.56508100   -1.84291700
 C                  2.11370500   -1.02423100    1.48295000
 C                  2.56045700   -2.21108700    2.10321100
 C                  2.06659000    0.13404900    2.25491700
 C                  2.94642900   -2.22417400    3.42996800
 H                  2.60266600   -3.13783100    1.54314500
 C                  2.45189200    0.13377500    3.59836800
 H                  1.71003200    1.05245600    1.81102100
 C                  2.89170600   -1.04751900    4.19606700
 H                  3.28651900   -3.13929500    3.90227200
 H                  2.38968800    1.05656700    4.16038700
 O                  6.63308500   -2.86209600   -3.11961300
 O                  3.27587700   -1.16716900    5.49183300
 O                 -1.71595300   -6.11337800    0.01784000
 O                 -5.53854200    5.22808800   -1.42306400
 O                 -1.77421800    0.36909100    5.82918100
 O                 -5.87867000   -3.92981700   -1.96497000
 C                 -2.59767300   -6.35653300    1.11410600
 H                 -3.03600200   -7.33437000    0.92791700
 H                 -2.05439000   -6.37598800    2.06291400
 H                 -3.39075200   -5.60522500    1.15928900
 C                 -5.61642800    6.35910900   -0.55650800
 H                 -6.29545400    7.05656900   -1.04189600
 H                 -6.01780200    6.08279600    0.42265400
 H                 -4.63802700    6.83170600   -0.43131200
 C                 -7.25992200   -3.93201400   -1.60457500
 H                 -7.68471100   -4.81758900   -2.07185100
 H                 -7.38766300   -3.99633000   -0.52039200
 H                 -7.77024800   -3.04155400   -1.98205000
 C                  3.18591000   -0.02070900    6.33915300
 H                  3.51969300   -0.35244300    7.31961400
 H                  3.83561800    0.78499900    5.98687900
 H                  2.15543700    0.33902000    6.40599700
 C                 -2.51718500   -0.54181300    6.63852500
 H                 -3.59349800   -0.41939800    6.48807100
 H                 -2.23383500   -1.57811000    6.43366400
 H                 -2.26554700   -0.29520600    7.66761000
 C                  7.89922700   -2.91732500   -2.46124300
 H                  8.60406300   -3.27342800   -3.20902600
 H                  8.20801900   -1.92827900   -2.11190700
 H                  7.87821500   -3.61505400   -1.61958600
 C                  2.09336800    2.53707200   -0.50914500
 N                  1.05626000    2.07924900    0.08381600
 C                  2.19015600    1.92481400   -1.89069300
 C                  0.15128900    3.14604800   -2.66955400
 C                 -0.81012800    2.31076700   -3.11167300
 H                 -0.59426800    1.49996700   -3.79181500
 H                 -1.85120700    2.50826500   -2.89359900
 C                  3.50945600    1.32762500   -2.33381800
 H                  3.36607500    0.57888400   -3.11398700
 H                  4.05763700    0.85981100   -1.51774200
 H                  4.15521800    2.10546600   -2.76219300
 C                  2.99095300    3.56259000    0.09449200
 C                  3.98762300    4.21248900   -0.64856200
 C                  2.84130800    3.90822600    1.44912100
 C                  4.80701100    5.17427900   -0.05858300
 H                  4.12904400    3.97688900   -1.69521900
 C                  3.65976700    4.86458400    2.03776700
 H                  2.07055900    3.41923300    2.03307700
 C                  4.64878400    5.50310700    1.28563300
 H                  5.56978200    5.66618600   -0.65340400
 H                  3.52900700    5.11405600    3.08597500
 H                  5.28846700    6.24941900    1.74513500
 C                 -0.17382800    4.40277100   -1.91443200
 H                  0.08137900    5.26636200   -2.54102700
 H                  0.41470200    4.49700700   -1.00008700
 H                 -1.23234500    4.46500500   -1.65840600
 C                  1.60489700    2.85378100   -2.96848600
 H                  2.18297600    3.78528200   -3.03693300
 H                  1.69017000    2.35516100   -3.93854800
 
123
3-Rh-1   SCF Done:  E(RM06) =  -3888.55029852
 Rh                 0.33364700    1.34761500    0.14827100
 Cl                 0.34296400    1.35952400   -2.33431700
 P                  1.78588900   -1.12659200    0.02727600
 C                  1.26065300   -2.48942400   -1.11912300
 C                  1.99150100   -2.83075200   -2.26084300
 C                  0.06245600   -3.18891900   -0.88613000
 C                  1.56558000   -3.83184200   -3.13648500
 H                  2.91822700   -2.31769800   -2.48561800
 C                 -0.36378500   -4.19708400   -1.73589400
 H                 -0.55042300   -2.95228200   -0.02481600
 C                  0.38413600   -4.52935900   -2.87417100
 H                  2.16830500   -4.05573400   -4.00744500
 H                 -1.28432300   -4.73618800   -1.54027900
 C                  2.10377400   -2.02187800    1.62165200
 C                  1.95084600   -3.40352300    1.81354200
 C                  2.54471300   -1.26449500    2.71240600
 C                  2.21452500   -3.99241600    3.04306500
 H                  1.63103700   -4.03646900    0.99533900
 C                  2.82255700   -1.84000900    3.95091000
 H                  2.70204000   -0.19830300    2.59571300
 C                  2.65072400   -3.21792700    4.12549400
 H                  2.09398700   -5.06123600    3.18358800
 H                  3.16747200   -1.20948600    4.76026500
 C                  3.51621200   -0.80834800   -0.55288000
 C                  3.75195100    0.17760300   -1.52517200
 C                  4.60689400   -1.56041800   -0.10497700
 C                  5.02606800    0.39221100   -2.02998000
 H                  2.92937300    0.78221500   -1.88294100
 C                  5.89528500   -1.34678000   -0.59573200
 H                  4.46538300   -2.33186700    0.64312400
 C                  6.11127900   -0.36512700   -1.56839400
 H                  5.20621600    1.15417300   -2.78102500
 H                  6.71013000   -1.94994600   -0.21600400
 P                 -2.21921800    0.25835100    0.02694600
 C                 -3.46461600    1.45214000    0.71034900
 C                 -3.93302100    2.52308800   -0.05928300
 C                 -3.91413400    1.36530400    2.03918700
 C                 -4.81906800    3.46848100    0.45501700
 H                 -3.62287800    2.62514600   -1.09264100
 C                 -4.78481600    2.30673000    2.56999200
 H                 -3.59764100    0.54331500    2.67076400
 C                 -5.24857500    3.36822000    1.78290200
 H                 -5.16200900    4.26976500   -0.18674000
 H                 -5.12790700    2.22928300    3.59590300
 C                 -2.59200200   -1.24797200    1.05050900
 C                 -3.81427800   -1.92290400    0.94230800
 C                 -1.66463700   -1.73355900    1.98267500
 C                 -4.11296700   -3.03119400    1.73037600
 H                 -4.55859600   -1.59051500    0.22822900
 C                 -1.94637100   -2.83512500    2.77936700
 H                 -0.69866700   -1.25804100    2.08252000
 C                 -3.17603400   -3.49418800    2.66330200
 H                 -5.07051700   -3.52092200    1.60815300
 H                 -1.21915800   -3.20601900    3.49285900
 C                 -2.95515900   -0.22139700   -1.60362800
 C                 -2.14631500   -0.89631300   -2.53341000
 C                 -4.30248500   -0.03436900   -1.93213500
 C                 -2.66320600   -1.35999200   -3.73278500
 H                 -1.09820000   -1.05427100   -2.32221800
 C                 -4.83406500   -0.48630100   -3.14047900
 H                 -4.96922700    0.47140400   -1.24516200
 C                 -4.01252100   -1.15606200   -4.05187700
 H                 -2.03247900   -1.87995000   -4.44555100
 H                 -5.88181600   -0.31323500   -3.35006200
 O                 -6.10590100    4.23118400    2.38774900
 O                 -4.42193200   -1.63905700   -5.25438300
 O                 -3.36253000   -4.56026600    3.48218300
 O                  2.88132100   -3.88727400    5.28578600
 O                  7.32073800   -0.07234300   -2.11789500
 O                 -0.11881100   -5.52704900   -3.64957900
 C                 -4.59867800   -5.27256100    3.41275500
 H                 -4.74840200   -5.71164900    2.42261700
 H                 -4.52230700   -6.06594100    4.15264900
 H                 -5.44393000   -4.62448500    3.65988100
 C                  3.32815600   -3.15024000    6.42362300
 H                  3.43909000   -3.88016500    7.22229300
 H                  4.29245800   -2.67076900    6.23300600
 H                  2.59485600   -2.39517500    6.72052200
 C                  0.60339900   -5.91174900   -4.81891900
 H                  0.02859800   -6.71845200   -5.26832100
 H                  0.68231800   -5.08291700   -5.52808300
 H                  1.60368900   -6.27474700   -4.56641900
 C                 -5.78624600   -1.46039900   -5.63409700
 H                 -5.88083100   -1.91685800   -6.61681000
 H                 -6.46187800   -1.96029600   -4.93437100
 H                 -6.04443700   -0.39972200   -5.69936400
 C                  8.46448400   -0.80719000   -1.68467700
 H                  9.30420300   -0.40445500   -2.24674100
 H                  8.64380000   -0.66916800   -0.61465900
 H                  8.35864500   -1.87344100   -1.90404600
 C                 -6.61546700    5.33126100    1.63342900
 H                 -7.26883000    5.87542200    2.31156300
 H                 -5.80940600    5.98972600    1.29805900
 H                 -7.19232200    4.98738700    0.77040300
 C                  1.57107500    3.53237500   -0.16485300
 N                  2.07331800    2.36927000   -0.01904900
 C                  0.09529900    3.47719300    0.16754000
 C                  0.52693900    2.49794900    2.33826100
 C                 -0.18922700    1.33170700    2.41636400
 H                 -1.26531600    1.35507100    2.32973100
 H                  0.23535600    0.48106200    2.93557800
 C                 -0.91253600    4.18367300   -0.70632400
 H                 -1.92819700    3.96966700   -0.37811000
 H                 -0.82049300    3.89261100   -1.75280800
 H                 -0.78421600    5.27221600   -0.63387000
 C                  2.40060600    4.72994600   -0.49813900
 C                  1.96311200    5.72706300   -1.38221800
 C                  3.68442400    4.84929600    0.05829600
 C                  2.78265300    6.81122000   -1.69387200
 H                  0.99214100    5.64975100   -1.85357500
 C                  4.49906400    5.93526300   -0.24785000
 H                  4.04060300    4.08013700    0.73419000
 C                  4.04991900    6.92314800   -1.12496100
 H                  2.42903300    7.56760200   -2.38717900
 H                  5.48488700    6.01173500    0.19972500
 H                  4.68368900    7.77075100   -1.36441100
 C                  1.85847100    2.66167900    3.00408700
 H                  1.71709600    3.35498700    3.84296800
 H                  2.60420500    3.10834500    2.34760500
 H                  2.24639100    1.72636000    3.40578400
 C                 -0.09192300    3.70964000    1.67534400
 H                  0.36205400    4.64732100    2.01907500
 H                 -1.15949700    3.75530500    1.90669700
 
123
3-Rh-2   SCF Done:  E(RM06) =  -3888.56620939
 Rh                 0.47317800   -0.73308300   -1.29763500
 Cl                 0.42687200    1.12464700   -3.30586000
 P                  1.47612700    0.98937800    0.18215500
 C                  2.04536800    0.52176100    1.87627800
 C                  1.22587100   -0.28900800    2.66491800
 C                  3.20932000    1.04330700    2.47008500
 C                  1.54901200   -0.60346000    3.98378000
 H                  0.30199500   -0.67773700    2.25950700
 C                  3.54842300    0.73393700    3.77768000
 H                  3.85916800    1.70513900    1.91305900
 C                  2.72432600   -0.09826200    4.54841100
 H                  0.87976900   -1.23690300    4.55102800
 H                  4.45095300    1.13435600    4.22628300
 C                  0.45426600    2.49471900    0.52167100
 C                  0.56784900    3.19932600    1.73307400
 C                 -0.41191100    3.00134200   -0.45092600
 C                 -0.15506900    4.35978000    1.95575700
 H                  1.22030900    2.84070800    2.51892700
 C                 -1.14413200    4.17032800   -0.23898100
 H                 -0.51452200    2.48770000   -1.39800300
 C                 -1.01905700    4.86027800    0.97049800
 H                 -0.06483200    4.89884600    2.89255400
 H                 -1.80398300    4.52286900   -1.02113300
 C                  2.98495200    1.72368900   -0.59076500
 C                  4.22711100    1.06803700   -0.52792900
 C                  2.92458300    2.93047000   -1.29110200
 C                  5.35666900    1.61044300   -1.11844200
 H                  4.32284500    0.12599700   -0.00581000
 C                  4.05162500    3.48358400   -1.90079000
 H                  1.98847300    3.46654700   -1.37455400
 C                  5.28036600    2.82408000   -1.81595000
 H                  6.31321000    1.10292600   -1.05699800
 H                  3.95310000    4.42189000   -2.43130300
 P                 -2.08546600   -0.53467800   -0.32777500
 C                 -3.13982600   -2.04699600   -0.63052800
 C                 -2.71326300   -3.31417100   -0.21474200
 C                 -4.36547800   -1.97957900   -1.31521500
 C                 -3.47092900   -4.46403000   -0.43201200
 H                 -1.76479500   -3.43149100    0.29238800
 C                 -5.12732200   -3.11508900   -1.54887700
 H                 -4.73688400   -1.03005400   -1.67700000
 C                 -4.69382300   -4.37023900   -1.10422200
 H                 -3.09361500   -5.41519400   -0.07951400
 H                 -6.07119400   -3.04771300   -2.07890500
 C                 -3.18196000    0.78583800   -1.01328200
 C                 -4.30051900    1.27436700   -0.32806400
 C                 -2.96321700    1.24073100   -2.32268800
 C                 -5.16673700    2.19850600   -0.90903000
 H                 -4.51690800    0.93328100    0.67716400
 C                 -3.82260700    2.15367100   -2.91659800
 H                 -2.09803600    0.89803300   -2.87726200
 C                 -4.93181000    2.64470100   -2.21528000
 H                 -6.01587900    2.55389700   -0.33963000
 H                 -3.64747800    2.50665000   -3.92718600
 C                 -2.29785400   -0.29497000    1.50849000
 C                 -2.18366700    0.99416300    2.06034200
 C                 -2.54744500   -1.34823600    2.39343000
 C                 -2.31093200    1.21228600    3.42243200
 H                 -2.01108400    1.84732300    1.41887300
 C                 -2.66838400   -1.14536700    3.76964600
 H                 -2.67650500   -2.35798400    2.02860700
 C                 -2.54880000    0.14286400    4.29595500
 H                 -2.22680000    2.21284900    3.83165800
 H                 -2.86712000   -1.99677500    4.40789000
 O                 -5.51386500   -5.41740700   -1.37348400
 O                 -2.65166800    0.45728400    5.61373600
 O                 -5.70897700    3.53924500   -2.87772200
 O                 -1.67941800    6.00365100    1.28484100
 O                  6.44196300    3.27224500   -2.36135100
 O                  3.14396300   -0.34489300    5.81449800
 C                 -6.86366000    4.06455800   -2.22178700
 H                 -6.58985500    4.62049500   -1.32079500
 H                 -7.32598300    4.74067300   -2.93728300
 H                 -7.56901600    3.26995800   -1.96361700
 C                 -2.56938500    6.56835100    0.32100100
 H                 -2.97125600    7.46708300    0.78320800
 H                 -2.04022800    6.83647100   -0.59742800
 H                 -3.38740100    5.88164500    0.08740300
 C                  2.34486300   -1.18239900    6.65142300
 H                  2.87225200   -1.23770300    7.60087300
 H                  1.35255000   -0.75177900    6.81066500
 H                  2.24787300   -2.18653700    6.22967600
 C                 -2.93312700   -0.58795400    6.54479000
 H                 -2.98593200   -0.10815200    7.51940700
 H                 -3.88988800   -1.06889400    6.32322200
 H                 -2.13764800   -1.33826500    6.55138600
 C                  6.42143400    4.48873700   -3.10771200
 H                  7.43991500    4.63550300   -3.46023300
 H                  5.74626900    4.41697600   -3.96490900
 H                  6.12861600    5.33503600   -2.47983600
 C                 -5.11657300   -6.72431100   -0.95629500
 H                 -5.91491600   -7.39006500   -1.27581600
 H                 -4.17947500   -7.02471100   -1.43303000
 H                 -5.01075700   -6.77859500    0.13070100
 C                  2.58064700   -2.14247500   -0.92260000
 N                  2.46027100   -1.07930000   -1.62259000
 C                  1.20780200   -2.59847400   -0.49363800
 C                  0.45719500   -2.70925700   -2.82122300
 C                 -0.70989900   -2.02016900   -2.96411100
 H                 -1.58056000   -2.28134300   -2.38583100
 H                 -0.86726300   -1.38401900   -3.82642800
 C                  0.96384800   -3.07362300    0.92691900
 H                 -0.03091200   -2.81004800    1.28987700
 H                  1.68139100   -2.65316500    1.63030500
 H                  1.03619300   -4.16722100    0.98880400
 C                  3.87665500   -2.86008200   -0.74901700
 C                  3.99260800   -4.02362500    0.02501200
 C                  5.02634400   -2.37567500   -1.39803900
 C                  5.21892700   -4.67584000    0.15490200
 H                  3.12804000   -4.43226300    0.53074300
 C                  6.24768900   -3.02556300   -1.26762200
 H                  4.94255100   -1.48484800   -2.00888100
 C                  6.35070800   -4.17964100   -0.48697500
 H                  5.28602200   -5.57466300    0.75938000
 H                  7.12231100   -2.63570600   -1.77863900
 H                  7.30411000   -4.68770900   -0.38540200
 C                  1.48537100   -2.73516100   -3.91594700
 H                  1.27151900   -3.60585700   -4.54948300
 H                  2.50176000   -2.84940700   -3.54312000
 H                  1.43358900   -1.84312200   -4.54120600
 C                  0.67159400   -3.55548500   -1.58215200
 H                  1.36540200   -4.38595000   -1.76416400
 H                 -0.27532300   -3.99389900   -1.26246300
 
126
4-Rh   SCF Done:  E(RM06) =  -4077.17411319
 Rh                 0.28519800   -0.84934600    0.03733000
 Cl                 1.14189000   -1.11853300    2.53753500
 P                  1.24778800    1.40027800    0.10951300
 C                  0.96934400    2.29463600    1.69780100
 C                  2.03892500    2.77220000    2.47182400
 C                 -0.32767400    2.55685000    2.14478100
 C                  1.81330800    3.47306900    3.64622800
 H                  3.06061600    2.59455600    2.16235600
 C                 -0.57007600    3.26755600    3.31847500
 H                 -1.18147600    2.22476000    1.56854900
 C                  0.50662800    3.72841400    4.08368200
 H                  2.64286400    3.83525000    4.24345200
 H                 -1.59320400    3.44939100    3.62022300
 C                  0.86689400    2.67141100   -1.17317300
 C                  0.31311300    3.91979100   -0.84904800
 C                  1.19594300    2.43682000   -2.51477900
 C                  0.07051200    4.87260900   -1.82551700
 H                  0.06926900    4.16112300    0.17676600
 C                  0.95709600    3.38407600   -3.50683700
 H                  1.68425800    1.51561000   -2.80686600
 C                  0.37692600    4.61120700   -3.16617600
 H                 -0.35993500    5.83323600   -1.56546600
 H                  1.23147500    3.15563300   -4.52836600
 C                  3.09005700    1.27885700    0.00143800
 C                  3.78652800    0.26878000    0.68842000
 C                  3.84439200    2.24331400   -0.67870000
 C                  5.17074900    0.23444700    0.69420800
 H                  3.24398500   -0.49133600    1.23352700
 C                  5.23800000    2.21086400   -0.68905600
 H                  3.35566500    3.05064900   -1.20714000
 C                  5.91361500    1.20111500    0.00275400
 H                  5.70053800   -0.54847500    1.22417600
 H                  5.77491800    2.97835600   -1.23121500
 O                  0.39125800    4.42171800    5.24396600
 O                  0.07330600    5.59514500   -4.05070200
 O                  7.26249100    1.07229800    0.06288200
 C                 -0.91511500    4.70984100    5.74478200
 C                  0.38950400    5.39988500   -5.43119000
 C                  8.07516300    2.02690200   -0.62199500
 H                  9.10316800    1.72526900   -0.43520200
 H                  7.88108800    2.01262700   -1.69789900
 H                  7.91511500    3.03568500   -0.23191700
 H                 -0.14484600    4.53926700   -5.84175700
 H                  0.06359200    6.30514300   -5.93767900
 H                  1.46531400    5.26944000   -5.57369200
 H                 -0.76012200    5.26073300    6.66950600
 H                 -1.48091600    5.32846200    5.04289300
 H                 -1.46931300    3.79136500    5.95625700
 P                 -2.01057500   -0.42322000    0.00448500
 C                 -2.96364100   -1.63439600   -1.01221200
 C                 -3.09447900   -2.95794100   -0.56831300
 C                 -3.62559400   -1.27276200   -2.19750500
 C                 -3.84007700   -3.89306000   -1.27867000
 H                 -2.59941900   -3.27621700    0.33734800
 C                 -4.36912200   -2.19763600   -2.91455100
 H                 -3.58434700   -0.25780500   -2.56831400
 C                 -4.48225500   -3.51970900   -2.46602200
 H                 -3.91159900   -4.90270800   -0.89565800
 H                 -4.88090300   -1.90880400   -3.82575100
 C                 -2.53942300    1.20986200   -0.64359800
 C                 -3.41334000    2.03586800    0.08563900
 C                 -2.17075400    1.62185900   -1.93105700
 C                 -3.89531000    3.21743500   -0.45367100
 H                 -3.72910800    1.75590700    1.08254900
 C                 -2.66946200    2.79252600   -2.49192300
 H                 -1.49258500    1.02453400   -2.52541600
 C                 -3.53566800    3.60514200   -1.75197300
 H                 -4.56540600    3.85287100    0.11438500
 H                 -2.36346800    3.06452700   -3.49277700
 C                 -2.81886800   -0.57213500    1.64681200
 C                 -2.14740400   -0.30168200    2.83999800
 C                 -4.19215900   -0.88581000    1.71418000
 C                 -2.80343900   -0.34700400    4.06947400
 H                 -1.08944600   -0.08195800    2.83166200
 C                 -4.85287000   -0.92888800    2.92831300
 H                 -4.75292600   -1.09536300    0.81216100
 C                 -4.16425100   -0.66231300    4.12248900
 H                 -2.23906100   -0.14257500    4.96988300
 H                 -5.90819100   -1.17284400    2.97750800
 O                 -4.89815200   -0.73855500    5.25744900
 O                 -4.06585700    4.76913500   -2.19416600
 O                 -5.23084800   -4.34786000   -3.23312400
 C                 -3.76780500    5.20350400   -3.52480100
 H                 -4.11867400    4.47647500   -4.26192400
 H                 -4.30760200    6.13868300   -3.65322500
 H                 -2.69728700    5.37890300   -3.65556700
 C                 -4.25555700   -0.49395900    6.51095000
 H                 -3.85392900    0.52166000    6.55742300
 H                 -5.02987400   -0.61305400    7.26500200
 H                 -3.45538500   -1.21632600    6.69159700
 C                 -5.38752600   -5.70906300   -2.82581500
 H                 -5.87839900   -5.77576500   -1.85141100
 H                 -6.01788200   -6.17052000   -3.58221100
 H                 -4.42386800   -6.22371300   -2.79002000
 C                  2.32355200   -3.28125000   -0.88489900
 O                 -0.32035100   -2.85226000    0.26766200
 N                  2.33597700   -2.16380700   -1.51704500
 C                  1.12736400   -4.19075800   -1.17897900
 C                  0.06557900   -4.04198900   -0.04587300
 O                 -0.40726900   -5.05041400    0.47905200
 C                  1.19924500   -2.09596800   -2.47691500
 C                  0.19972200   -1.01264500   -2.03096700
 H                 -0.79576600   -1.29568700   -2.36646100
 H                  0.44636300   -0.04650000   -2.46243000
 C                  1.49438600   -5.66078700   -1.40681200
 H                  0.61990500   -6.21280100   -1.75637700
 H                  1.84844600   -6.14817700   -0.49971000
 H                  2.27541900   -5.74315900   -2.16818900
 C                  3.41358700   -3.66016200    0.04461300
 C                  3.17368200   -4.44740200    1.18141200
 C                  4.72624100   -3.24626700   -0.22360300
 C                  4.21833500   -4.79596300    2.03383200
 H                  2.16800600   -4.77757400    1.41301300
 C                  5.77169900   -3.60936600    0.61998400
 H                  4.91632900   -2.64450300   -1.10406900
 C                  5.52049000   -4.38293000    1.75362400
 H                  4.01459400   -5.39423900    2.91564400
 H                  6.78335600   -3.28986900    0.39229400
 H                  6.33513000   -4.66532000    2.41241000
 C                  1.76140100   -1.73731200   -3.86036700
 H                  0.95625800   -1.68399500   -4.59932500
 H                  2.47805600   -2.49458300   -4.19179000
 H                  2.27230500   -0.77192100   -3.83921400
 C                  0.58325000   -3.52063200   -2.46415100
 H                  0.93249900   -4.08551200   -3.33288000
 H                 -0.50646200   -3.51037000   -2.50277300
 
80
4-Rh-1   SCF Done:  E(RM06) =  -2697.71685268
 Rh                -0.72852400   -0.34992500   -1.27478300
 Cl                 0.40727500    0.31020400   -3.27419900
 P                  1.12310400    0.22299600    0.02793200
 C                  0.98011300    2.00731100    0.44444100
 C                  1.32589600    2.51996300    1.70690800
 C                  0.55044000    2.90924300   -0.53857200
 C                  1.23345400    3.87616500    1.97429600
 H                  1.67403700    1.85799000    2.49004900
 C                  0.45483000    4.27432000   -0.28020200
 H                  0.29378100    2.55425700   -1.53074200
 C                  0.79359100    4.76791400    0.98517300
 H                  1.50030200    4.26983100    2.94876400
 H                  0.11789600    4.93513100   -1.06804900
 C                  2.78332300    0.03503400   -0.73192100
 C                  3.83017300    0.90654400   -0.38742000
 C                  3.06221000   -1.01535200   -1.61044500
 C                  5.10431900    0.72739600   -0.90036900
 H                  3.65248000    1.73897100    0.28333600
 C                  4.34123700   -1.21128500   -2.12729000
 H                  2.27581100   -1.69075200   -1.92008500
 C                  5.37479300   -0.33719500   -1.77253600
 H                  5.90980000    1.40437300   -0.63827600
 H                  4.51267200   -2.03622000   -2.80630500
 C                  1.27085300   -0.64474900    1.63684600
 C                  0.29657000   -0.45836800    2.63346500
 C                  2.31879100   -1.53086600    1.89996600
 C                  0.37866300   -1.11997400    3.84486200
 H                 -0.53005000    0.21840300    2.46228400
 C                  2.40659000   -2.21473700    3.11305800
 H                  3.09080800   -1.69962500    1.15927000
 C                  1.43477900   -2.01103900    4.09694800
 H                 -0.36822700   -0.96612000    4.61572600
 H                  3.23627200   -2.89048600    3.27472100
 O                  0.73265600    6.07167900    1.34733300
 O                  6.65206200   -0.43050100   -2.21681200
 O                  1.42412700   -2.61269500    5.31077900
 C                  0.28530100    7.03360800    0.38928200
 C                  6.99424900   -1.49401100   -3.10785200
 C                  2.47144500   -3.53059700    5.63198700
 H                  2.25300200   -3.88473400    6.63660000
 H                  2.48079700   -4.37726700    4.94048300
 H                  3.44628700   -3.03593600    5.62347000
 H                  6.42622400   -1.42778900   -4.03953500
 H                  8.05364900   -1.36981000   -3.31938800
 H                  6.82726200   -2.46903500   -2.64227600
 H                  0.31656100    7.99258000    0.90090800
 H                  0.94680500    7.06283800   -0.48043300
 H                 -0.73859400    6.82481600    0.06822800
 C                 -3.14525200   -1.03539200   -0.01306200
 O                 -2.44344200   -0.71665600   -2.56065800
 N                 -1.90805800   -1.33708800    0.26933600
 C                 -3.80176100   -1.99450200   -0.97691500
 C                 -3.56031400   -1.33332500   -2.39540000
 O                 -4.42325500   -1.46493500   -3.25667200
 C                 -1.55230600   -2.70311400   -0.25872200
 C                 -0.44668300   -2.36597200   -1.26961100
 H                 -0.62161100   -2.71322600   -2.28609900
 H                  0.54799300   -2.64542700   -0.92915600
 C                 -5.27122600   -2.33540900   -0.74060200
 H                 -5.59914100   -3.06858200   -1.47828100
 H                 -5.92285900   -1.46653500   -0.83075200
 H                 -5.40824400   -2.76574300    0.25511200
 C                 -3.76031500    0.20723700    0.47816500
 C                 -4.67838500    0.93775900   -0.29516200
 C                 -3.43313700    0.67209300    1.76238500
 C                 -5.22973600    2.11582400    0.19697500
 H                 -4.94424700    0.60602400   -1.29139300
 C                 -4.00140200    1.84027100    2.25819100
 H                 -2.75513400    0.09154000    2.37473600
 C                 -4.89554100    2.56880300    1.47379900
 H                 -5.92303200    2.68028900   -0.41674600
 H                 -3.74957700    2.18056600    3.25667000
 H                 -5.33614200    3.48253800    1.85794200
 C                 -1.04610300   -3.58846200    0.87941800
 H                 -0.78585900   -4.57744400    0.49058500
 H                 -1.81891100   -3.71408900    1.64258600
 H                 -0.16143600   -3.15877600    1.35085500
 C                 -2.87155000   -3.23191800   -0.86740300
 H                 -3.32996800   -3.96011400   -0.19332400
 H                 -2.72432000   -3.72906500   -1.82707400
 
123
5-Rh   SCF Done:  E(RM06) =  -3888.59169380
 Rh                 0.18071600    1.00812800   -0.58573900
 Cl                -0.47318600    0.39639000   -3.06002000
 P                  1.40726100   -0.84151800   -0.01358200
 C                  0.33755000   -2.34467600   -0.13147700
 C                  0.45500100   -3.26922600   -1.18194800
 C                 -0.60720200   -2.60946600    0.86659600
 C                 -0.33714400   -4.40688400   -1.22573500
 H                  1.17505700   -3.11157600   -1.97427000
 C                 -1.39946000   -3.75355300    0.84258400
 H                 -0.72778400   -1.92856400    1.69867100
 C                 -1.27116300   -4.66389200   -0.21299900
 H                 -0.24077100   -5.11748200   -2.03910000
 H                 -2.10950700   -3.91707300    1.64250300
 C                  2.16656400   -1.02924300    1.66235900
 C                  2.18294800   -2.27535700    2.31867400
 C                  2.86306100    0.02555100    2.26249900
 C                  2.84159200   -2.44500100    3.52540400
 H                  1.68892300   -3.13279400    1.88262800
 C                  3.52996100   -0.13335500    3.47639300
 H                  2.90040400    0.99982800    1.79680000
 C                  3.52019600   -1.37349900    4.12217800
 H                  2.84753400   -3.40909500    4.02185700
 H                  4.04984300    0.71600800    3.90050000
 C                  2.80303000   -1.25047000   -1.14844800
 C                  2.66585600   -1.08126500   -2.53697600
 C                  3.98649900   -1.82164400   -0.66949800
 C                  3.67278700   -1.47215500   -3.40499100
 H                  1.76108800   -0.64246700   -2.94022600
 C                  5.00666200   -2.21540000   -1.53363000
 H                  4.13465200   -1.96782100    0.39260100
 C                  4.85614900   -2.04190000   -2.91280500
 H                  3.56419700   -1.34035900   -4.47609900
 H                  5.90777400   -2.64641000   -1.11723700
 O                 -1.99484800   -5.80265900   -0.34318400
 O                  4.13002000   -1.63839100    5.30302400
 O                  5.78497100   -2.38038200   -3.84149400
 C                 -2.95963900   -6.12196200    0.66204500
 C                  4.84999100   -0.58989800    5.95473800
 C                  7.00655900   -2.97997800   -3.40565200
 H                  7.58183500   -3.16429000   -4.30991400
 H                  7.56542800   -2.30794400   -2.74909800
 H                  6.82098800   -3.92715500   -2.89209800
 H                  4.18993500    0.24292700    6.21122900
 H                  5.24922200   -1.03029300    6.86534000
 H                  5.67321400   -0.22984400    5.33205600
 H                 -3.40768000   -7.06237100    0.35003800
 H                 -2.48497000   -6.25031700    1.63844200
 H                 -3.73348800   -5.35263800    0.72608400
 C                  2.84939000    2.61393900   -0.15217100
 N                  2.48428600    3.09439600    0.99166400
 C                  1.70803400    2.49695800   -1.13625600
 C                  1.03128300    3.34515800    0.92803700
 C                  0.29535200    2.02358300    1.23249300
 H                 -0.74474000    2.25036400    1.48447500
 H                  0.74274100    1.48550300    2.06802700
 C                  1.99081300    2.60754200   -2.62355700
 H                  1.08014000    2.86932500   -3.16220800
 H                  2.36329400    1.68874300   -3.07213600
 H                  2.73211200    3.39642600   -2.81130100
 C                  4.29891400    2.36297700   -0.39100400
 C                  4.79657100    1.60664700   -1.45943600
 C                  5.22966400    2.96114900    0.48057600
 C                  6.16977200    1.45129700   -1.65109600
 H                  4.12072800    1.11749800   -2.14329200
 C                  6.59687500    2.80465400    0.29220300
 H                  4.85757000    3.55892600    1.30313100
 C                  7.07610400    2.04853200   -0.77998300
 H                  6.52569200    0.85678900   -2.48597900
 H                  7.29204000    3.28062700    0.97660000
 H                  8.14391700    1.93087300   -0.93389200
 C                  0.64007800    4.47530900    1.87498500
 H                 -0.42610700    4.70360400    1.79209300
 H                  1.20268200    5.38551900    1.64602900
 H                  0.84906300    4.20164700    2.91325200
 C                  0.80708400    3.60492200   -0.57011000
 H                  1.18585800    4.59378000   -0.87372700
 H                 -0.24193300    3.57378000   -0.89020300
 P                 -2.43582100    0.44163700   -0.03120500
 C                 -3.11185700    2.15970000   -0.17880700
 C                 -2.99569000    2.82279700   -1.40748100
 C                 -3.68037400    2.86129200    0.89469200
 C                 -3.44196000    4.13205300   -1.57591200
 H                 -2.55223600    2.31013300   -2.25489900
 C                 -4.12191500    4.16905200    0.74221500
 H                 -3.78819900    2.38492900    1.86198200
 C                 -4.00967600    4.81693300   -0.49457600
 H                 -3.33994400    4.60247200   -2.54546100
 H                 -4.56440300    4.70702100    1.57364700
 C                 -3.04292800   -0.09949500    1.63308000
 C                 -4.34744800   -0.57996800    1.84217300
 C                 -2.19358900   -0.02928300    2.74151700
 C                 -4.77781900   -0.96590700    3.10167900
 H                 -5.03747700   -0.66213600    1.01099400
 C                 -2.61318400   -0.40794500    4.01717800
 H                 -1.17683000    0.32405400    2.62293100
 C                 -3.91566700   -0.88108600    4.20485500
 H                 -5.78436600   -1.33956900    3.25562000
 H                 -1.91704800   -0.33639800    4.84291500
 C                 -3.52001900   -0.49609000   -1.19611800
 C                 -3.07638000   -1.71453900   -1.71544600
 C                 -4.79771400   -0.04906300   -1.57395200
 C                 -3.87059000   -2.48089800   -2.56757200
 H                 -2.08866400   -2.07806600   -1.46745800
 C                 -5.59622800   -0.79632700   -2.42690300
 H                 -5.17645900    0.89676200   -1.20461300
 C                 -5.14104600   -2.02266500   -2.93076400
 H                 -3.48328900   -3.41859600   -2.94471200
 H                 -6.58082300   -0.44600500   -2.71748600
 O                 -5.99507100   -2.68041800   -3.75852600
 O                 -4.43114700   -1.28201300    5.39466100
 O                 -4.47534500    6.09294100   -0.54431900
 C                 -3.60155700   -1.22350500    6.55573000
 H                 -3.28339500   -0.19834700    6.76413800
 H                 -4.21743400   -1.58546300    7.37572200
 H                 -2.72386500   -1.86663600    6.44806600
 C                 -5.58218500   -3.92794900   -4.31629600
 H                 -5.39244700   -4.66902800   -3.53480200
 H                 -6.41047300   -4.26120100   -4.93753200
 H                 -4.68808900   -3.80947000   -4.93464000
 C                 -4.38376400    6.80812600   -1.77647600
 H                 -4.95752500    6.31468800   -2.56594000
 H                 -4.80971500    7.78931900   -1.57938200
 H                 -3.34338800    6.92051600   -2.09403800
 
126
A-Rh   SCF Done:  E(RM06) =  -4077.14507670
 Rh                -0.17641500    0.09166900   -1.33260800
 P                  1.13741600    1.76276400   -0.19820400
 P                  0.35326600   -1.86317000   -0.02365000
 C                  0.45062100    3.45832200   -0.47737200
 C                  0.83183300    4.19656500   -1.61275500
 C                  0.33199300    5.46672700   -1.84203700
 C                 -0.58028600    6.04483200   -0.94722900
 C                 -0.97382100    5.32410900    0.18339100
 C                 -0.45674700    4.04715800    0.40647100
 C                  2.86433800    1.93321100   -0.79879400
 C                  3.65551900    3.03978500   -0.43239900
 C                  4.95113900    3.17955600   -0.89714300
 C                  5.50325700    2.22008400   -1.76080400
 C                  4.72546400    1.12665400   -2.15303300
 C                  3.42219100    0.99760500   -1.67347700
 C                  1.13145000   -3.07139500   -1.18485900
 C                  1.95334500   -4.08858100   -0.67723900
 C                  2.54389500   -5.03476100   -1.50958000
 C                  2.32955100   -4.97418700   -2.89203800
 C                  1.51241800   -3.96206600   -3.41258100
 C                  0.91983500   -3.02978500   -2.57458000
 C                 -1.04825800   -2.73933900    0.75981100
 C                 -1.30940500   -4.09708800    0.51411400
 C                 -2.31936200   -4.75922900    1.19315300
 C                 -3.09700500   -4.08415500    2.14420800
 C                 -2.85280500   -2.72881900    2.39310600
 C                 -1.84273200   -2.06995300    1.69638300
 H                  0.26411300   -2.28360300   -2.99994400
 H                  1.34849200   -3.92481700   -4.48397100
 H                  3.16569600   -5.80421500   -1.07080700
 H                  2.14419400   -4.15703400    0.38671200
 H                 -0.72087200   -4.64497300   -0.21124900
 H                 -2.52358300   -5.80681700    1.00172100
 H                 -3.44044100   -2.17696500    3.11484600
 H                 -1.68051000   -1.01785300    1.89204600
 H                 -1.66992200    5.73920500    0.90059100
 H                  0.63645100    6.03385900   -2.71489900
 H                  1.52988500    3.77690400   -2.32399700
 H                 -0.77188300    3.52622600    1.30063900
 H                  3.25077700    3.81122100    0.21225500
 H                  2.84324300    0.15030200   -2.01867200
 H                  5.11044800    0.37728700   -2.83202800
 H                  5.55603700    4.03269200   -0.61099100
 C                  1.63237000   -1.78714400    1.30013200
 C                  2.94938600   -1.43385900    0.95476700
 C                  1.38447500   -2.17223500    2.61920200
 C                  3.96972400   -1.47287500    1.88659700
 H                  3.19277900   -1.14497600   -0.06027000
 C                  2.40462900   -2.21472100    3.57058800
 H                  0.38919000   -2.46566300    2.92713600
 C                  3.70802000   -1.86524100    3.20862000
 H                  4.98425500   -1.20579500    1.61258000
 H                  2.16628600   -2.52546000    4.57942600
 C                  1.20746100    1.65517400    1.63899400
 C                  2.36827500    1.89981900    2.37630400
 C                  0.01726100    1.40421600    2.34601000
 C                  2.35291800    1.92718900    3.77088700
 H                  3.31363500    2.06641900    1.87697300
 C                 -0.00989600    1.43074200    3.73073300
 H                 -0.89226000    1.19230600    1.79587900
 C                  1.15704000    1.70264600    4.45908900
 H                  3.27736600    2.11940900    4.29972300
 H                 -0.93079000    1.24317900    4.27208800
 Cl                -0.04109800    1.51420100   -3.37412800
 C                 -2.94453600    0.62046400   -0.74378700
 O                 -1.43555100   -1.15347500   -2.43988100
 N                 -1.76683500    0.63572100   -0.27268400
 C                 -3.47670800    0.21725200   -2.13752400
 C                 -2.58614100   -0.80086400   -2.91334300
 O                 -3.03668100   -1.26013100   -3.96116200
 C                 -5.27994100   -1.64867400   -1.47043200
 C                 -4.40413400   -2.51492600   -0.96171500
 H                 -3.33829900   -2.32904900   -0.93524600
 H                 -4.73391200   -3.45849000   -0.53841600
 C                 -3.54709900    1.52151700   -2.98504100
 H                 -3.84128000    1.26410000   -4.00376600
 H                 -2.58481300    2.02687300   -3.02352400
 H                 -4.29507000    2.20446700   -2.57684600
 C                 -3.93291800    1.26757400    0.21717400
 C                 -4.06605500    2.66109100    0.23055000
 C                 -4.67910000    0.50569500    1.12304600
 C                 -4.94826900    3.27981800    1.11554900
 H                 -3.46979000    3.26506700   -0.44369500
 C                 -5.55614900    1.12711500    2.01125800
 H                 -4.57771500   -0.57237200    1.12757600
 C                 -5.69764500    2.51449500    2.00763200
 H                 -5.04263400    4.36093800    1.11095700
 H                 -6.12805000    0.52395300    2.70920600
 H                 -6.38170000    2.99556000    2.69903300
 C                 -6.76071800   -1.94431600   -1.48218800
 H                 -7.16242800   -1.91203600   -2.50143600
 H                 -7.31679300   -1.19540200   -0.90637500
 H                 -6.98156300   -2.92750400   -1.06209700
 C                 -4.93461800   -0.32009400   -2.10280500
 H                 -5.56885000    0.44968300   -1.64957300
 H                 -5.25713300   -0.37264000   -3.14755200
 O                  4.77450800   -1.87506000    4.04570200
 O                  2.86007700   -5.83614500   -3.79266500
 O                 -4.05698700   -4.82046100    2.75649000
 O                  1.02605300    1.71719900    5.81004100
 O                 -1.01039600    7.29377600   -1.26009300
 O                  6.77651000    2.44683100   -2.16175700
 C                 -4.88534400   -4.19246700    3.73707000
 H                 -5.46123700   -3.37185000    3.30127600
 H                 -5.56459900   -4.96649400    4.08632100
 H                 -4.29221800   -3.82182900    4.57737200
 C                  4.58115300   -2.28719700    5.40013700
 H                  5.56027200   -2.22306800    5.86897500
 H                  3.88402700   -1.62453400    5.91993200
 H                  4.21890600   -3.31744600    5.45206300
 C                  3.69416900   -6.89683100   -3.32181300
 H                  3.99461600   -7.44933300   -4.20888900
 H                  4.58192600   -6.50701800   -2.81685600
 H                  3.14667000   -7.56028000   -2.64714100
 C                  2.17439000    2.00813900    6.60786000
 H                  1.82950600    1.98460700    7.63902400
 H                  2.95576100    1.25603100    6.46842700
 H                  2.57382500    3.00009900    6.37985200
 C                  7.39513000    1.51246300   -3.04949000
 H                  6.85451000    1.45086900   -3.99752100
 H                  8.39682000    1.89633300   -3.22710400
 H                  7.45964000    0.52002000   -2.59569800
 C                 -1.93688700    7.93868800   -0.38566300
 H                 -1.51030900    8.07678500    0.61170100
 H                 -2.13527100    8.91030200   -0.83225300
 H                 -2.87074700    7.37467400   -0.31148800
 
126
A-Rh-1   SCF Done:  E(RM06) =  -4077.13718829
 Rh                 0.08243300    0.26878300   -0.06742400
 Cl                 0.40719400    0.86368100   -2.43583500
 P                  2.57407200    0.00280800    0.02312100
 C                  3.23917200   -1.49596200   -0.80522800
 C                  4.07319100   -2.42520100   -0.16236400
 C                  2.86448000   -1.75618500   -2.13002100
 C                  4.52663300   -3.55619700   -0.82500200
 H                  4.37683300   -2.27440500    0.86591700
 C                  3.32401500   -2.88163000   -2.80872700
 H                  2.19983800   -1.07293600   -2.64473600
 C                  4.16321400   -3.79317800   -2.15741300
 H                  5.17072400   -4.27097200   -0.32488300
 H                  3.01422300   -3.03852800   -3.83374300
 C                  3.44366200    0.12734200    1.64434000
 C                  4.85179900    0.16675000    1.69092000
 C                  2.74276800    0.29538500    2.84044600
 C                  5.52187300    0.33094800    2.88931500
 H                  5.43330200    0.07521900    0.78031900
 C                  3.40881400    0.46880500    4.05571200
 H                  1.66108700    0.30465000    2.83537800
 C                  4.80514600    0.47993700    4.08833700
 H                  6.60550700    0.35559400    2.92336700
 H                  2.82549500    0.59382300    4.95874700
 C                  3.33071100    1.43538200   -0.85442600
 C                  4.30090300    1.31637600   -1.85749900
 C                  2.94466800    2.71804600   -0.45387400
 C                  4.86198100    2.44497800   -2.43965300
 H                  4.62668500    0.33862000   -2.19136800
 C                  3.50021800    3.85809800   -1.02789800
 H                  2.19358500    2.84276300    0.31999500
 C                  4.46780900    3.72580200   -2.03192100
 H                  5.61385000    2.35407500   -3.21598000
 H                  3.17253900    4.83247000   -0.68959100
 O                  4.66490100   -4.92145900   -2.71955600
 O                  5.55401900    0.63561300    5.20798500
 O                  5.07542900    4.76555500   -2.66076400
 C                  4.34098400   -5.21404500   -4.08019200
 C                  4.88793000    0.80044300    6.46109900
 C                  4.71452700    6.09618700   -2.28998200
 H                  5.31933000    6.74984100   -2.91432900
 H                  3.65517900    6.28779300   -2.48199700
 H                  4.93857700    6.28924400   -1.23719200
 H                  4.27337100   -0.07166900    6.69993900
 H                  5.67731600    0.90212000    7.20212800
 H                  4.26707800    1.70036100    6.46351800
 H                  4.85428100   -6.14478900   -4.31024800
 H                  3.26417700   -5.35015100   -4.21098200
 H                  4.69699000   -4.42648900   -4.74979600
 P                 -2.19579000    1.16622500   -0.27115700
 C                 -2.01668700    2.99927300   -0.13301700
 C                 -2.89041800    3.77542300    0.64986600
 C                 -0.99929900    3.66413500   -0.83061000
 C                 -2.74890200    5.15160600    0.72991500
 H                 -3.69363800    3.30500600    1.20207800
 C                 -0.84843100    5.04729800   -0.75708000
 H                 -0.31306300    3.10300000   -1.45191900
 C                 -1.72501300    5.80362900    0.02857700
 H                 -3.42773800    5.74500300    1.33252500
 H                 -0.04778100    5.51668700   -1.31402000
 C                 -3.45968200    0.77788100    1.00007000
 C                 -4.77095500    0.40846900    0.65800500
 C                 -3.14279900    0.91204400    2.35734000
 C                 -5.72540300    0.18438500    1.63784500
 H                 -5.05386700    0.29686100   -0.38135400
 C                 -4.09420600    0.69160600    3.34880500
 H                 -2.13477600    1.17092100    2.65287100
 C                 -5.39750500    0.32468900    2.99321900
 H                 -6.73750100   -0.10151800    1.37324400
 H                 -3.80483600    0.79792500    4.38609100
 C                 -3.03659800    0.86613700   -1.86781500
 C                 -3.85196200    1.83569900   -2.47256500
 C                 -2.90581700   -0.37911800   -2.48796900
 C                 -4.52102100    1.56074300   -3.65500000
 H                 -3.96615500    2.81436200   -2.02020700
 C                 -3.57966300   -0.66890100   -3.67281700
 H                 -2.24958900   -1.12668600   -2.05774700
 C                 -4.39462800    0.30355700   -4.26422600
 H                 -5.14917700    2.30794500   -4.12737300
 H                 -3.45120500   -1.64314700   -4.12637000
 O                 -1.66873200    7.15039000    0.17362800
 O                 -6.39893600    0.08215100    3.87560000
 O                 -5.09000500    0.13144000   -5.41689200
 C                 -0.64789200    7.87343800   -0.51667200
 C                 -6.12689500    0.20107100    5.27316300
 C                 -4.99750700   -1.12291900   -6.09374100
 H                 -5.62622000   -1.02748800   -6.97599000
 H                 -3.96915900   -1.33256400   -6.40011900
 H                 -5.36912500   -1.93912600   -5.46822900
 H                 -5.81849900    1.21777600    5.53124600
 H                 -7.06289400   -0.03233300    5.77525300
 H                 -5.35744000   -0.50878300    5.58823500
 H                 -0.79809900    8.91758800   -0.25261000
 H                  0.34767300    7.55569600   -0.19549700
 H                 -0.74186700    7.75401300   -1.59931100
 C                 -0.43356800   -2.56248500    0.28689900
 O                 -0.25654800   -0.11261700    1.91026700
 N                 -0.33658400   -1.60154200   -0.53395300
 C                 -0.25709800   -2.59776600    1.81964800
 C                 -0.45486600   -1.23142700    2.53959400
 O                 -0.69456800   -1.24254300    3.74449800
 C                 -2.61672600   -3.69378100    2.44707100
 C                 -3.36272400   -2.72327100    1.92325500
 H                 -2.93992100   -1.83324100    1.47621700
 H                 -4.44656800   -2.78127800    1.92845100
 C                  1.22038400   -2.98663400    2.12503000
 H                  1.38441800   -2.95937200    3.20360000
 H                  1.92684200   -2.30738800    1.65611500
 H                  1.43500500   -3.99726300    1.77700600
 C                 -0.66052200   -3.88424800   -0.43390100
 C                  0.41819100   -4.73120900   -0.71780400
 C                 -1.93506900   -4.23826100   -0.89104800
 C                  0.21947800   -5.92253600   -1.41492200
 H                  1.42162900   -4.45276200   -0.41805300
 C                 -2.13197600   -5.42925900   -1.58827000
 H                 -2.77393600   -3.58224300   -0.69562400
 C                 -1.05686000   -6.27851700   -1.84758900
 H                  1.06741300   -6.56575300   -1.62701600
 H                 -3.12731200   -5.68978700   -1.93381400
 H                 -1.21075400   -7.20440100   -2.39206300
 C                 -3.24279700   -4.91777900    3.07091500
 H                 -2.92073900   -5.04052100    4.11138400
 H                 -2.93834700   -5.82880800    2.54273900
 H                 -4.33322300   -4.86680000    3.05737800
 C                 -1.10742100   -3.70363100    2.49744800
 H                 -0.76737500   -4.66853100    2.10389500
 H                 -0.81635600   -3.70887600    3.55235800
 
126
A-Rh-2   SCF Done:  E(RM06) =  -4077.13299480
 Rh                 0.45134900    0.45857500   -0.67323000
 P                 -2.07880400    1.08748500   -0.21213300
 P                  0.74027900   -1.71554700    0.02196900
 C                 -2.28850400    2.79545000   -0.89902400
 C                 -1.56739100    3.21048300   -2.03310900
 C                 -1.72801700    4.48357600   -2.55908300
 C                 -2.61428200    5.39209500   -1.96468900
 C                 -3.33791800    4.99766900   -0.83396700
 C                 -3.16923900    3.71467200   -0.31660200
 C                 -2.69431900    1.29909900    1.51409300
 C                 -3.99444900    0.95212300    1.91473200
 C                 -4.42906300    1.18373100    3.21174500
 C                 -3.57744400    1.78237200    4.14970900
 C                 -2.28217600    2.14412000    3.76253300
 C                 -1.85397600    1.89837400    2.45956700
 C                  2.41224100   -2.07043100    0.67106200
 C                  2.60418100   -2.52318800    1.98049200
 C                  3.86839800   -2.87785100    2.44804500
 C                  4.97290800   -2.79202000    1.59537400
 C                  4.79024900   -2.34490400    0.27696200
 C                  3.53452600   -1.98368000   -0.17495700
 C                  0.44619700   -2.98714500   -1.26062200
 C                  1.35502500   -4.03662300   -1.48190200
 C                  1.07692600   -5.03766000   -2.39864200
 C                 -0.12523900   -5.02766500   -3.11878900
 C                 -1.04621500   -3.99504700   -2.89870300
 C                 -0.75289700   -2.99043900   -1.98347500
 H                  3.42246100   -1.61777900   -1.18647600
 H                  5.65408600   -2.28288200   -0.37517600
 H                  3.97145300   -3.22153500    3.46885300
 H                  1.76515000   -2.61602300    2.65759200
 H                  2.28551800   -4.08572300   -0.93279000
 H                  1.78126500   -5.84408500   -2.56889500
 H                 -1.98415600   -3.95612600   -3.43686900
 H                 -1.47553700   -2.19876500   -1.84372800
 H                 -4.03073000    5.67257400   -0.34813100
 H                 -1.16986100    4.79688900   -3.43464200
 H                 -0.88506000    2.52775200   -2.52484100
 H                 -3.73991400    3.43869800    0.56188900
 H                 -4.68074600    0.49822900    1.21054700
 H                 -0.83913200    2.16622500    2.19434300
 H                 -1.59632900    2.60688000    4.46060900
 H                 -5.43315400    0.91138600    3.51854700
 C                 -0.40209000   -2.14078200    1.38451600
 C                 -0.53461100   -1.28685500    2.49516700
 C                 -1.08281800   -3.36453100    1.39847400
 C                 -1.31573300   -1.65420400    3.57615600
 H                 -0.02212700   -0.33393300    2.50507100
 C                 -1.87681100   -3.73744600    2.48027600
 H                 -0.99628600   -4.04885300    0.56430200
 C                 -1.99554900   -2.88200500    3.58198100
 H                 -1.42474800   -0.99507400    4.42952000
 H                 -2.38656300   -4.69151900    2.45216800
 C                 -3.40204800    0.10416200   -1.03463600
 C                 -3.64934100   -1.20616700   -0.60965600
 C                 -4.15546100    0.59896000   -2.11001100
 C                 -4.61972400   -2.00147300   -1.21727000
 H                 -3.09003200   -1.62529700    0.22007200
 C                 -5.11721600   -0.18529400   -2.73027100
 H                 -3.99449000    1.60834200   -2.46942000
 C                 -5.36129200   -1.49267000   -2.28968800
 H                 -4.78210800   -3.00630000   -0.84941000
 H                 -5.69739600    0.20072000   -3.56132900
 Cl                -0.16933100    0.03889500   -2.99760100
 C                  3.06204100    1.56538600   -0.87143300
 O                  1.00525700    1.11707400    1.17475200
 N                  2.36266000    0.59054100   -1.28376800
 C                  2.75953900    2.61128100    0.24220700
 C                  1.79713700    2.13248400    1.36397100
 O                  1.76980800    2.75863600    2.42029300
 C                  4.92884500    2.25510900    1.74169000
 C                  4.66164100    0.98579000    2.04960100
 H                  3.77837400    0.46462600    1.70048700
 H                  5.34101100    0.40564200    2.66685500
 C                  2.06424600    3.83735700   -0.42315900
 H                  1.81805700    4.57519700    0.34317000
 H                  1.14229500    3.56468100   -0.94114700
 H                  2.73003100    4.31311300   -1.14533200
 C                  4.31655300    1.79534500   -1.70405000
 C                  4.25010400    2.61897000   -2.83547000
 C                  5.52140700    1.14327000   -1.41840000
 C                  5.36811500    2.80674300   -3.64759200
 H                  3.31563100    3.10475700   -3.09516100
 C                  6.63765400    1.32748000   -2.23373400
 H                  5.58511600    0.49297900   -0.55529000
 C                  6.56783800    2.16358300   -3.34754500
 H                  5.29627600    3.44921500   -4.51944900
 H                  7.56369700    0.81230500   -1.99812000
 H                  7.43781000    2.30594400   -3.98034800
 C                  6.17966600    2.93600000    2.24235200
 H                  5.93652200    3.83840300    2.81499800
 H                  6.81259200    3.25994900    1.40798900
 H                  6.77211500    2.27838900    2.88146500
 C                  4.05199400    3.15728400    0.90163500
 H                  4.67297000    3.60266100    0.11664400
 H                  3.74886300    3.99471900    1.53760100
 O                 -2.73270200   -3.14543800    4.68570300
 O                  6.24261000   -3.11012100    1.94143600
 O                 -0.30394900   -6.04689100   -3.99105800
 O                 -6.32636600   -2.17667400   -2.95780600
 O                 -2.69837800    6.61375000   -2.54955600
 O                 -4.09500300    1.96629400    5.39214900
 C                 -1.50260100   -6.08802500   -4.76941900
 H                 -1.58991600   -5.20382800   -5.40590300
 H                 -1.41710800   -6.97600700   -5.39107300
 H                 -2.38571400   -6.17349400   -4.13092400
 C                 -3.44648600   -4.38201400    4.76091200
 H                 -3.95295900   -4.36942800    5.72293700
 H                 -4.18620700   -4.46019500    3.96006500
 H                 -2.76391700   -5.23473100    4.71898900
 C                  6.49913300   -3.57628000    3.26843200
 H                  7.56942700   -3.76311500    3.31125700
 H                  6.23038900   -2.82071700    4.01107700
 H                  5.95805900   -4.50399700    3.47223300
 C                 -6.62289300   -3.51389600   -2.55508500
 H                 -7.41325100   -3.85314600   -3.22075200
 H                 -5.75075500   -4.16440500   -2.66523300
 H                 -6.97855800   -3.54786000   -1.52149400
 C                 -3.27419700    2.56627500    6.39476400
 H                 -2.97795700    3.58003300    6.11131400
 H                 -3.88778000    2.60617200    7.29192000
 H                 -2.38251700    1.96422000    6.59025700
 C                 -3.58253200    7.58464900   -1.98741000
 H                 -3.30294800    7.82646700   -0.95840400
 H                 -3.47858800    8.47111000   -2.60876200
 H                 -4.61985000    7.24000800   -2.01588300
 
123
B-Rh   SCF Done:  E(RM06) =  -3888.55414207
 Rh                -0.43790400    0.40425000   -1.13326700
 P                  2.39132000    0.34394900   -0.24804300
 P                 -1.60858200   -1.23208800    0.04282400
 C                  3.03801100    1.99768700   -0.80096800
 C                  3.31588800    2.18435500   -2.16822700
 C                  3.74581700    3.40756700   -2.65555700
 C                  3.90461900    4.50004700   -1.78919200
 C                  3.62625400    4.33636100   -0.43083900
 C                  3.19839200    3.09406600    0.04739600
 C                  3.75059900   -0.74628500   -0.86249100
 C                  5.11268200   -0.42373500   -0.70852900
 C                  6.10604500   -1.25472600   -1.19784300
 C                  5.77050400   -2.43812900   -1.87536800
 C                  4.42428000   -2.76049200   -2.06405900
 C                  3.43402900   -1.91390100   -1.56029700
 C                 -2.35972900   -2.51569400   -1.03201300
 C                 -2.45667200   -3.85225300   -0.63415500
 C                 -3.09246900   -4.80271300   -1.43225900
 C                 -3.65522600   -4.41659900   -2.65388100
 C                 -3.56888000   -3.07617300   -3.05881600
 C                 -2.92701600   -2.14447100   -2.26062400
 C                 -2.96061600   -0.77046200    1.19977700
 C                 -4.20554500   -1.42165700    1.17407200
 C                 -5.19645700   -1.10485100    2.08896900
 C                 -4.97397000   -0.12683600    3.06849000
 C                 -3.73842900    0.52870000    3.11037500
 C                 -2.74951400    0.20452200    2.18277700
 H                 -2.83589300   -1.12212900   -2.60210000
 H                 -3.99863700   -2.79250900   -4.01319700
 H                 -3.14084800   -5.82865400   -1.09121900
 H                 -2.03672500   -4.17289000    0.31188800
 H                 -4.41028600   -2.18133900    0.43078900
 H                 -6.15650900   -1.60851400    2.06396700
 H                 -3.53145200    1.28524900    3.85620000
 H                 -1.80610900    0.73200300    2.22256500
 H                  3.73987700    5.15569500    0.26740600
 H                  3.96699200    3.54142600   -3.70905400
 H                  3.20794100    1.35716600   -2.86305900
 H                  2.99765200    2.99604100    1.10789600
 H                  5.40113300    0.49478800   -0.20925900
 H                  2.39640200   -2.15891000   -1.74870400
 H                  4.13078600   -3.65097900   -2.60490900
 H                  7.15449400   -1.00514900   -1.07508400
 C                 -0.43623300   -2.18711400    1.09208600
 C                  0.56444400   -2.93886100    0.45043000
 C                 -0.48794500   -2.21840700    2.48675600
 C                  1.47566700   -3.68408100    1.17648800
 H                  0.61767700   -2.94857200   -0.63193900
 C                  0.42898300   -2.96106400    3.23170800
 H                 -1.25229900   -1.66882800    3.02068900
 C                  1.42192200   -3.69684900    2.57932900
 H                  2.24424000   -4.26459300    0.67881400
 H                  0.35273500   -2.95564500    4.31116000
 C                  2.60876400    0.41034600    1.58529500
 C                  3.67670500   -0.15999000    2.28235300
 C                  1.61109700    1.06538000    2.33256200
 C                  3.77346000   -0.07287700    3.67285300
 H                  4.45280600   -0.69631400    1.75038100
 C                  1.70521700    1.17272300    3.71171000
 H                  0.74896100    1.48963800    1.82721600
 C                  2.78890300    0.60515700    4.39685600
 H                  4.61648300   -0.53533300    4.17004800
 H                  0.93793800    1.68308200    4.28431300
 Cl                 0.11893100   -1.06117400   -3.14515100
 C                 -1.69311500    2.52766800   -0.52230100
 N                 -0.97418100    1.81097100    0.25597100
 C                 -1.62730200    1.93614500   -1.91613000
 C                 -4.21202700    1.63369000   -2.44769200
 C                 -4.57608600    1.23069500   -1.23149500
 H                 -3.86331300    1.04338800   -0.44126800
 H                 -5.62230200    1.08253700   -0.98036400
 C                 -0.32835600    2.35392300   -2.57372900
 H                 -0.30712000    2.16763500   -3.64613800
 H                  0.56592700    1.80732600   -2.14172900
 H                 -0.04369500    3.38744400   -2.35350700
 C                 -2.37283800    3.78965100   -0.12854000
 C                 -2.54014500    4.83632500   -1.04620300
 C                 -2.83028400    3.96655800    1.18507600
 C                 -3.14453700    6.03057900   -0.65843400
 H                 -2.18895500    4.72929600   -2.06674200
 C                 -3.44053400    5.15631400    1.56976300
 H                 -2.70859500    3.15974700    1.89718000
 C                 -3.59836200    6.19412800    0.64958500
 H                 -3.25881100    6.83402200   -1.37881900
 H                 -3.79730800    5.27443900    2.58794600
 H                 -4.07381200    7.12211400    0.94978000
 C                 -5.23134800    1.91229800   -3.52603400
 H                 -5.01980000    1.33686300   -4.43461100
 H                 -5.21408800    2.96892800   -3.81701600
 H                 -6.24343200    1.66832800   -3.19800500
 C                 -2.78567500    1.85553400   -2.89673300
 H                 -2.77932200    2.79642600   -3.46951200
 H                 -2.53344500    1.09745500   -3.65056300
 O                  2.36226100   -4.45093000    3.20154500
 O                 -4.29130000   -5.25511600   -3.51026700
 O                 -6.00366100    0.10789000    3.91921500
 O                  2.78629500    0.75808700    5.74864300
 O                  4.32980200    5.65845900   -2.36342200
 O                  6.81654800   -3.18483700   -2.31474400
 C                 -5.84400400    1.10060300    4.93399800
 H                 -5.66564600    2.08701800    4.49755500
 H                 -6.78218400    1.11181200    5.48384900
 H                 -5.02686900    0.84467400    5.61374100
 C                  2.36039400   -4.51081300    4.62880200
 H                  3.19229000   -5.15809300    4.89650300
 H                  2.51293500   -3.52075500    5.06669400
 H                  1.42841800   -4.94111300    5.00554900
 C                 -4.39566500   -6.63774400   -3.16778000
 H                 -4.92531200   -7.10593100   -3.99420600
 H                 -3.40809900   -7.09486700   -3.06206100
 H                 -4.96611900   -6.77565100   -2.24518000
 C                  3.87266800    0.21679700    6.49912800
 H                  3.66723400    0.46668300    7.53767900
 H                  3.92793300   -0.87024900    6.39122200
 H                  4.82462800    0.66382900    6.19893300
 C                  6.54469500   -4.39682100   -3.01888700
 H                  5.98719600   -4.20446700   -3.93966400
 H                  7.51657800   -4.81816900   -3.26558900
 H                  5.98996300   -5.10235400   -2.39407000
 C                  4.51476800    6.80295200   -1.53183000
 H                  5.27266200    6.61878100   -0.76491000
 H                  4.85527100    7.59655900   -2.19324900
 H                  3.57737900    7.10413300   -1.05531100
 
123
C-Rh   SCF Done:  E(RM06) =  -3888.58967081
 Rh                 0.26351600   -0.91451400   -0.34438800
 Cl                 0.48486700   -1.93593700    2.06859400
 P                  1.65375400    0.86646800    0.16160500
 C                  1.34413300    1.52480200    1.85848700
 C                  2.37701400    1.61964100    2.80648100
 C                  0.07610500    1.97492600    2.23521300
 C                  2.14396500    2.14020300    4.06978400
 H                  3.37626000    1.28250500    2.56526500
 C                 -0.17118800    2.50987800    3.49752600
 H                 -0.74865500    1.92399200    1.53718900
 C                  0.86798700    2.59303500    4.43009700
 H                  2.94527200    2.20605600    4.79757600
 H                 -1.17091900    2.84737200    3.73773000
 C                  1.58811700    2.37173400   -0.90840500
 C                  1.01382600    3.58060400   -0.48381800
 C                  2.14238200    2.33716500   -2.19460500
 C                  0.97989000    4.69114500   -1.31246600
 H                  0.59197400    3.67121100    0.50759000
 C                  2.11530400    3.44446300   -3.03870100
 H                  2.63413900    1.44170200   -2.55248700
 C                  1.51858300    4.63300700   -2.60290200
 H                  0.53318100    5.61929300   -0.97395800
 H                  2.55997400    3.36617100   -4.02214000
 C                  3.44563500    0.46355500    0.20965500
 C                  3.85621800   -0.79192000    0.68441300
 C                  4.42857100    1.41727100   -0.07546700
 C                  5.19939300   -1.07518400    0.86838500
 H                  3.11451400   -1.54622400    0.90831700
 C                  5.78450300    1.13840100    0.09334300
 H                  4.15129200    2.40314300   -0.42677900
 C                  6.17837200   -0.11531600    0.57205900
 H                  5.51749000   -2.04379200    1.23758200
 H                  6.51135400    1.90467200   -0.14304200
 O                  0.74315400    3.08778100    5.68730200
 O                  1.41493000    5.76498700   -3.34553900
 O                  7.46450500   -0.49395500    0.78060400
 C                 -0.53552600    3.55858800    6.11548900
 C                  1.96691900    5.77422800   -4.66361700
 C                  8.50803900    0.44398000    0.51343800
 H                  9.43482200   -0.06972600    0.75817800
 H                  8.52010400    0.73415100   -0.54066700
 H                  8.40899400    1.33485600    1.13953400
 H                  1.48077900    5.03164500   -5.30188700
 H                  1.77507400    6.77030500   -5.05539900
 H                  3.04475000    5.59290100   -4.64117500
 H                 -0.39627100    3.89651100    7.13974500
 H                 -0.87626000    4.39521400    5.49942500
 H                 -1.27968200    2.75784900    6.09399000
 P                 -2.12697100   -0.03719000   -0.05139000
 C                 -3.08786300   -1.11766300   -1.20948800
 C                 -2.96610300   -2.50312800   -1.05345900
 C                 -3.95880100   -0.64473600   -2.20203100
 C                 -3.68409400   -3.39646300   -1.84558500
 H                 -2.30489700   -2.90835900   -0.29422100
 C                 -4.67369100   -1.52313300   -3.00516700
 H                 -4.09197000    0.41980600   -2.35118200
 C                 -4.54623300   -2.90744600   -2.83424800
 H                 -3.56246800   -4.45948700   -1.68319300
 H                 -5.34679600   -1.15283400   -3.77080200
 C                 -2.50179400    1.68089700   -0.62071000
 C                 -3.10895400    2.63139400    0.21675600
 C                 -2.11513900    2.09874800   -1.90083200
 C                 -3.31609200    3.93655800   -0.20755000
 H                 -3.42778900    2.35540100    1.21460300
 C                 -2.33414900    3.39962700   -2.34558600
 H                 -1.63599300    1.40502800   -2.57963400
 C                 -2.93055700    4.33500000   -1.49336300
 H                 -3.78028000    4.66553300    0.44778300
 H                 -2.02135000    3.67159600   -3.34511700
 C                 -3.14174600   -0.19903600    1.48423900
 C                 -2.53187400   -0.31449800    2.73396000
 C                 -4.54881000   -0.20946300    1.43022800
 C                 -3.28532100   -0.42692500    3.90514800
 H                 -1.45275800   -0.34671200    2.80203100
 C                 -5.30675800   -0.31950900    2.58271400
 H                 -5.05948600   -0.13307500    0.47655400
 C                 -4.68032500   -0.42727300    3.83539300
 H                 -2.77117500   -0.52166100    4.85298100
 H                 -6.39054200   -0.32753200    2.54021200
 O                 -5.51110200   -0.53102800    4.90441700
 O                 -3.16766600    5.63363500   -1.81449000
 O                 -5.29127400   -3.68265000   -3.66430300
 C                 -2.77261000    6.10361100   -3.10444600
 H                 -3.29965500    5.56930400   -3.89981200
 H                 -3.05011600    7.15494700   -3.13102600
 H                 -1.69278900    6.00829700   -3.24803400
 C                 -4.93877100   -0.64654600    6.20758600
 H                 -4.33160100    0.22927300    6.45266900
 H                 -5.78012200   -0.70795500    6.89406500
 H                 -4.33079300   -1.55112600    6.29501200
 C                 -5.20963000   -5.10238100   -3.53417700
 H                 -5.53367800   -5.42931700   -2.54228000
 H                 -5.88385000   -5.50571200   -4.28623600
 H                 -4.19459400   -5.46079600   -3.72623900
 C                  1.37299500   -3.41751300   -1.15922300
 N                  1.73281900   -2.07826900   -1.36832300
 C                  0.59370000   -3.96056800   -2.14505000
 C                  1.14989100   -1.69814900   -2.71978600
 C                  0.24431800   -0.52234500   -2.36141900
 H                 -0.77380200   -0.63502600   -2.73815800
 H                  0.63161700    0.44892700   -2.65506900
 C                  0.16918500   -5.37943500   -2.34317200
 H                 -0.92270900   -5.47643200   -2.28856200
 H                  0.59792500   -6.05852600   -1.60626000
 H                  0.45497700   -5.73307600   -3.34163200
 C                  2.00428000   -4.21576400   -0.07645800
 C                  1.26714400   -5.08879800    0.73479500
 C                  3.39524900   -4.17243400    0.09016000
 C                  1.89900700   -5.89381400    1.68020000
 H                  0.18739800   -5.11806900    0.64298200
 C                  4.03006400   -4.97558500    1.03534600
 H                  3.97750600   -3.50867300   -0.53756500
 C                  3.28398600   -5.84074600    1.83578700
 H                  1.30703500   -6.55729800    2.30304000
 H                  5.10975800   -4.93172800    1.14119000
 H                  3.77656900   -6.46686000    2.57291900
 C                  2.28515700   -1.35855700   -3.68613800
 H                  1.88727100   -1.03047100   -4.65262000
 H                  2.91681000   -2.23605000   -3.85814300
 H                  2.92126400   -0.56553800   -3.28744100
 C                  0.34815200   -2.93490300   -3.21017300
 H                  0.71787100   -3.29374900   -4.18019000
 H                 -0.72010100   -2.72863300   -3.35655300
 
123
C-Rh-1   SCF Done:  E(RM06) =  -3888.59219435
 Rh                -0.58852400    0.63590600   -1.02355500
 Cl                 0.14795200    2.78064800   -2.13131400
 P                 -1.17920200   -1.27463000    0.18474200
 C                 -0.98847100   -0.81458100    1.96002800
 C                 -1.53791500    0.41214200    2.37827800
 C                 -0.35859000   -1.60814500    2.92071100
 C                 -1.48197500    0.80918800    3.70462800
 H                 -2.02274700    1.06741900    1.66219400
 C                 -0.29544200   -1.22012500    4.25870300
 H                  0.11226100   -2.54111600    2.64001000
 C                 -0.86440300   -0.00848900    4.66174300
 H                 -1.91200200    1.75286300    4.02143100
 H                  0.20793300   -1.86501900    4.96696900
 C                 -0.19214300   -2.79551600   -0.12598600
 C                 -0.42700200   -3.98698100    0.58890400
 C                  0.74178900   -2.83469400   -1.16232300
 C                  0.26758400   -5.14680100    0.29577700
 H                 -1.17551600   -4.01743400    1.37193200
 C                  1.43641500   -4.00179500   -1.48385600
 H                  0.94197500   -1.93992400   -1.73798300
 C                  1.20753700   -5.16743300   -0.74795700
 H                  0.08825400   -6.05954400    0.85303000
 H                  2.14638000   -3.98282100   -2.30037200
 C                 -2.89557500   -1.97618800    0.13401100
 C                 -3.92705400   -1.47773200    0.94589300
 C                 -3.20389300   -3.03794200   -0.72227100
 C                 -5.20332400   -2.01616100    0.90103200
 H                 -3.73736600   -0.67023500    1.64099200
 C                 -4.48260600   -3.59235800   -0.77752800
 H                 -2.43991500   -3.46522500   -1.36054100
 C                 -5.49655500   -3.08014000    0.03676000
 H                 -5.99134000   -1.62945600    1.53794500
 H                 -4.66732500   -4.41769800   -1.45287100
 O                 -0.86361400    0.46289900    5.93467200
 O                  1.82423100   -6.35411400   -0.96438600
 O                 -6.77285900   -3.54221100    0.07095300
 C                 -0.24737600   -0.32225000    6.95628600
 C                  2.78760000   -6.44624500   -2.01604500
 C                 -7.13142200   -4.62694400   -0.78568300
 H                 -8.18376900   -4.82026000   -0.59070800
 H                 -6.99902700   -4.36152400   -1.83816700
 H                 -6.54822400   -5.52299200   -0.55595500
 H                  3.62759200   -5.76832600   -1.84277200
 H                  3.14154800   -7.47427300   -2.00025100
 H                  2.33408600   -6.23140300   -2.98720900
 H                 -0.37337100    0.24257100    7.87707100
 H                 -0.73541100   -1.29558500    7.05639000
 H                  0.81867600   -0.46343600    6.75866600
 P                  1.95644400    0.66611800   -0.20463900
 C                  3.22490100    0.44617800   -1.52898300
 C                  2.84734200    0.53163000   -2.87152900
 C                  4.58279400    0.20786800   -1.24507500
 C                  3.77210300    0.38438400   -3.90581300
 H                  1.81553300    0.73705200   -3.12116500
 C                  5.51266000    0.06057200   -2.26125800
 H                  4.91973100    0.13064200   -0.21830200
 C                  5.11606400    0.14509500   -3.60449500
 H                  3.43112800    0.45776400   -4.93048500
 H                  6.55801400   -0.12257600   -2.03747100
 C                  2.67671900   -0.36221900    1.16987900
 C                  2.82315000    0.13383000    2.47541900
 C                  3.09002900   -1.67777100    0.93306200
 C                  3.35813800   -0.64722900    3.48906100
 H                  2.52818300    1.14840800    2.71102800
 C                  3.62890000   -2.47589500    1.94101800
 H                  3.01664900   -2.10187800   -0.05958800
 C                  3.76446700   -1.96224400    3.23476500
 H                  3.47199900   -0.25097800    4.49229500
 H                  3.94104300   -3.48432600    1.70151400
 C                  2.24744600    2.37048000    0.45207100
 C                  1.27801800    2.94884000    1.27575300
 C                  3.40417600    3.11399800    0.17975400
 C                  1.44557300    4.21844400    1.82752400
 H                  0.36452800    2.40916600    1.50184600
 C                  3.58101400    4.38338800    0.71170700
 H                  4.17561500    2.70967500   -0.46454600
 C                  2.60493300    4.94783700    1.54340800
 H                  0.66734000    4.62429200    2.46092400
 H                  4.47392700    4.95886300    0.49220800
 O                  2.87209200    6.19498800    2.01544400
 O                  4.27588700   -2.64713500    4.29313000
 O                  6.10006800   -0.01934100   -4.52503700
 C                  4.71042600   -3.99131900    4.09095700
 H                  5.52283300   -4.04107100    3.36040900
 H                  5.07288500   -4.33275800    5.05802700
 H                  3.88517000   -4.63101000    3.76561000
 C                  1.90953000    6.82769600    2.85790700
 H                  1.74843800    6.25629700    3.77646600
 H                  2.32910500    7.80003800    3.10621400
 H                  0.95657000    6.96483800    2.33915000
 C                  5.76235200    0.05749100   -5.91054000
 H                  5.35603400    1.04005300   -6.16544200
 H                  6.69379300   -0.10023500   -6.44937700
 H                  5.04536500   -0.72029100   -6.18747900
 C                 -3.06990200    2.17066300   -1.85561300
 N                 -2.57774400    0.86663100   -1.68086000
 C                 -3.14190200    2.57192700   -3.15032700
 C                 -2.32551600    0.32585400   -3.06530800
 C                 -0.91685400   -0.22776600   -2.88072500
 H                 -0.16871900    0.18056900   -3.55688300
 H                 -0.86277200   -1.31491700   -2.85566300
 C                 -3.78208900    3.78910900   -3.73546800
 H                 -3.03531200    4.46600000   -4.17303200
 H                 -4.35118200    4.36010700   -2.99988500
 H                 -4.46308400    3.52104700   -4.55332500
 C                 -3.54389300    2.92041000   -0.66855900
 C                 -3.25091300    4.28194900   -0.49459000
 C                 -4.30737900    2.27875100    0.31981700
 C                 -3.71580000    4.98022000    0.61950000
 H                 -2.63642800    4.79090000   -1.22819000
 C                 -4.77565400    2.97534900    1.43139100
 H                 -4.54038400    1.22774900    0.19846200
 C                 -4.48194800    4.33113400    1.58681000
 H                 -3.47255700    6.03201600    0.73419600
 H                 -5.37387800    2.46030200    2.17683900
 H                 -4.84435100    4.87427200    2.45376000
 C                 -3.36851100   -0.73254800   -3.43345800
 H                 -3.15586300   -1.14994600   -4.42444700
 H                 -4.36843600   -0.28761900   -3.46256300
 H                 -3.38205000   -1.54599000   -2.71055100
 C                 -2.45985800    1.54555700   -4.01824500
 H                 -3.04149900    1.29458400   -4.91398500
 H                 -1.48865200    1.92134700   -4.36330900
 
123
C-Rh-2   SCF Done:  E(RM06) =  -3888.59219435
 Rh                -0.58852400    0.63590600   -1.02355500
 Cl                 0.14795200    2.78064800   -2.13131400
 P                 -1.17920200   -1.27463000    0.18474200
 C                 -0.98847100   -0.81458100    1.96002800
 C                 -1.53791500    0.41214200    2.37827800
 C                 -0.35859000   -1.60814500    2.92071100
 C                 -1.48197500    0.80918800    3.70462800
 H                 -2.02274700    1.06741900    1.66219400
 C                 -0.29544200   -1.22012500    4.25870300
 H                  0.11226100   -2.54111600    2.64001000
 C                 -0.86440300   -0.00848900    4.66174300
 H                 -1.91200200    1.75286300    4.02143100
 H                  0.20793300   -1.86501900    4.96696900
 C                 -0.19214300   -2.79551600   -0.12598600
 C                 -0.42700200   -3.98698100    0.58890400
 C                  0.74178900   -2.83469400   -1.16232300
 C                  0.26758400   -5.14680100    0.29577700
 H                 -1.17551600   -4.01743400    1.37193200
 C                  1.43641500   -4.00179500   -1.48385600
 H                  0.94197500   -1.93992400   -1.73798300
 C                  1.20753700   -5.16743300   -0.74795700
 H                  0.08825400   -6.05954400    0.85303000
 H                  2.14638000   -3.98282100   -2.30037200
 C                 -2.89557500   -1.97618800    0.13401100
 C                 -3.92705400   -1.47773200    0.94589300
 C                 -3.20389300   -3.03794200   -0.72227100
 C                 -5.20332400   -2.01616100    0.90103200
 H                 -3.73736600   -0.67023500    1.64099200
 C                 -4.48260600   -3.59235800   -0.77752800
 H                 -2.43991500   -3.46522500   -1.36054100
 C                 -5.49655500   -3.08014000    0.03676000
 H                 -5.99134000   -1.62945600    1.53794500
 H                 -4.66732500   -4.41769800   -1.45287100
 O                 -0.86361400    0.46289900    5.93467200
 O                  1.82423100   -6.35411400   -0.96438600
 O                 -6.77285900   -3.54221100    0.07095300
 C                 -0.24737600   -0.32225000    6.95628600
 C                  2.78760000   -6.44624500   -2.01604500
 C                 -7.13142200   -4.62694400   -0.78568300
 H                 -8.18376900   -4.82026000   -0.59070800
 H                 -6.99902700   -4.36152400   -1.83816700
 H                 -6.54822400   -5.52299200   -0.55595500
 H                  3.62759200   -5.76832600   -1.84277200
 H                  3.14154800   -7.47427300   -2.00025100
 H                  2.33408600   -6.23140300   -2.98720900
 H                 -0.37337100    0.24257100    7.87707100
 H                 -0.73541100   -1.29558500    7.05639000
 H                  0.81867600   -0.46343600    6.75866600
 P                  1.95644400    0.66611800   -0.20463900
 C                  3.22490100    0.44617800   -1.52898300
 C                  2.84734200    0.53163000   -2.87152900
 C                  4.58279400    0.20786800   -1.24507500
 C                  3.77210300    0.38438400   -3.90581300
 H                  1.81553300    0.73705200   -3.12116500
 C                  5.51266000    0.06057200   -2.26125800
 H                  4.91973100    0.13064200   -0.21830200
 C                  5.11606400    0.14509500   -3.60449500
 H                  3.43112800    0.45776400   -4.93048500
 H                  6.55801400   -0.12257600   -2.03747100
 C                  2.67671900   -0.36221900    1.16987900
 C                  2.82315000    0.13383000    2.47541900
 C                  3.09002900   -1.67777100    0.93306200
 C                  3.35813800   -0.64722900    3.48906100
 H                  2.52818300    1.14840800    2.71102800
 C                  3.62890000   -2.47589500    1.94101800
 H                  3.01664900   -2.10187800   -0.05958800
 C                  3.76446700   -1.96224400    3.23476500
 H                  3.47199900   -0.25097800    4.49229500
 H                  3.94104300   -3.48432600    1.70151400
 C                  2.24744600    2.37048000    0.45207100
 C                  1.27801800    2.94884000    1.27575300
 C                  3.40417600    3.11399800    0.17975400
 C                  1.44557300    4.21844400    1.82752400
 H                  0.36452800    2.40916600    1.50184600
 C                  3.58101400    4.38338800    0.71170700
 H                  4.17561500    2.70967500   -0.46454600
 C                  2.60493300    4.94783700    1.54340800
 H                  0.66734000    4.62429200    2.46092400
 H                  4.47392700    4.95886300    0.49220800
 O                  2.87209200    6.19498800    2.01544400
 O                  4.27588700   -2.64713500    4.29313000
 O                  6.10006800   -0.01934100   -4.52503700
 C                  4.71042600   -3.99131900    4.09095700
 H                  5.52283300   -4.04107100    3.36040900
 H                  5.07288500   -4.33275800    5.05802700
 H                  3.88517000   -4.63101000    3.76561000
 C                  1.90953000    6.82769600    2.85790700
 H                  1.74843800    6.25629700    3.77646600
 H                  2.32910500    7.80003800    3.10621400
 H                  0.95657000    6.96483800    2.33915000
 C                  5.76235200    0.05749100   -5.91054000
 H                  5.35603400    1.04005300   -6.16544200
 H                  6.69379300   -0.10023500   -6.44937700
 H                  5.04536500   -0.72029100   -6.18747900
 C                 -3.06990200    2.17066300   -1.85561300
 N                 -2.57774400    0.86663100   -1.68086000
 C                 -3.14190200    2.57192700   -3.15032700
 C                 -2.32551600    0.32585400   -3.06530800
 C                 -0.91685400   -0.22776600   -2.88072500
 H                 -0.16871900    0.18056900   -3.55688300
 H                 -0.86277200   -1.31491700   -2.85566300
 C                 -3.78208900    3.78910900   -3.73546800
 H                 -3.03531200    4.46600000   -4.17303200
 H                 -4.35118200    4.36010700   -2.99988500
 H                 -4.46308400    3.52104700   -4.55332500
 C                 -3.54389300    2.92041000   -0.66855900
 C                 -3.25091300    4.28194900   -0.49459000
 C                 -4.30737900    2.27875100    0.31981700
 C                 -3.71580000    4.98022000    0.61950000
 H                 -2.63642800    4.79090000   -1.22819000
 C                 -4.77565400    2.97534900    1.43139100
 H                 -4.54038400    1.22774900    0.19846200
 C                 -4.48194800    4.33113400    1.58681000
 H                 -3.47255700    6.03201600    0.73419600
 H                 -5.37387800    2.46030200    2.17683900
 H                 -4.84435100    4.87427200    2.45376000
 C                 -3.36851100   -0.73254800   -3.43345800
 H                 -3.15586300   -1.14994600   -4.42444700
 H                 -4.36843600   -0.28761900   -3.46256300
 H                 -3.38205000   -1.54599000   -2.71055100
 C                 -2.45985800    1.54555700   -4.01824500
 H                 -3.04149900    1.29458400   -4.91398500
 H                 -1.48865200    1.92134700   -4.36330900
 
123
E-Rh   SCF Done:  E(RM06) =  -3888.58586963
 Rh                 0.38156700   -0.00076500   -0.25775100
 Cl                 0.45318400   -0.01062500   -2.88097200
 P                 -0.26198900   -2.30837600   -0.14444400
 C                 -1.27933900   -3.08254400   -1.46228700
 C                 -1.04361000   -4.38846400   -1.92524700
 C                 -2.34161000   -2.36759800   -2.02074300
 C                 -1.84582000   -4.95356300   -2.90367200
 H                 -0.22229300   -4.96995000   -1.52197600
 C                 -3.16032900   -2.92548000   -3.00165500
 H                 -2.53997800   -1.35348100   -1.69650700
 C                 -2.91426300   -4.22743000   -3.45078300
 H                 -1.66193000   -5.95998900   -3.26338500
 H                 -3.96982900   -2.33502600   -3.41067100
 C                 -0.93245300   -3.00356300    1.42698700
 C                 -1.83098100   -4.08345900    1.44865800
 C                 -0.53678500   -2.45959000    2.65349100
 C                 -2.31149100   -4.59056800    2.64628800
 H                 -2.16933200   -4.53168800    0.52254800
 C                 -1.00273800   -2.96578300    3.86526300
 H                  0.14669800   -1.61835300    2.67257500
 C                 -1.90091700   -4.03927300    3.86810300
 H                 -3.01011100   -5.41994700    2.65801100
 H                 -0.66760300   -2.51200400    4.78883800
 C                  1.38805300   -3.12291800   -0.31989400
 C                  2.07923700   -3.00451400   -1.54057200
 C                  2.01593800   -3.80134500    0.72804200
 C                  3.34271900   -3.54746800   -1.69871900
 H                  1.62535900   -2.47201100   -2.36843200
 C                  3.29336000   -4.34490000    0.58228800
 H                  1.51328700   -3.92158800    1.68008800
 C                  3.96784900   -4.21527700   -0.63508000
 H                  3.87278500   -3.45701400   -2.64055000
 H                  3.74235900   -4.86160100    1.42064800
 O                 -3.63905700   -4.86676100   -4.40338000
 O                 -2.42700400   -4.60495700    4.98283700
 O                  5.21740000   -4.68888000   -0.88355500
 C                 -4.73361600   -4.17871200   -5.01050700
 C                 -2.05349900   -4.08435000    6.25970200
 C                  5.89544600   -5.40636300    0.14886100
 H                  6.85422900   -5.69589100   -0.27485900
 H                  6.06061400   -4.77639300    1.02698600
 H                  5.33933100   -6.30239600    0.43736100
 H                 -2.35031100   -3.03708200    6.36224800
 H                 -2.58949500   -4.68591500    6.99004500
 H                 -0.97744700   -4.18102800    6.42762400
 H                 -5.15634900   -4.87629700   -5.72980500
 H                 -5.49393800   -3.91282200   -4.27109500
 H                 -4.39566800   -3.27872300   -5.53129800
 C                 -4.61827000    1.37988100    0.39900500
 N                 -3.48533500    1.97050400    0.59821400
 C                 -4.54832700   -0.09435000    0.61257600
 C                 -2.48383700    0.93671500    0.95747400
 C                 -1.40107700    1.05815000   -0.14225900
 H                 -1.11011600    2.10773500   -0.15283100
 H                 -1.84647500    0.81834500   -1.11120300
 C                 -5.67332200   -1.08413400    0.53814800
 H                 -5.38322100   -2.02686000    1.00587600
 H                 -5.95871200   -1.30820100   -0.49451200
 H                 -6.57063200   -0.71720700    1.04396300
 C                 -5.82725600    2.16441900    0.04711100
 C                 -6.82262200    1.65880000   -0.80072200
 C                 -5.97141100    3.46824300    0.54743700
 C                 -7.92892400    2.43599900   -1.14067500
 H                 -6.72740300    0.66558100   -1.22156200
 C                 -7.07996100    4.23958400    0.21566500
 H                 -5.20316800    3.86461100    1.20095000
 C                 -8.06418800    3.72559500   -0.63060700
 H                 -8.68416500    2.03180300   -1.80672000
 H                 -7.17848400    5.24257500    0.61810300
 H                 -8.92929100    4.32697400   -0.89004800
 C                 -1.95977200    1.26900700    2.36545400
 H                 -1.25438800    0.51088700    2.70371000
 H                 -2.78838300    1.31715600    3.07676000
 H                 -1.44876300    2.23328200    2.36013600
 C                 -3.27067100   -0.34305000    0.94680900
 H                 -2.86585500   -1.30569100    1.22593900
 H                  0.39501900   -0.02403400    1.28737400
 P                  1.72747700    1.95320900   -0.02197900
 C                  1.54807000    2.88770200    1.55382700
 C                  1.61529700    2.20653000    2.77494200
 C                  1.30383200    4.26920800    1.58661200
 C                  1.47195400    2.86839400    3.99109100
 H                  1.77949900    1.13473900    2.78953900
 C                  1.14190900    4.93938800    2.79115200
 H                  1.23679200    4.83405300    0.66499600
 C                  1.23054100    4.24811200    4.00580900
 H                  1.53959300    2.30116000    4.91034600
 H                  0.94916800    6.00639000    2.81137900
 C                  1.75814700    3.25886600   -1.31611900
 C                  2.87936000    4.09249400   -1.47723800
 C                  0.65894000    3.46383100   -2.15271600
 C                  2.89088200    5.09620300   -2.43084800
 H                  3.75579400    3.95442800   -0.85353700
 C                  0.65527700    4.47471200   -3.11440000
 H                 -0.20493000    2.81670400   -2.07954900
 C                  1.77482500    5.29995900   -3.25751600
 H                  3.75675100    5.73687300   -2.55719300
 H                 -0.21546200    4.59718100   -3.74532300
 C                  3.45574500    1.31263500   -0.01316000
 C                  3.84568900    0.46916200   -1.06162400
 C                  4.39816500    1.60736800    0.98453200
 C                  5.12625100   -0.07546400   -1.11822500
 H                  3.14178600    0.22433800   -1.85031700
 C                  5.67552600    1.06765600    0.93946500
 H                  4.13781200    2.26326900    1.80644800
 C                  6.04984000    0.21395700   -0.10740700
 H                  5.38370300   -0.72718600   -1.94268700
 H                  6.40194600    1.29321000    1.71260000
 O                  7.31384300   -0.27864700   -0.05302900
 O                  1.88296700    6.30854000   -4.15895800
 O                  1.06756600    4.99218200    5.12938300
 C                  0.78543000    6.56531500   -5.03623900
 H                 -0.11341500    6.83830100   -4.47671100
 H                  1.09490000    7.40350900   -5.65625600
 H                  0.57527600    5.70043300   -5.67122600
 C                  7.73452600   -1.19816100   -1.06257200
 H                  7.72572700   -0.73285200   -2.05197000
 H                  8.75396300   -1.47342600   -0.80213600
 H                  7.10527500   -2.09263300   -1.07016700
 C                  1.14370900    4.34405200    6.39969200
 H                  2.12567000    3.88857900    6.55439400
 H                  0.98735600    5.12660700    7.13854200
 H                  0.36456400    3.58407800    6.50427800
 
123
E-Rh-1   SCF Done:  E(RM06) =  -3888.58632031
 Rh                 0.15736400   -0.84174700   -0.11305700
 Cl                 0.77782300   -0.87988400   -2.66627200
 P                  0.91748100    1.66440000    0.03142000
 C                  0.08362800    3.02228300   -0.89321700
 C                 -0.17871700    4.28563800   -0.34330700
 C                 -0.29005000    2.78833400   -2.22077500
 C                 -0.78749600    5.27838100   -1.09726500
 H                  0.09236300    4.50155600    0.68324300
 C                 -0.89226000    3.78042200   -2.99166700
 H                 -0.10635700    1.81535300   -2.66528300
 C                 -1.14709700    5.03653400   -2.42931600
 H                 -0.99333400    6.25464000   -0.67161100
 H                 -1.16249900    3.56049400   -4.01647900
 C                  2.66953800    1.78986600   -0.54213300
 C                  3.15926500    2.85646500   -1.31049600
 C                  3.56830300    0.78526200   -0.16819700
 C                  4.49589400    2.91852600   -1.67941100
 H                  2.49294400    3.65072000   -1.62505800
 C                  4.91451900    0.83791300   -0.52469900
 H                  3.22219000   -0.06347600    0.41484100
 C                  5.38825800    1.91399100   -1.28421300
 H                  4.87161800    3.74490800   -2.27311700
 H                  5.57284900    0.03484600   -0.22046700
 C                  1.03378800    2.30828500    1.76155300
 C                  0.08240800    1.91524700    2.71685100
 C                  2.03765000    3.19291000    2.17083500
 C                  0.12411700    2.39515000    4.01690300
 H                 -0.69417900    1.20936800    2.44751700
 C                  2.09901100    3.67874400    3.47670500
 H                  2.79775700    3.51350600    1.46756700
 C                  1.13551500    3.28231200    4.41088900
 H                 -0.61239600    2.08497200    4.75004600
 H                  2.89716200    4.35724900    3.74891000
 O                 -1.73266600    6.07443700   -3.08426400
 O                  6.67710300    2.06882100   -1.68705500
 O                  1.09880200    3.68880800    5.70595700
 C                 -2.12561300    5.89188100   -4.44391800
 C                  7.64423200    1.10227300   -1.27501600
 C                  2.11273800    4.57790700    6.17571600
 H                  1.88769600    4.75182200    7.22545000
 H                  3.10596500    4.12944400    6.08595800
 H                  2.08795000    5.52876100    5.63631200
 H                  7.41066200    0.11036400   -1.67062400
 H                  8.59245500    1.44205400   -1.68579200
 H                  7.71632700    1.05507500   -0.18466400
 H                 -2.56307300    6.83831600   -4.75393100
 H                 -1.26545700    5.66366200   -5.07954600
 H                 -2.87195500    5.09840600   -4.53725600
 C                  3.56574800   -3.12656100    0.31777900
 N                  2.52282100   -3.61157400   -0.27294000
 C                  3.27872800   -2.66398700    1.70902400
 C                  1.39985700   -3.58106700    0.67688100
 C                  0.13055100   -2.93224200    0.06864900
 H                 -0.71985800   -3.28338600    0.65561400
 H                  0.01015900   -3.31831700   -0.94541100
 C                  4.22361800   -2.03758300    2.69336800
 H                  3.66688700   -1.58843600    3.51797300
 H                  4.84030700   -1.25754200    2.23948900
 H                  4.90986300   -2.77124700    3.12819700
 C                  4.87103800   -3.06779400   -0.38645000
 C                  6.09221000   -3.20876800    0.28749500
 C                  4.89154300   -2.90403600   -1.78111000
 C                  7.29807800   -3.18953300   -0.41273700
 H                  6.11102800   -3.36052900    1.35920200
 C                  6.09424600   -2.87630400   -2.47778400
 H                  3.95017200   -2.79309000   -2.30550600
 C                  7.30433200   -3.01918400   -1.79549900
 H                  8.23247900   -3.31099100    0.12538500
 H                  6.09015100   -2.74016400   -3.55438800
 H                  8.24330200   -2.99975800   -2.33896700
 C                  1.05980100   -5.06355900    1.00367200
 H                  0.28369300   -5.11752700    1.77017900
 H                  1.94565000   -5.59094400    1.36733900
 H                  0.69803700   -5.56958600    0.10607900
 C                  1.97196700   -2.91499300    1.89876000
 H                  1.40811900   -2.71218200    2.80113600
 H                  0.05409700   -0.81025100    1.41991600
 P                 -2.09274700   -0.95775000   -0.00783600
 C                 -2.84004700   -1.11079600    1.66995000
 C                 -4.17028000   -0.72698500    1.88346700
 C                 -2.14368900   -1.68319700    2.74578100
 C                 -4.79095900   -0.89728800    3.11880000
 H                 -4.74545400   -0.28433000    1.07928000
 C                 -2.74880600   -1.86131000    3.97922800
 H                 -1.11174500   -1.98458700    2.62262200
 C                 -4.08045000   -1.47041400    4.17988000
 H                 -5.81878300   -0.58038200    3.23763000
 H                 -2.20342500   -2.29908400    4.80777900
 C                 -2.78621600   -2.38260600   -0.94744700
 C                 -2.33130900   -2.63648400   -2.25385200
 C                 -3.75564400   -3.23292600   -0.41008700
 C                 -2.84729000   -3.68547200   -2.99531900
 H                 -1.55267600   -2.01698600   -2.68406200
 C                 -4.27570800   -4.29905000   -1.14519900
 H                 -4.12156300   -3.08259200    0.59784900
 C                 -3.82641900   -4.52929900   -2.44872300
 H                 -2.49620300   -3.87964300   -4.00291000
 H                 -5.02273300   -4.93536200   -0.68869300
 C                 -2.96392800    0.50329000   -0.70637700
 C                 -3.67369900    0.44445700   -1.90900400
 C                 -2.97661500    1.71501700    0.00842000
 C                 -4.38309900    1.54459800   -2.39066000
 H                 -3.70106700   -0.47145700   -2.48485900
 C                 -3.68144400    2.80989800   -0.45446300
 H                 -2.45002300    1.80263500    0.95122600
 C                 -4.39306900    2.73669800   -1.66141300
 H                 -4.92405000    1.45232700   -3.32338000
 H                 -3.69375800    3.73969000    0.10195600
 O                 -5.05369700    3.86294000   -2.02845900
 O                 -4.26201300   -5.53145500   -3.25235600
 O                 -4.58182800   -1.68161200    5.42030300
 C                 -5.24972200   -6.43335200   -2.75112900
 H                 -6.17565200   -5.90817500   -2.50142800
 H                 -5.43932800   -7.13875200   -3.55679800
 H                 -4.88374700   -6.97252100   -1.87319600
 C                 -5.84886100    3.83616800   -3.21532100
 H                 -6.63983400    3.08487500   -3.14313300
 H                 -6.29318400    4.82562400   -3.29332900
 H                 -5.23615000    3.64179800   -4.09956600
 C                 -5.93633100   -1.31201700    5.68827700
 H                 -6.63016700   -1.86542100    5.05001700
 H                 -6.11139100   -1.57557300    6.72858200
 H                 -6.08712400   -0.23760900    5.55409500
 
123
E-Rh-2   SCF Done:  E(RM06) =  -3888.57826788
 Rh                 0.46714600   -0.25566300   -1.51692500
 Cl                 1.82578300    1.24942400   -3.17221400
 P                 -0.32367200    2.00606000   -0.09292200
 C                 -1.17065000    1.77505900    1.53491100
 C                 -0.62899300    2.24383200    2.74235900
 C                 -2.35648600    1.03234900    1.59901900
 C                 -1.24701300    1.98028200    3.95718100
 H                  0.28538000    2.82519100    2.73982200
 C                 -2.99346100    0.76989200    2.81072300
 H                 -2.81278100    0.65715200    0.68975200
 C                 -2.43550600    1.24063200    4.00445200
 H                 -0.82440500    2.34709000    4.88634600
 H                 -3.91221000    0.19759100    2.80833500
 C                 -1.58592700    2.90789600   -1.09979600
 C                 -2.70079800    3.56099300   -0.54943700
 C                 -1.40236200    2.98132100   -2.48511200
 C                 -3.59609200    4.25046500   -1.35402600
 H                 -2.87679700    3.53294600    0.51929800
 C                 -2.29112000    3.67665000   -3.30465500
 H                 -0.54543600    2.49793100   -2.94225800
 C                 -3.40112700    4.31484300   -2.74082600
 H                 -4.45718000    4.75203300   -0.92570600
 H                 -2.10781000    3.70838800   -4.37104700
 C                  0.90913400    3.33350000    0.27297900
 C                  2.21939900    2.98168700    0.63296100
 C                  0.58634600    4.69380500    0.22951600
 C                  3.16158300    3.94921300    0.94930200
 H                  2.51116800    1.93907400    0.66253600
 C                  1.52455000    5.67793700    0.53767900
 H                 -0.41142900    5.00769500   -0.05370200
 C                  2.82320500    5.30828100    0.90428200
 H                  4.17441700    3.67327800    1.22050200
 H                  1.23139800    6.71865000    0.48605300
 O                 -2.96219400    1.03355000    5.24073300
 O                 -4.33404400    5.01116000   -3.44108500
 O                  3.81525900    6.17991300    1.22335200
 C                 -4.18403500    0.30293000    5.34998400
 C                 -4.18965200    5.11642400   -4.85774500
 C                  3.53527100    7.57947400    1.18777100
 H                  4.46216900    8.07230700    1.47219300
 H                  3.24580800    7.90081200    0.18343900
 H                  2.74884200    7.84519300    1.89969500
 H                 -4.21998000    4.13252500   -5.33397700
 H                 -5.03671800    5.70855600   -5.19651900
 H                 -3.25963700    5.62570800   -5.12507700
 H                 -4.41324600    0.27026600    6.41269900
 H                 -4.99625700    0.80635000    4.81819500
 H                 -4.07255200   -0.71664200    4.97077600
 C                 -4.32899500   -1.89658900   -0.92879800
 N                 -3.21965700   -2.54828000   -1.06178600
 C                 -4.27119500   -0.52651000   -1.51619000
 C                 -2.25397900   -1.67286500   -1.76119200
 C                 -1.03300300   -1.52288100   -0.81279700
 H                 -0.67051500   -2.53275100   -0.61418600
 H                 -1.36894600   -1.11712700    0.14366200
 C                 -5.38418800    0.47532200   -1.60641700
 H                 -5.12814700    1.26810700   -2.31134300
 H                 -5.59124800    0.95283500   -0.64371300
 H                 -6.31746500    0.01261500   -1.93918100
 C                 -5.50757300   -2.53374300   -0.29085800
 C                 -6.42697100   -1.80376900    0.47558100
 C                 -5.69900300   -3.91789500   -0.42742400
 C                 -7.50511500   -2.44001500    1.08928400
 H                 -6.29399200   -0.73861600    0.61817500
 C                 -6.77976200   -4.55056700    0.17729300
 H                 -4.98944700   -4.48755400   -1.01597200
 C                 -7.68833700   -3.81301500    0.93851700
 H                 -8.20100700   -1.86005300    1.68658100
 H                 -6.91602700   -5.62005200    0.05371700
 H                 -8.53204000   -4.30597800    1.41021000
 C                 -1.89652300   -2.36152400   -3.09409400
 H                 -1.22125400   -1.74305100   -3.68689500
 H                 -2.80013300   -2.54849200   -3.67981300
 H                 -1.41047200   -3.32099100   -2.90252200
 C                 -3.02473700   -0.40486300   -2.00556800
 H                 -2.63259200    0.45248800   -2.53840200
 H                  0.72496800   -1.36709400   -2.54349500
 P                  1.95190000   -1.48180800   -0.33685600
 C                  2.69219900   -2.90967100   -1.23817500
 C                  4.02152300   -3.28349100   -1.01433400
 C                  1.92275800   -3.70620800   -2.10231300
 C                  4.57947800   -4.40209600   -1.63215300
 H                  4.64809100   -2.70063100   -0.35063700
 C                  2.46134600   -4.82382900   -2.71629500
 H                  0.89134200   -3.44832800   -2.30505600
 C                  3.79883800   -5.18320300   -2.49003000
 H                  5.61528600   -4.64679200   -1.43648300
 H                  1.86395100   -5.43346300   -3.38497200
 C                  1.32547600   -2.22017200    1.22516100
 C                  1.51129000   -3.57599500    1.53870300
 C                  0.65990100   -1.41410600    2.15450800
 C                  1.05397800   -4.09805000    2.73906200
 H                  2.01666200   -4.23505000    0.84396300
 C                  0.20464800   -1.92359900    3.36753000
 H                  0.48533600   -0.36641600    1.94226600
 C                  0.39964400   -3.27734400    3.66780200
 H                  1.19633800   -5.14592100    2.97888000
 H                 -0.30112100   -1.26130900    4.05764900
 C                  3.42284200   -0.50786400    0.17757400
 C                  3.85195200   -0.44805400    1.50688900
 C                  4.18695800    0.15686300   -0.79923400
 C                  4.99860400    0.25944200    1.86864100
 H                  3.29879400   -0.95851400    2.28474100
 C                  5.32903200    0.85515200   -0.45212700
 H                  3.87101300    0.14761300   -1.83499500
 C                  5.74476700    0.91938100    0.88771900
 H                  5.29374600    0.28300800    2.90946300
 H                  5.91490400    1.37254800   -1.20368300
 O                  6.86428000    1.64482300    1.12603400
 O                 -0.00548300   -3.87967800    4.81272900
 O                  4.23521700   -6.28698100   -3.14358700
 C                 -0.67327200   -3.09562200    5.80327100
 H                 -1.60375000   -2.67410700    5.41377000
 H                 -0.89828100   -3.78095900    6.61702100
 H                 -0.02991100   -2.29177000    6.17092800
 C                  7.35211700    1.73759300    2.46657100
 H                  7.61190700    0.75166300    2.86084600
 H                  8.24626700    2.35378500    2.41086600
 H                  6.61955800    2.21653200    3.12144400
 C                  5.58927400   -6.70531500   -2.95935400
 H                  5.78756000   -6.95284000   -1.91312800
 H                  5.70662800   -7.59639400   -3.57141400
 H                  6.28984600   -5.93668600   -3.29624200
 
126
TS1-Rh   SCF Done:  E(RM06) =  -4077.11283184
 Rh                -0.18522400    0.35107100   -1.10999600
 P                  2.05203200    0.84439000   -0.39239200
 P                 -0.56460600   -1.55697500    0.22796600
 C                  2.64146100    2.53985200   -0.84620800
 C                  3.21380400    2.76481200   -2.11099000
 C                  3.66255900    4.02074100   -2.48079700
 C                  3.54116600    5.10675200   -1.60123100
 C                  2.96741300    4.90340400   -0.34364500
 C                  2.52765200    3.62912800    0.02007400
 C                  3.36539800   -0.20675900   -1.12772200
 C                  4.73425600    0.05084700   -0.92048200
 C                  5.70590200   -0.72462400   -1.52771600
 C                  5.34311400   -1.77622800   -2.38530100
 C                  3.98895100   -2.02575400   -2.62780100
 C                  3.02069700   -1.24163200   -2.00074700
 C                 -0.83243500   -2.98388300   -0.91223500
 C                 -1.21407700   -2.76906300   -2.23998500
 C                 -1.43906200   -3.83114800   -3.11565300
 C                 -1.28401300   -5.14652000   -2.66829100
 C                 -0.90597300   -5.37762600   -1.33668600
 C                 -0.68368600   -4.31502800   -0.47746600
 C                 -2.06243700   -1.49521400    1.29577600
 C                 -2.93923000   -2.58453100    1.42595000
 C                 -3.99180900   -2.54796300    2.32602100
 C                 -4.19822800   -1.42007400    3.13255400
 C                 -3.33902600   -0.32381500    3.00860800
 C                 -2.29136100   -0.36942700    2.09008800
 H                 -0.38519800   -4.52725900    0.54196500
 H                 -0.78976400   -6.40117000   -0.99774400
 H                 -1.73297500   -3.61619300   -4.13489200
 H                 -1.36403000   -1.76236700   -2.60574500
 H                 -2.80564500   -3.47153100    0.81911200
 H                 -4.67160200   -3.38759100    2.42095400
 H                 -3.47721200    0.56806000    3.60550800
 H                 -1.64371700    0.49471000    2.00308400
 H                  2.86430000    5.71503700    0.36487300
 H                  4.11072500    4.18661800   -3.45437500
 H                  3.31582100    1.94868000   -2.81499300
 H                  2.10355300    3.50435200    1.00814900
 H                  5.04759500    0.87835100   -0.29474000
 H                  1.97755600   -1.44607400   -2.21579500
 H                  3.67370200   -2.81386600   -3.29875000
 H                  6.75936600   -0.52733400   -1.36339400
 C                  0.70846000   -2.24446400    1.37900000
 C                  1.86457200   -2.85551300    0.86334500
 C                  0.54674900   -2.22649500    2.76612000
 C                  2.80931000   -3.42627800    1.69825800
 H                  2.02464200   -2.91189500   -0.20547500
 C                  1.49016700   -2.79837200    3.61987100
 H                 -0.33232100   -1.77507900    3.20823800
 C                  2.63106400   -3.40473000    3.08901900
 H                  3.69381700   -3.90462100    1.29219000
 H                  1.31810700   -2.76462400    4.68779800
 C                  2.23397100    0.84576100    1.43762700
 C                  3.35039100    0.36191300    2.12075000
 C                  1.21415300    1.45570100    2.18842600
 C                  3.47059600    0.49722600    3.50381500
 H                  4.14581000   -0.14289600    1.58799700
 C                  1.32343800    1.60290800    3.56126600
 H                  0.32598300    1.82689200    1.68818100
 C                  2.46014100    1.13071600    4.23304300
 H                  4.35083700    0.10154100    3.99346000
 H                  0.53740800    2.08071600    4.13540900
 Cl                 0.12569100    1.86047700   -3.07676000
 C                 -2.92553700    1.67421500   -1.04723100
 O                 -3.07865900   -0.20384300   -2.68555200
 N                 -2.06790700    0.76120400   -1.24497800
 C                 -4.11819700    1.80966100   -1.99307800
 C                 -4.10620800    0.54178800   -2.87863500
 O                 -4.99670100    0.33749700   -3.70124100
 C                 -6.12302800    1.03175300   -0.43947100
 C                 -5.58041900   -0.14309500   -0.11730400
 H                 -4.61578400   -0.47260500   -0.48260000
 H                 -6.09544100   -0.83186000    0.54441500
 C                 -3.80745500    3.01265100   -2.92582800
 H                 -4.57087400    3.05387300   -3.70453600
 H                 -2.83024200    2.90521500   -3.39933800
 H                 -3.82430000    3.95281300   -2.37103500
 C                 -2.64918400    2.72107700   -0.00702700
 C                 -1.56040000    3.58620600   -0.16625100
 C                 -3.49329200    2.86330400    1.10064900
 C                 -1.32957500    4.59312400    0.76925100
 H                 -0.90638100    3.47078500   -1.02190800
 C                 -3.24623400    3.86310800    2.03915500
 H                 -4.32390500    2.18300300    1.24073400
 C                 -2.16842200    4.73235000    1.87387700
 H                 -0.48920200    5.26520500    0.63357400
 H                 -3.90001000    3.96171300    2.89913400
 H                 -1.98338400    5.51374500    2.60330600
 C                 -7.47191500    1.45090400    0.09313400
 H                 -8.17350000    1.65038700   -0.72473800
 H                 -7.39800300    2.37922300    0.67111800
 H                 -7.90893000    0.68477400    0.73593600
 C                 -5.49852600    2.05726300   -1.35945300
 H                 -5.48525500    3.02801700   -0.84991500
 H                 -6.18164200    2.19601900   -2.20591300
 O                  3.60880600   -3.99616300    3.82290100
 O                 -1.47174900   -6.25172400   -3.43120000
 O                 -5.25355900   -1.48417600    3.98361600
 O                  2.47944000    1.32556000    5.57663300
 O                  4.01062000    6.29689600   -2.05707800
 O                  6.36778200   -2.47270500   -2.93212800
 C                 -5.51048400   -0.37281200    4.84318100
 H                 -5.73348300    0.52987200    4.26813200
 H                 -6.38165100   -0.65156800    5.43145000
 H                 -4.66504400   -0.18501900    5.51067700
 C                  3.46519300   -4.04593500    5.24269000
 H                  4.34487600   -4.57002200    5.60923200
 H                  3.43396600   -3.04187900    5.67444100
 H                  2.56605200   -4.59773000    5.53053900
 C                 -1.85942000   -6.08550700   -4.79637400
 H                 -1.94962600   -7.09111900   -5.20038900
 H                 -2.82208800   -5.57335600   -4.87462300
 H                 -1.10147100   -5.53331300   -5.35837600
 C                  3.62048300    0.89026800    6.31688400
 H                  3.42171300    1.16284300    7.35079600
 H                  3.75066100   -0.19293200    6.24503000
 H                  4.52936800    1.39340000    5.97564000
 C                  6.06966900   -3.54884800   -3.82450200
 H                  5.52877800   -3.19318700   -4.70532300
 H                  7.03244700   -3.95262300   -4.12839100
 H                  5.48884400   -4.32783600   -3.32359600
 C                  3.91432600    7.44096900   -1.20849100
 H                  4.48394300    7.29949900   -0.28575700
 H                  4.34219200    8.26474000   -1.77523800
 H                  2.87253700    7.66837800   -0.96611300
 
126
TS1-Rh-1   SCF Done:  E(RM06) =  -4077.07037240
 Rh                -0.18214900    0.27086800   -1.04577500
 P                  1.50743700    1.60387200   -0.29531200
 P                  0.32741300   -1.69693800    0.12492600
 C                  1.22319400    3.41274500   -0.60164400
 C                  1.67033600    4.01088200   -1.79254400
 C                  1.44484800    5.35253100   -2.05128600
 C                  0.74591200    6.14637400   -1.13080600
 C                  0.28466000    5.56745700    0.05432100
 C                  0.52795300    4.21584800    0.30552800
 C                  3.14932100    1.34952100   -1.08157500
 C                  4.25033100    2.19292600   -0.83975500
 C                  5.45787000    1.99286800   -1.48608800
 C                  5.60252900    0.94969400   -2.41521900
 C                  4.51062800    0.12069500   -2.68985300
 C                  3.30231700    0.33109800   -2.02497100
 C                  0.69887400   -3.00735100   -1.13419000
 C                  1.48508700   -4.12443700   -0.82619900
 C                  1.73882000   -5.12572000   -1.76285400
 C                  1.19710200   -5.02664200   -3.04865400
 C                  0.40001100   -3.91936900   -3.36971300
 C                  0.15725400   -2.92991500   -2.42974800
 C                 -1.08630000   -2.39866500    1.08443100
 C                 -1.47950700   -3.74227400    0.97860900
 C                 -2.50691700   -4.25030700    1.75910400
 C                 -3.17268000   -3.42894600    2.67872100
 C                 -2.79561500   -2.08703300    2.79501100
 C                 -1.76825800   -1.58763700    1.99562000
 H                 -0.47166100   -2.09457900   -2.70662700
 H                 -0.01998000   -3.85144000   -4.36737500
 H                  2.35503200   -5.96828400   -1.47657700
 H                  1.91645600   -4.23095600    0.16146400
 H                 -0.98312800   -4.40325800    0.27868900
 H                 -2.81174000   -5.28747500    1.67097400
 H                 -3.29381700   -1.42215200    3.48869700
 H                 -1.50559100   -0.54203600    2.08831400
 H                 -0.25273000    6.14938500    0.79195000
 H                  1.79935900    5.80895100   -2.96915400
 H                  2.20368200    3.42379700   -2.52939500
 H                  0.16897600    3.80513100    1.24086400
 H                  4.16115600    3.02968500   -0.15662900
 H                  2.45636700   -0.30741600   -2.25798700
 H                  4.58086800   -0.67971300   -3.41473900
 H                  6.30568800    2.64193600   -1.29686700
 C                  1.74507300   -1.90842800    1.29561500
 C                  3.06356500   -1.79358200    0.82112700
 C                  1.56717700   -2.23339800    2.64193500
 C                  4.14925400   -2.00279800    1.65355100
 H                  3.25184900   -1.55589800   -0.21817400
 C                  2.65243900   -2.44113200    3.49587300
 H                  0.57027700   -2.34360300    3.04958400
 C                  3.95489500   -2.32899300    3.00394500
 H                  5.16309200   -1.92067300    1.27726700
 H                  2.46345500   -2.69387500    4.53122200
 C                  1.72832900    1.56846300    1.53556600
 C                  2.95925100    1.62245600    2.19063200
 C                  0.56504700    1.55316400    2.32478600
 C                  3.04251400    1.67955700    3.58271300
 H                  3.88354100    1.60483500    1.62793000
 C                  0.63109500    1.61872300    3.70697200
 H                 -0.40681200    1.48764900    1.84693000
 C                  1.87484800    1.68667900    4.35109600
 H                  4.01919600    1.71194800    4.04788000
 H                 -0.27004300    1.61055700    4.31021100
 Cl                -0.60824200    1.79301300   -2.97501000
 C                 -3.71098100    0.84413300   -0.63903300
 O                 -2.09688600   -0.71604700   -1.56460400
 N                 -2.58059200    0.56246100   -0.16500400
 C                 -4.16680100    0.38084100   -2.01028800
 C                 -3.04073000   -0.56877800   -2.46645600
 O                 -3.05739900   -1.15117000   -3.53419400
 C                 -5.83570700   -1.56871600   -1.26430100
 C                 -4.97245500   -2.20486700   -0.47062400
 H                 -3.95476700   -1.87673200   -0.30490400
 H                 -5.26728800   -3.10836900    0.05388300
 C                 -4.22595300    1.59901400   -2.96204200
 H                 -4.42489300    1.24376700   -3.97496700
 H                 -3.28309600    2.14366900   -2.96987900
 H                 -5.03263100    2.27267800   -2.66620200
 C                 -4.51387700    1.74935700    0.25708000
 C                 -4.13527400    3.09107700    0.38526000
 C                 -5.62009300    1.26162700    0.96345200
 C                 -4.87884700    3.94669000    1.19529200
 H                 -3.26966100    3.46182900   -0.15108200
 C                 -6.35331300    2.12336100    1.77492000
 H                 -5.89634800    0.21687000    0.88579400
 C                 -5.98706900    3.46489500    1.88976600
 H                 -4.58691900    4.98714700    1.28652400
 H                 -7.21066500    1.74430400    2.32049600
 H                 -6.56222700    4.13128500    2.52352300
 C                 -7.24328200   -2.07760300   -1.46322800
 H                 -7.43917200   -2.29099400   -2.52001800
 H                 -7.98202100   -1.32901200   -1.15541000
 H                 -7.42613700   -2.98989900   -0.89310100
 C                 -5.55048800   -0.30742600   -2.05145500
 H                 -6.30491500    0.44363000   -1.78742100
 H                 -5.73669600   -0.52658900   -3.10949200
 O                  5.08195100   -2.51575700    3.73919500
 O                  1.38225900   -5.93596800   -4.03914900
 O                 -4.16472700   -4.01968800    3.39521100
 O                  1.83977900    1.74577300    5.70758400
 O                  0.57486600    7.44970900   -1.47650500
 O                  6.82296900    0.83984800   -2.99475600
 C                 -4.87363600   -3.23793300    4.35694100
 H                 -5.39713000   -2.40356800    3.88218900
 H                 -5.59964100   -3.91167700    4.80627800
 H                 -4.20193600   -2.85758400    5.13152700
 C                  4.94925400   -2.86042800    5.11830000
 H                  5.96432500   -2.96198000    5.49546700
 H                  4.43079100   -2.07502300    5.67535600
 H                  4.41894200   -3.80890800    5.24078700
 C                  2.18450300   -7.08697200   -3.77262800
 H                  2.19095900   -7.66106600   -4.69628600
 H                  3.20835300   -6.80485200   -3.51218200
 H                  1.75438300   -7.69299200   -2.97055600
 C                  3.07401300    1.81759800    6.42203500
 H                  2.80260700    1.86373700    7.47421000
 H                  3.68796500    0.93050700    6.24313800
 H                  3.63698800    2.71521900    6.15164600
 C                  7.03419400   -0.19129400   -3.96119400
 H                  6.37271500   -0.06729800   -4.82271100
 H                  8.06856600   -0.08700200   -4.28009500
 H                  6.88600000   -1.18132800   -3.52180400
 C                 -0.13442800    8.30658300   -0.58221800
 H                  0.37528400    8.38328800    0.38234000
 H                 -0.15134800    9.28311200   -1.06089300
 H                 -1.15993200    7.95893400   -0.42881600
 
126
TS1-Rh-2   SCF Done:  E(RM06) =  -4077.05210532
 Rh                 0.33908500    0.45520900   -0.23391400
 Cl                 1.08559300    1.43380800   -2.32262900
 P                  2.51370400   -0.56579100   -0.00443000
 C                  2.62528100   -2.28102800   -0.67271400
 C                  3.41961800   -3.30130400   -0.12524100
 C                  1.88199300   -2.57432300   -1.82149200
 C                  3.46930900   -4.55856000   -0.70816700
 H                  3.99852100   -3.12471100    0.77293000
 C                  1.93301400   -3.82920300   -2.42625100
 H                  1.24689700   -1.81029100   -2.25684600
 C                  2.73171700   -4.83377100   -1.86855700
 H                  4.07788400   -5.34717300   -0.27919600
 H                  1.34432600   -4.00962900   -3.31623100
 C                  3.21604400   -0.62840200    1.70093900
 C                  4.58270600   -0.88559700    1.92773900
 C                  2.41141100   -0.36545300    2.81065400
 C                  5.10428500   -0.90887900    3.20957800
 H                  5.25232800   -1.05443700    1.09208200
 C                  2.92360200   -0.38417700    4.10939000
 H                  1.36280800   -0.13655600    2.67966000
 C                  4.27663600   -0.66219700    4.31684600
 H                  6.15656400   -1.10857800    3.38026000
 H                  2.25852900   -0.17737400    4.93780500
 C                  3.87984400    0.31854400   -0.88184100
 C                  4.59661400   -0.23599200   -1.94930000
 C                  4.21700000    1.61031200   -0.46524800
 C                  5.61353500    0.47490800   -2.57441800
 H                  4.36613700   -1.23433800   -2.30179200
 C                  5.23626300    2.33374900   -1.07873500
 H                  3.67985200    2.07353300    0.35644300
 C                  5.94402400    1.76549100   -2.14532600
 H                  6.16836400    0.04188000   -3.39978700
 H                  5.46520000    3.32964800   -0.72174000
 O                  2.85110800   -6.09205500   -2.36417900
 O                  4.88261500   -0.70670800    5.53056500
 O                  6.95596100    2.37887500   -2.81669600
 C                  2.13361200   -6.43279000   -3.55135100
 C                  4.09667400   -0.45955100    6.69717700
 C                  7.33692500    3.69679900   -2.42397800
 H                  8.14932400    3.97946700   -3.08977300
 H                  6.50908800    4.40176800   -2.54142000
 H                  7.69162200    3.71666600   -1.38951900
 H                  3.29549100   -1.19674900    6.79833700
 H                  4.78105900   -0.55025300    7.53751800
 H                  3.67024700    0.54715700    6.68158200
 H                  2.38810800   -7.46914800   -3.76108800
 H                  1.05410800   -6.34631500   -3.40064600
 H                  2.43928300   -5.80521500   -4.39287600
 P                 -1.53596400    1.94714000   -0.36645400
 C                 -1.04686300    3.69651600   -0.02925000
 C                 -1.99258000    4.66151900    0.36386200
 C                  0.28838100    4.09631700   -0.13358100
 C                 -1.61651200    5.96861500    0.62659600
 H                 -3.03588100    4.38880000    0.47490200
 C                  0.68180300    5.40863700    0.13135800
 H                  1.03898800    3.37514000   -0.43138800
 C                 -0.27284200    6.35614600    0.51259500
 H                 -2.34852400    6.70960000    0.92904100
 H                  1.72768300    5.67211200    0.03984500
 C                 -2.91057400    1.72944400    0.84547000
 C                 -4.25925300    1.63359900    0.47295500
 C                 -2.60460400    1.71658900    2.21071700
 C                 -5.26063200    1.53736200    1.43008600
 H                 -4.53760600    1.64385000   -0.57413000
 C                 -3.59841100    1.62609100    3.18149600
 H                 -1.57163700    1.77879400    2.53468300
 C                 -4.94032700    1.53415800    2.79273400
 H                 -6.30307600    1.46509600    1.13924500
 H                 -3.31533400    1.61756300    4.22614900
 C                 -2.38965000    1.97509700   -1.99605600
 C                 -2.76593900    3.15160800   -2.65974600
 C                 -2.67642500    0.75082200   -2.60926500
 C                 -3.41348400    3.10254600   -3.88618400
 H                 -2.54859400    4.11945900   -2.22356100
 C                 -3.33475500    0.68696000   -3.83611900
 H                 -2.37639200   -0.17430500   -2.12832500
 C                 -3.70851100    1.87013800   -4.48418100
 H                 -3.69968000    4.01292000   -4.40171000
 H                 -3.53875700   -0.28117300   -4.27520400
 O                 -0.00457000    7.65652200    0.79680200
 O                 -5.98926000    1.42973200    3.65182500
 O                 -4.34749300    1.92772600   -5.68230800
 C                  1.34520000    8.11342400    0.70532000
 C                 -5.72710500    1.42566500    5.05520800
 C                 -4.66841000    0.70585100   -6.34693400
 H                 -5.16839600    0.99474700   -7.26865100
 H                 -3.76669100    0.13525400   -6.58591000
 H                 -5.34331400    0.09129100   -5.74455600
 H                 -5.24417500    2.35443100    5.37152900
 H                 -6.69916500    1.34150900    5.53591700
 H                 -5.10541300    0.57258800    5.34044500
 H                  1.31779400    9.16722300    0.97295300
 H                  1.99348600    7.57715000    1.40377100
 H                  1.73205900    8.00603800   -0.31174800
 C                 -1.52912000   -2.73583300    0.24429500
 O                 -0.70909600   -0.68453200    1.28124900
 N                 -1.28322200   -1.63939300   -0.32106100
 C                 -1.15523800   -2.98982700    1.69461500
 C                 -0.80521400   -1.58634400    2.22767000
 O                 -0.62525400   -1.35317400    3.40846700
 C                 -3.63642400   -3.12874900    2.63493500
 C                 -4.01773800   -1.93307000    2.18570000
 H                 -3.35563400   -1.24139300    1.68019800
 H                 -5.03704300   -1.58752700    2.32300500
 C                  0.14115500   -3.83547400    1.78841600
 H                  0.49255100   -3.81974200    2.82180400
 H                  0.93020300   -3.44552200    1.14696800
 H                 -0.05262900   -4.87337100    1.51555300
 C                 -2.23126200   -3.72448100   -0.64484000
 C                 -1.62241200   -4.93799000   -0.98966300
 C                 -3.49802200   -3.41112100   -1.15351600
 C                 -2.29230700   -5.83800900   -1.81452800
 H                 -0.62698900   -5.17525600   -0.63643300
 C                 -4.16153100   -4.31849700   -1.97525700
 H                 -3.96340200   -2.46968300   -0.88979400
 C                 -3.56169600   -5.53276300   -2.30570000
 H                 -1.81729400   -6.77713300   -2.07641700
 H                 -5.14650000   -4.07418600   -2.35778200
 H                 -4.07871600   -6.23764000   -2.94775900
 C                 -4.59992900   -4.04700800    3.34677600
 H                 -4.23142400   -4.30884900    4.34507500
 H                 -4.72026000   -4.99050300    2.80246000
 H                 -5.58502500   -3.59081000    3.45759500
 C                 -2.24235800   -3.70449400    2.51966300
 H                 -2.32456500   -4.72900800    2.13795500
 H                 -1.83504000   -3.81365100    3.53219300
 
126
TS2-Rh   SCF Done:  E(RM06) =  -4077.07607021
 Rh                 0.20138500    0.01526100   -1.20043700
 P                 -0.70878800   -1.93167100   -0.23543400
 P                 -0.88637100    1.80157200   -0.08030500
 C                  0.23358900   -3.34062300   -0.94609600
 C                  0.03582900   -3.69717100   -2.29372700
 C                  0.75927100   -4.72605400   -2.86744000
 C                  1.71737200   -5.42731500   -2.11637700
 C                  1.92782300   -5.07932800   -0.77807000
 C                  1.18788700   -4.04420000   -0.20696600
 C                 -2.44920800   -2.33313400   -0.65731000
 C                 -2.87524900   -3.67129900   -0.74673900
 C                 -4.20080200   -3.98215100   -0.99977200
 C                 -5.14858600   -2.96227100   -1.17207500
 C                 -4.73874900   -1.62741600   -1.09111300
 C                 -3.40073900   -1.32874100   -0.83998900
 C                 -2.57669100    2.20737100   -0.67916100
 C                 -3.62492000    2.54818500    0.18336300
 C                 -4.86416400    2.96021100   -0.30498600
 C                 -5.07207600    3.05202600   -1.68525600
 C                 -4.02232400    2.72892200   -2.55949600
 C                 -2.79903600    2.31468700   -2.06421000
 C                  0.00423200    3.39647100   -0.31589000
 C                 -0.69889100    4.59597800   -0.53130900
 C                 -0.02896900    5.80381600   -0.63555100
 C                  1.36815800    5.85606300   -0.52543300
 C                  2.08092600    4.67049900   -0.31285300
 C                  1.39602700    3.46168300   -0.21876700
 H                 -2.01394700    2.05271500   -2.76067200
 H                 -4.19165100    2.80715600   -3.62766400
 H                 -5.64654200    3.21244200    0.39878000
 H                 -3.48865500    2.51034800    1.25605900
 H                 -1.77786700    4.59448900   -0.61380900
 H                 -0.57340700    6.72679500   -0.80145800
 H                  3.15999800    4.67191400   -0.22997000
 H                  1.95206500    2.54668500   -0.06917700
 H                  2.65253900   -5.60417000   -0.16941600
 H                  0.60407800   -5.00605400   -3.90351400
 H                 -0.68232100   -3.15438400   -2.89729300
 H                  1.36332300   -3.79968200    0.83355200
 H                 -2.16670000   -4.48098200   -0.62041500
 H                 -3.10686100   -0.28858000   -0.82026700
 H                 -5.43934500   -0.81534200   -1.23383300
 H                 -4.52591000   -5.01412700   -1.07098100
 C                 -1.06324600    1.62948300    1.73497900
 C                 -1.98783200    0.71835400    2.27653600
 C                 -0.30562300    2.39881200    2.62266200
 C                 -2.15982100    0.60191300    3.64359600
 H                 -2.59821500    0.10007800    1.62973700
 C                 -0.45849000    2.27973300    4.00334400
 H                  0.41226600    3.11703600    2.24772300
 C                 -1.39271500    1.37905000    4.52390800
 H                 -2.87793500   -0.09759600    4.05477600
 H                  0.14855000    2.89703900    4.65251000
 C                 -0.59649500   -2.17614000    1.58224300
 C                 -1.57343500   -2.89855100    2.27754400
 C                  0.51849400   -1.70652300    2.29774200
 C                 -1.44866800   -3.16096000    3.63996700
 H                 -2.45516500   -3.26571000    1.76805900
 C                  0.65531500   -1.97217900    3.64992600
 H                  1.25550100   -1.09924600    1.78397400
 C                 -0.32555300   -2.70139400    4.33658600
 H                 -2.22937000   -3.71965400    4.13965100
 H                  1.51426200   -1.60752300    4.20272600
 Cl                -1.15163700   -0.34357600   -3.38171400
 C                  2.93032900    0.00428200   -0.34503100
 O                  1.47471000    1.64059400   -2.58982000
 N                  1.67951600    0.14971800    0.09337500
 C                  3.42374600   -0.31051600   -1.64251700
 C                  2.59241900    1.56679700   -2.97281200
 O                  3.52492800    1.80089800   -3.64662500
 C                  5.93794600    0.62745500   -1.58070800
 C                  5.67942900    1.88324600   -1.22003200
 H                  4.67161900    2.26546500   -1.12599200
 H                  6.48277300    2.57875800   -0.99393500
 C                  2.62088000   -1.21427900   -2.56389800
 H                  2.46593600   -0.84294200   -3.58105500
 H                  1.62138500   -1.43865400   -2.16856000
 H                  3.13319800   -2.18175800   -2.67369600
 C                  3.89442100    0.09476100    0.82658600
 C                  4.68856900   -1.01618800    1.13846800
 C                  3.93018400    1.19509000    1.69165100
 C                  5.51432300   -1.01811900    2.26256100
 H                  4.64980000   -1.89619500    0.50568900
 C                  4.76448900    1.20410000    2.80660200
 H                  3.30385400    2.05550400    1.49237100
 C                  5.56337200    0.09710600    3.09696000
 H                  6.11526600   -1.89395300    2.48703700
 H                  4.78691800    2.07511800    3.45429300
 H                  6.20936600    0.10137300    3.96904300
 C                  7.35855900    0.12918400   -1.69846100
 H                  7.55424800   -0.27752900   -2.69775600
 H                  7.54845600   -0.68578300   -0.99039200
 H                  8.08541300    0.92127100   -1.50723600
 C                  4.90536900   -0.41348600   -1.97888700
 H                  5.28085400   -1.39617200   -1.64938800
 H                  4.96979000   -0.47938200   -3.07498900
 O                 -1.63007300    1.18592900    5.84470000
 O                 -6.23097400    3.44009700   -2.26798000
 O                  1.92753500    7.08420900   -0.64213700
 O                 -0.10262500   -2.90083800    5.65944400
 O                  2.37377900   -6.41591400   -2.77056400
 O                 -6.41821400   -3.36839300   -1.41663800
 C                  3.34813100    7.20598300   -0.54266000
 H                  3.84937500    6.64079100   -1.33274600
 H                  3.56056500    8.26549800   -0.66390300
 H                  3.70606200    6.87174200    0.43473000
 C                 -0.87858800    1.94235700    6.79588500
 H                 -1.23428000    1.62201500    7.77230500
 H                  0.19104900    1.73317600    6.71089800
 H                 -1.05574000    3.01469300    6.67731200
 C                 -7.33856000    3.78916400   -1.43461000
 H                 -8.14277900    4.05989300   -2.11449000
 H                 -7.65137000    2.94240600   -0.81803400
 H                 -7.09821200    4.64283700   -0.79555400
 C                 -1.07731600   -3.61526900    6.42120000
 H                 -0.69008400   -3.64785900    7.43690600
 H                 -2.04043000   -3.09779000    6.41492400
 H                 -1.20359700   -4.63475100    6.04696600
 C                 -7.43038000   -2.37955300   -1.61595500
 H                 -7.20700000   -1.75511400   -2.48497700
 H                 -8.34967000   -2.93264700   -1.79338400
 H                 -7.54877500   -1.75050000   -0.72966800
 C                  3.36835100   -7.16376400   -2.06813300
 H                  2.93532900   -7.69481200   -1.21628800
 H                  3.75527100   -7.88348200   -2.78556700
 H                  4.18056300   -6.51695900   -1.72585500
 
126
TS2-Rh-1   SCF Done:  E(RM06) =  -4077.03768134 
 Rh                 0.25375100    0.30784700   -0.03442700
 Cl                 0.67365500    0.93646200   -2.30969600
 P                  2.54327700   -0.66584200   -0.07095900
 C                  2.71169600   -2.31002500   -0.87284800
 C                  3.30934600   -3.42216700   -0.25958600
 C                  2.15994700   -2.48138000   -2.14915100
 C                  3.37414400   -4.64657800   -0.90830100
 H                  3.72628200   -3.34327200    0.73616000
 C                  2.22543800   -3.70417500   -2.81329100
 H                  1.66636200   -1.64979500   -2.63829600
 C                  2.83927600   -4.79928400   -2.19414800
 H                  3.83762400   -5.50321200   -0.43137300
 H                  1.79188800   -3.78887600   -3.80130200
 C                  3.50406400   -0.73872800    1.50421300
 C                  4.85667400   -1.13201900    1.50768900
 C                  2.95550100   -0.28494100    2.70446800
 C                  5.60515700   -1.10854000    2.67082800
 H                  5.33606600   -1.45103800    0.58908500
 C                  3.70082400   -0.24683600    3.88457800
 H                  1.93196200    0.06308600    2.73349000
 C                  5.03236800   -0.66910800    3.87559600
 H                  6.64459300   -1.41772800    2.67099200
 H                  3.23195600    0.11416500    4.79066400
 C                  3.65989600    0.44854700   -1.03415400
 C                  4.44171900    0.02626900   -2.11617800
 C                  3.76170300    1.78276800   -0.62786300
 C                  5.29081400    0.91015800   -2.76957500
 H                  4.39464800   -1.00043300   -2.45832100
 C                  4.61018400    2.67940800   -1.27156200
 H                  3.17157000    2.14326900    0.20914100
 C                  5.38307600    2.24436000   -2.35561000
 H                  5.89625900    0.58173700   -3.60741100
 H                  4.65886100    3.70295500   -0.92298800
 O                  2.95939300   -6.03379300   -2.74671900
 O                  5.84926100   -0.68245300    4.95796300
 O                  6.24261900    3.02979300   -3.05720300
 C                  2.43020400   -6.25424900   -4.05468400
 C                  5.33151500   -0.24076300    6.21401600
 C                  6.37677800    4.40106300   -2.68455400
 H                  7.10444800    4.82356100   -3.37374300
 H                  5.42768300    4.93486300   -2.78596600
 H                  6.74650000    4.50006800   -1.66008100
 H                  4.49151500   -0.86211800    6.53606500
 H                  6.15073700   -0.34338300    6.92176000
 H                  5.01927300    0.80604200    6.16743300
 H                  2.64316400   -7.29534500   -4.28621200
 H                  1.34943700   -6.08994200   -4.07816200
 H                  2.91618400   -5.61041200   -4.79289100
 P                 -1.69327900    1.79223600   -0.12502500
 C                 -1.14264400    3.53104700    0.13175800
 C                 -1.96108400    4.49854700    0.74316600
 C                  0.11680900    3.93509400   -0.32682700
 C                 -1.53263400    5.80751900    0.89132100
 H                 -2.94450000    4.23008700    1.10957300
 C                  0.55863200    5.24943000   -0.18385500
 H                  0.76787800    3.22446700   -0.82148700
 C                 -0.26635100    6.19740600    0.43062500
 H                 -2.16708300    6.55016200    1.36240400
 H                  1.54014100    5.51582000   -0.55384100
 C                 -2.96590000    1.53591600    1.17683000
 C                 -4.21747200    0.97288100    0.87945400
 C                 -2.69556100    1.86423100    2.51160700
 C                 -5.15682200    0.75168300    1.87499800
 H                 -4.46956000    0.71590400   -0.14213700
 C                 -3.63230400    1.65103700    3.52010000
 H                 -1.74497000    2.31028500    2.78236100
 C                 -4.87442800    1.08655700    3.20617100
 H                 -6.12409600    0.32159200    1.64003500
 H                 -3.38197700    1.92583300    4.53636400
 C                 -2.64434600    1.80743800   -1.69343500
 C                 -3.25810100    2.97497700   -2.17551700
 C                 -2.79603500    0.62314800   -2.42020900
 C                 -4.00518100    2.95249900   -3.34271300
 H                 -3.15050300    3.91352800   -1.64450700
 C                 -3.55102300    0.58968300   -3.59200600
 H                 -2.30828700   -0.27841500   -2.06615500
 C                 -4.16181100    1.75795600   -4.06083000
 H                 -4.47706300    3.85324400   -3.71982700
 H                 -3.64628300   -0.34549200   -4.12873200
 O                  0.06097300    7.49845000    0.62521800
 O                 -5.85706700    0.83237100    4.10581500
 O                 -4.91337400    1.83953500   -5.18906700
 C                  1.33516600    7.96171600    0.17407300
 C                 -5.62726000    1.14480800    5.48083500
 C                 -5.10654200    0.66029600   -5.97084300
 H                 -5.73005200    0.96225800   -6.80928500
 H                 -4.15526800    0.27271900   -6.34553700
 H                 -5.61940600   -0.11639500   -5.39695200
 H                 -5.45289700    2.21517800    5.61992700
 H                 -6.53581200    0.85497700    6.00339000
 H                 -4.78130500    0.57814800    5.87897500
 H                  1.37100600    9.01777500    0.43088300
 H                  2.14917500    7.43581100    0.68012000
 H                  1.43759000    7.84610100   -0.90820700
 C                 -1.22860000   -2.36672000    0.15092700
 O                 -0.28872000   -0.06430100    2.14841200
 N                 -0.92827500   -1.28905100   -0.54340500
 C                 -0.88626900   -3.00958300    1.35977000
 C                 -0.87622700   -0.71595800    2.93239600
 O                 -1.37594300   -1.12551700    3.89697000
 C                 -2.94009100   -4.25901300    2.50270600
 C                 -3.65299900   -3.15937200    2.74363100
 H                 -3.31309800   -2.18364000    2.42358300
 H                 -4.60175000   -3.20274500    3.27205000
 C                  0.52423600   -2.97800400    1.91241600
 H                  0.54185900   -3.06352000    3.00661400
 H                  1.07390400   -2.08099500    1.64234500
 H                  1.12324800   -3.82187100    1.53689500
 C                 -2.26351500   -3.04502900   -0.75284300
 C                 -1.83549700   -4.02370500   -1.66000000
 C                 -3.61574600   -2.69601100   -0.72387200
 C                 -2.74525600   -4.65287400   -2.50599000
 H                 -0.78403000   -4.29046800   -1.69709300
 C                 -4.52974000   -3.32936100   -1.56837800
 H                 -3.95480100   -1.93155300   -0.03542700
 C                 -4.09848100   -4.30831200   -2.46171400
 H                 -2.39918100   -5.41064300   -3.20223300
 H                 -5.57898900   -3.05309100   -1.52908300
 H                 -4.80827500   -4.79793700   -3.12084800
 C                 -3.42263100   -5.61974000    2.94655000
 H                 -2.70609000   -6.09109000    3.62981100
 H                 -3.52437800   -6.29964900    2.09217400
 H                 -4.38875600   -5.56745700    3.45326400
 C                 -1.61087500   -4.29305600    1.76074600
 H                 -1.76791400   -4.94947300    0.88969200
 H                 -0.92803400   -4.87729500    2.39380500
 
126
TS3-Rh   SCF Done:  E(RM06) =  -4077.08637720
 Rh                -0.03145600   -0.27756500   -1.35407700
 Cl                 0.27399600    1.76855600   -2.94631300
 P                 -1.63735300    1.10991100   -0.02958100
 C                 -1.18190900    2.86883800    0.27606900
 C                 -1.65052200    3.91317100   -0.52394900
 C                 -0.32506400    3.19101200    1.34375100
 C                 -1.28781800    5.23816600   -0.28067700
 H                 -2.31679800    3.70860200   -1.35237800
 C                  0.03601500    4.50272700    1.60140300
 H                  0.06216900    2.41137300    1.98862500
 C                 -0.43934900    5.54192600    0.78816900
 H                 -1.67708400    6.01494000   -0.92603100
 H                  0.69241400    4.74637900    2.42942100
 C                 -2.26844500    0.56792100    1.61382600
 C                 -2.74662600    1.48277700    2.56973300
 C                 -2.40237400   -0.79502200    1.88859700
 C                 -3.31933200    1.04540500    3.75315000
 H                 -2.68247400    2.54836800    2.39010100
 C                 -2.98197900   -1.24800200    3.07246100
 H                 -2.01785900   -1.51443600    1.17733200
 C                 -3.44373800   -0.32626300    4.01760000
 H                 -3.68509100    1.75369700    4.48853300
 H                 -3.05499700   -2.31364700    3.24683700
 C                 -3.19350200    1.20485600   -1.03117300
 C                 -3.14633800    1.42352100   -2.41949200
 C                 -4.45286300    1.07081800   -0.43581500
 C                 -4.30764800    1.52665700   -3.16789700
 H                 -2.18958700    1.52008000   -2.91690900
 C                 -5.62830600    1.16556600   -1.18033000
 H                 -4.53995100    0.88967300    0.62749700
 C                 -5.56297500    1.39892500   -2.55718100
 H                 -4.26430300    1.70053800   -4.23776500
 H                 -6.57869200    1.05621000   -0.67392300
 P                  2.01370000    0.07204800   -0.19099600
 C                  3.20610400   -1.32019300   -0.39464200
 C                  3.93540100   -1.46997400   -1.58176700
 C                  3.43161300   -2.25258800    0.63060800
 C                  4.85624300   -2.49973600   -1.75244400
 H                  3.80900100   -0.76594900   -2.39509500
 C                  4.34443800   -3.28394000    0.47351000
 H                  2.89882800   -2.17410200    1.56905000
 C                  5.06667300   -3.42109900   -0.71944600
 H                  5.39994300   -2.56740300   -2.68555900
 H                  4.51724900   -3.99645800    1.27236100
 C                  1.81467000    0.21078100    1.63114000
 C                  2.57657300    1.11871100    2.37739900
 C                  0.94296500   -0.65183300    2.31729500
 C                  2.48186600    1.17256000    3.76630500
 H                  3.25601700    1.80196700    1.88465600
 C                  0.84946300   -0.60975200    3.69873500
 H                  0.34190700   -1.34973000    1.74519500
 C                  1.61610900    0.30173100    4.43864000
 H                  3.08635400    1.89042300    4.30531200
 H                  0.17401400   -1.27202800    4.22842900
 C                  3.02639400    1.55309800   -0.61423500
 C                  2.41598500    2.80773900   -0.77934100
 C                  4.42643000    1.50238300   -0.63480500
 C                  3.17144900    3.95145800   -0.97187900
 H                  1.34112900    2.89305000   -0.76684100
 C                  5.19779500    2.64581800   -0.83714200
 H                  4.94583300    0.56697200   -0.47788400
 C                  4.57141300    3.88367400   -1.01187400
 H                  2.69284800    4.91586400   -1.10022200
 H                  6.27602300    2.55383500   -0.84804500
 O                  5.93656900   -4.45851500   -0.77443600
 O                  5.21900700    5.05635100   -1.21778500
 O                  1.44938000    0.26622000    5.78354400
 O                 -4.01786000   -0.65253500    5.20303800
 O                 -6.63992900    1.51134700   -3.37621000
 O                 -0.02488600    6.79198900    1.11813800
 C                  2.19535100    1.17619800    6.59405900
 H                  1.95260700    2.21378800    6.34963500
 H                  1.89941000    0.96644000    7.61922800
 H                  3.27088800    1.01345400    6.48479100
 C                 -4.17589000   -2.03347400    5.53187300
 H                 -4.65163900   -2.05004700    6.50971100
 H                 -4.81640000   -2.54254600    4.80658500
 H                 -3.20884800   -2.54041700    5.58881400
 C                 -0.47829200    7.89424300    0.33122600
 H                 -0.02498200    8.77794400    0.77435400
 H                 -0.15213900    7.80000300   -0.70811000
 H                 -1.56725000    7.98603700    0.36836200
 C                  6.64692400    5.05341100   -1.26889500
 H                  6.93636100    6.08650400   -1.44635700
 H                  7.07590000    4.71220100   -0.32294800
 H                  7.01208800    4.42685300   -2.08698700
 C                 -7.94593800    1.38729600   -2.81214300
 H                 -8.63781400    1.51065800   -3.64217100
 H                 -8.09099700    0.40197200   -2.36077400
 H                 -8.13080000    2.16468000   -2.06563300
 C                  6.70635500   -4.64942700   -1.96335100
 H                  7.32011100   -5.52752000   -1.77720200
 H                  6.06138200   -4.83195000   -2.82691700
 H                  7.35137700   -3.78875800   -2.15928700
 C                 -0.58971000   -3.13661400   -0.71379900
 O                 -3.05971000   -1.95390300   -2.10562200
 N                 -0.33634900   -1.91670800   -0.29896400
 C                 -0.98206600   -3.72309900   -1.96923500
 C                 -3.07068200   -3.10961500   -1.81104800
 O                 -3.68544300   -4.08899600   -1.51550100
 C                 -0.06053000   -1.82536400   -3.59429400
 C                  1.10045600   -1.47907500   -2.94588900
 H                  1.59742200   -2.22737500   -2.34416100
 H                  1.71228000   -0.68888000   -3.36197300
 C                 -1.07906700   -5.23839700   -2.05507800
 H                 -1.58976000   -5.52944100   -2.97775400
 H                 -1.63743500   -5.66678900   -1.22581800
 H                 -0.08873100   -5.71147400   -2.07005400
 C                 -0.55632700   -4.10203800    0.47095900
 C                 -1.68477800   -4.36479500    1.25559500
 C                  0.65134900   -4.72254400    0.81009800
 C                 -1.60632300   -5.22285300    2.35305300
 H                 -2.63704700   -3.91595000    0.99749300
 C                  0.73233200   -5.58056800    1.90649600
 H                  1.53678400   -4.52991400    0.21354000
 C                 -0.39715600   -5.83345900    2.68442000
 H                 -2.49422700   -5.41717100    2.94688600
 H                  1.67942100   -6.05105500    2.15239100
 H                 -0.33648400   -6.50082500    3.53805000
 C                 -0.61772300   -1.02865700   -4.73578000
 H                 -1.66567600   -0.76999000   -4.56107200
 H                 -0.60212200   -1.65520200   -5.63692800
 H                 -0.05507800   -0.11805600   -4.92252700
 C                 -0.71839400   -3.14148400   -3.35431400
 H                 -0.02400800   -3.85262000   -3.83166100
 H                 -1.62388100   -3.21501700   -3.96288800
 
126
TS3-Rh-1   SCF Done:  E(RM06) =  -4077.06615484 
 Rh                 0.30797000   -0.92450500   -0.80827600
 Cl                 0.12705300    0.04029600   -3.10815200
 P                  1.17733200    1.11565300    0.11367400
 C                  0.20045300    2.67956800    0.13679900
 C                  0.17126500    3.53540700    1.24050400
 C                 -0.34017800    3.14198500   -1.07602600
 C                 -0.37244200    4.81740500    1.15234300
 H                  0.59099900    3.22582500    2.18925500
 C                 -0.87615500    4.41360900   -1.17568000
 H                 -0.33038300    2.50111700   -1.95022100
 C                 -0.89366000    5.26640800   -0.06251500
 H                 -0.37237700    5.44856200    2.03162300
 H                 -1.29194100    4.77030300   -2.11129100
 C                  2.72383300    1.78302300   -0.64699100
 C                  3.38594300    2.85263200   -0.01533100
 C                  3.19504900    1.36002500   -1.88952200
 C                  4.49187800    3.45126500   -0.59359600
 H                  3.03919800    3.22694100    0.94108900
 C                  4.30012100    1.96675900   -2.49000500
 H                  2.70462100    0.53845900   -2.38615200
 C                  4.95978100    3.01393800   -1.84237800
 H                  5.00629000    4.26795900   -0.09896300
 H                  4.63316400    1.60774900   -3.45537300
 C                  1.60852000    0.79297100    1.86716500
 C                  0.60420900    0.73073300    2.84959000
 C                  2.92517200    0.53684700    2.26113500
 C                  0.91304900    0.46295500    4.17226500
 H                 -0.43287500    0.89933100    2.58559900
 C                  3.24894900    0.25864500    3.58807400
 H                  3.72428300    0.56119400    1.53090700
 C                  2.24074800    0.22527800    4.55694400
 H                  0.13636000    0.42449600    4.92773700
 H                  4.28301900    0.07265800    3.84747500
 P                 -2.30101900   -0.47092700   -0.37442800
 C                 -3.37728200   -1.51474500   -1.47722600
 C                 -4.41429200   -2.32289200   -1.00325200
 C                 -3.15193400   -1.49839100   -2.86663400
 C                 -5.20969900   -3.08068400   -1.86459200
 H                 -4.61634700   -2.38777400    0.05818100
 C                 -3.94000500   -2.23844500   -3.73462900
 H                 -2.33942400   -0.90869700   -3.27607000
 C                 -4.98043700   -3.03856400   -3.24254800
 H                 -5.99705600   -3.69402300   -1.44558400
 H                 -3.75929100   -2.21670100   -4.80386700
 C                 -3.12866800    1.18433300   -0.57290100
 C                 -3.18470000    2.08615600    0.49469000
 C                 -3.72359300    1.57660700   -1.78256800
 C                 -3.83288900    3.31503400    0.38615900
 H                 -2.73402400    1.83320100    1.44684200
 C                 -4.36403100    2.80008100   -1.90842700
 H                 -3.71221600    0.91846000   -2.64138800
 C                 -4.43325800    3.67985300   -0.82223900
 H                 -3.85495600    3.97360500    1.24454300
 H                 -4.82939500    3.08859100   -2.84482800
 C                 -2.83265300   -0.93859200    1.33176900
 C                 -1.93758500   -1.60272900    2.18423300
 C                 -4.11772600   -0.66736700    1.82277300
 C                 -2.31405900   -1.99016700    3.46279100
 H                 -0.92730900   -1.81732500    1.85990600
 C                 -4.50976500   -1.04809800    3.10345800
 H                 -4.83559400   -0.14178200    1.20390500
 C                 -3.60440900   -1.71995200    3.93498200
 H                 -1.61502300   -2.49960000    4.11677400
 H                 -5.51264500   -0.81574400    3.43788900
 O                 -5.69283900   -3.72916600   -4.17008200
 O                 -3.87779500   -2.13610100    5.19725200
 O                 -5.09991500    4.84555700   -1.04081300
 O                  6.04556700    3.66859600   -2.33064900
 O                  2.44083600   -0.02958400    5.87415600
 O                 -1.44058100    6.49641900   -0.25991700
 C                 -5.16367000    5.80382900    0.01476300
 H                 -4.16340600    6.14510800    0.29189400
 H                 -5.73603800    6.64027900   -0.38054700
 H                 -5.67511800    5.39795500    0.89226400
 C                  6.56793900    3.27402900   -3.59943000
 H                  7.42127500    3.92344400   -3.78147900
 H                  6.89945700    2.23217100   -3.58477800
 H                  5.82883700    3.41305400   -4.39329600
 C                 -1.36532900    7.45409300    0.79731200
 H                 -1.80854900    8.36509300    0.40174900
 H                 -1.93044400    7.12694900    1.67427300
 H                 -0.32696400    7.64604300    1.08055000
 C                 -5.17671600   -1.88814000    5.73720900
 H                 -5.16185400   -2.30566200    6.74128000
 H                 -5.38519400   -0.81622100    5.79191800
 H                 -5.95240500   -2.38478800    5.14802000
 C                  3.76759700   -0.30677800    6.32572000
 H                  3.68236400   -0.48602200    7.39492900
 H                  4.17285700   -1.19725300    5.83778600
 H                  4.43137800    0.54429200    6.15099700
 C                 -6.76086600   -4.56712900   -3.72775000
 H                 -7.17942300   -5.01045600   -4.62837600
 H                 -6.39629300   -5.35932200   -3.06789400
 H                 -7.53333200   -3.98768900   -3.21457200
 C                  2.88613700   -2.44566400   -0.76118300
 O                  1.25528100   -2.71793800    1.90768400
 N                  2.20911500   -1.36814800   -1.05455800
 C                  2.55113600   -3.76223100   -0.29110600
 C                  2.34325000   -3.19671200    1.85898000
 O                  3.34460600   -3.57140600    2.37870300
 C                 -0.05349800   -3.73236100   -0.87831700
 C                 -0.10434800   -2.94177800   -1.98932800
 H                  0.75920900   -2.84747100   -2.63351800
 H                 -1.05801400   -2.68972800   -2.42852800
 C                  3.64874400   -4.81125700   -0.26741900
 H                  3.30720900   -5.69864700    0.27333100
 H                  4.55323700   -4.45670600    0.22220000
 H                  3.92418400   -5.13749000   -1.27896200
 C                  4.37502700   -2.17748100   -0.98010000
 C                  5.21049300   -1.74487200    0.05368000
 C                  4.91454500   -2.33264700   -2.26192200
 C                  6.55791400   -1.47427800   -0.18806100
 H                  4.81255100   -1.63440400    1.05567000
 C                  6.26080300   -2.06502900   -2.50472300
 H                  4.27510200   -2.66278400   -3.07484100
 C                  7.08837900   -1.63282900   -1.46757200
 H                  7.19263200   -1.13869300    0.62624200
 H                  6.66319000   -2.19323000   -3.50481300
 H                  8.13623100   -1.42234000   -1.65553800
 C                 -1.28964300   -4.19061300   -0.16072200
 H                 -1.21520300   -4.02423800    0.91553000
 H                 -1.38586800   -5.27512500   -0.29854100
 H                 -2.19603700   -3.72293800   -0.53679100
 C                  1.19942700   -4.43661100   -0.45450700
 H                  1.34276500   -5.19851400   -1.23912500
 H                  0.99503700   -5.02725500    0.44366500
 
80
TS3-Rh-2   SCF Done:  E(RM06) =  -2697.63922326
 Rh                 0.40792000   -1.23386900   -0.88973000
 Cl                -1.01899500   -3.33045000   -0.56139700
 P                 -1.13279100    0.10305200    0.20451000
 C                 -0.86744400   -0.18422600    1.99552800
 C                 -0.92228700    0.88307500    2.91012300
 C                 -0.62994500   -1.47220300    2.49345000
 C                 -0.74369400    0.66537100    4.26575000
 H                 -1.10696700    1.89237400    2.56561500
 C                 -0.45079500   -1.69979300    3.85485400
 H                 -0.59082300   -2.31700800    1.81633900
 C                 -0.50350900   -0.62752600    4.75381800
 H                 -0.78685500    1.48856700    4.97002700
 H                 -0.26970400   -2.71009200    4.19756800
 C                 -2.86673800   -0.35016700   -0.15235300
 C                 -3.68096300   -0.94530800    0.82484900
 C                 -3.41869000   -0.11599800   -1.41738100
 C                 -4.99119600   -1.29313800    0.54218300
 H                 -3.29240400   -1.13868600    1.81654700
 C                 -4.73367800   -0.46067600   -1.71364600
 H                 -2.83558400    0.36115300   -2.19595700
 C                 -5.53161700   -1.05966900   -0.73039600
 H                 -5.61891800   -1.75073900    1.29844800
 H                 -5.12000800   -0.25711500   -2.70351700
 C                 -1.03908800    1.91567600    0.00247200
 C                  0.19997100    2.57257700    0.13853900
 C                 -2.18645000    2.69455900   -0.18963200
 C                  0.27850400    3.95127100    0.07298300
 H                  1.09725700    1.98182700    0.27594400
 C                 -2.11420800    4.08421500   -0.26100600
 H                 -3.15981800    2.22979700   -0.27611000
 C                 -0.87657200    4.72386400   -0.13109500
 H                  1.23130100    4.45880000    0.17538100
 H                 -3.02531700    4.64875100   -0.40949700
 O                 -0.33855700   -0.73453600    6.09250700
 O                 -6.81847100   -1.43812300   -0.90783900
 O                 -0.69129100    6.06257500   -0.18362800
 C                 -0.08367700   -2.02407700    6.65553500
 C                 -7.42874000   -1.23551400   -2.18502200
 C                 -1.82506100    6.90987300   -0.38790500
 H                 -1.43416800    7.92437700   -0.39640000
 H                 -2.30912800    6.69678900   -1.34439300
 H                 -2.54798700    6.80389900    0.42495200
 H                 -6.90248800   -1.79024600   -2.96605200
 H                 -8.44215900   -1.61734500   -2.08853500
 H                 -7.46196000   -0.17377600   -2.44270600
 H                  0.01521200   -1.86137200    7.72601300
 H                 -0.91422000   -2.70872600    6.46549500
 H                  0.84378000   -2.44920300    6.26340100
 C                  2.99833100   -0.07525900   -0.96320800
 O                  2.13068900   -2.92059900   -1.45654400
 N                  1.83072900   -0.05722500   -0.33386800
 C                  3.24956400   -0.40786600   -2.30063600
 C                  3.29627200   -2.77371100   -1.61926700
 O                  4.42926700   -3.04671200   -1.71450800
 C                  0.68641400   -0.25154800   -2.88703200
 C                 -0.29454600   -1.26451100   -2.92755800
 H                 -0.03551200   -2.25719100   -3.27914800
 H                 -1.34372500   -1.01154600   -3.00700400
 C                  4.60505000   -0.23604300   -2.94045200
 H                  4.76319000   -0.99684800   -3.71280300
 H                  5.42061600   -0.33176200   -2.22410600
 H                  4.71061200    0.73832100   -3.43933200
 C                  4.11993900    0.36171500   -0.04897200
 C                  4.51190300   -0.44314400    1.02591900
 C                  4.74350900    1.60188800   -0.22976800
 C                  5.52427400   -0.02752400    1.89035300
 H                  4.02381300   -1.39866000    1.18627700
 C                  5.74857600    2.02206900    0.63946500
 H                  4.44046100    2.23858200   -1.05441800
 C                  6.14436400    1.20658200    1.70006900
 H                  5.82452700   -0.66657900    2.71453300
 H                  6.22316800    2.98626900    0.48769900
 H                  6.92932800    1.53244700    2.37471800
 C                  0.30188800    1.19915800   -3.01085600
 H                  0.32896900    1.46245000   -4.07525600
 H                  1.00682100    1.85250000   -2.49656300
 H                 -0.70027500    1.41274900   -2.64524200
 C                  2.11640300   -0.55194300   -3.31561600
 H                  2.33235500    0.13966600   -4.14248600
 H                  2.14041600   -1.54901300   -3.77287200
 
126
TS3-Rh-3   SCF Done:  E(RM06) =  -4077.07187951
 Rh                -0.39013000   -0.91206200   -0.23712000
 Cl                -0.09525100   -0.58835400   -2.71248400
 P                  2.28686900   -0.49486200   -0.07528600
 C                  2.91294800   -0.31970900    1.65806800
 C                  3.85507900   -1.16664800    2.24637400
 C                  2.39586200    0.72436700    2.44646500
 C                  4.27302200   -0.99500000    3.56765000
 H                  4.27712400   -1.98858400    1.68134100
 C                  2.80805900    0.91472600    3.75551800
 H                  1.67489000    1.41605700    2.02444000
 C                  3.75114600    0.05151100    4.33296200
 H                  5.00188700   -1.68092700    3.97965600
 H                  2.40996400    1.72771200    4.35274700
 C                  3.24058100    0.83447500   -0.95641700
 C                  4.13127500    1.70319500   -0.30976700
 C                  3.12950500    0.93034900   -2.34829000
 C                  4.87444100    2.63209400   -1.02542700
 H                  4.25844200    1.65890700    0.76460600
 C                  3.87128600    1.85597600   -3.07896700
 H                  2.44857200    0.27620100   -2.87959900
 C                  4.75283900    2.71845000   -2.41718100
 H                  5.56130600    3.30212400   -0.51958700
 H                  3.75315400    1.89246400   -4.15448500
 C                  3.17856600   -1.97479800   -0.74441200
 C                  2.47999700   -3.12132500   -1.15048500
 C                  4.57046600   -1.97076300   -0.90838000
 C                  3.14489100   -4.22097000   -1.67595400
 H                  1.40234300   -3.16865600   -1.07919400
 C                  5.25234300   -3.06777400   -1.42913400
 H                  5.14693700   -1.09392300   -0.63582200
 C                  4.53793700   -4.20837200   -1.81613600
 H                  2.59554100   -5.10095300   -1.99214400
 H                  6.32838900   -3.01710100   -1.53469300
 P                 -1.29914100    1.22325000    0.13729300
 C                 -2.30989700    1.34294200    1.66656600
 C                 -1.72809400    1.33424000    2.94079600
 C                 -3.71184500    1.40272000    1.58752800
 C                 -2.49847900    1.41097400    4.09817200
 H                 -0.65348000    1.26366100    3.05644100
 C                 -4.49020900    1.47025500    2.73153300
 H                 -4.20360800    1.40070100    0.62318800
 C                 -3.89318100    1.48052800    4.00005700
 H                 -2.00196300    1.41047600    5.05956800
 H                 -5.57116000    1.52056300    2.66403900
 C                 -2.43130000    1.83107000   -1.18931700
 C                 -2.66887200    3.20990700   -1.28157100
 C                 -3.11273900    0.97973700   -2.07042400
 C                 -3.55827800    3.73313700   -2.21625600
 H                 -2.16221500    3.90219300   -0.62040400
 C                 -3.99636200    1.49298300   -3.00784500
 H                 -2.94654800   -0.08626400   -1.99010000
 C                 -4.22877800    2.87188900   -3.09308900
 H                 -3.71330300    4.80368900   -2.25044000
 H                 -4.52166400    0.83450800   -3.69129800
 C                 -0.10364700    2.61484700    0.21168900
 C                  0.65024200    2.87152800   -0.94868200
 C                 -0.01210900    3.52265600    1.27108100
 C                  1.45763400    3.98875200   -1.03961300
 H                  0.59114700    2.19373600   -1.79186200
 C                  0.81553800    4.64341200    1.19718700
 H                 -0.60596300    3.39207900    2.16539800
 C                  1.55662900    4.88417000    0.03639400
 H                  2.03800600    4.18239600   -1.93357400
 H                  0.85516300    5.32046100    2.04048200
 O                 -4.73881400    1.55661700    5.05518500
 O                  2.38573000    5.94008800   -0.14701100
 O                 -5.10869500    3.27257400   -4.04499700
 O                  5.52313000    3.65852500   -3.02818400
 O                  5.09700300   -5.33000400   -2.33872200
 O                  4.08616900    0.31289900    5.62226500
 C                 -5.38668300    4.66683700   -4.18157500
 H                 -4.48412600    5.22751100   -4.43950800
 H                 -6.10580100    4.74491500   -4.99370400
 H                 -5.82506500    5.07516800   -3.26690600
 C                  5.44775200    3.78691800   -4.44770600
 H                  6.14004000    4.58432200   -4.70858100
 H                  5.75271600    2.86296700   -4.94709800
 H                  4.43926600    4.06177000   -4.76930400
 C                  5.04415000   -0.52919500    6.26488600
 H                  5.15305100   -0.13491500    7.27255100
 H                  4.69267800   -1.56345300    6.31448800
 H                  6.00985700   -0.49295400    5.75329200
 C                  2.52838500    6.89437600    0.90698400
 H                  3.23460400    7.63471600    0.53880200
 H                  1.57520500    7.38015600    1.13204900
 H                  2.92766300    6.42765400    1.81132800
 C                  6.51330700   -5.37282900   -2.51583800
 H                  6.72692300   -6.35110700   -2.94032600
 H                  6.85049000   -4.59513800   -3.20660300
 H                  7.03602100   -5.26860600   -1.56102800
 C                 -4.19348600    1.56647200    6.37639600
 H                 -5.04820500    1.63003700    7.04549400
 H                 -3.63756400    0.64775900    6.58113900
 H                 -3.54503700    2.43309700    6.52980100
 C                 -2.94375500   -2.49595800   -0.12421900
 O                 -0.63239300   -4.28176700   -1.16149200
 N                 -2.22550600   -1.50759600   -0.58740500
 C                 -2.63046600   -3.68022300    0.62933200
 C                 -1.74321100   -4.71458100   -1.09568400
 O                 -2.57955400   -5.46209300   -1.49748900
 C                 -0.38638300   -2.81330300    1.77581600
 C                 -0.65537200   -1.46044800    1.91543000
 H                 -1.68662300   -1.17362900    2.06948800
 H                  0.08669600   -0.85553000    2.42312500
 C                 -3.75488800   -4.62467100    1.01723800
 H                 -3.34408200   -5.58300200    1.34927700
 H                 -4.42204500   -4.82872300    0.18225900
 H                 -4.36307600   -4.23124400    1.84124100
 C                 -4.36565700   -2.40083100   -0.66651000
 C                 -4.64746300   -2.66051300   -2.01167000
 C                 -5.40566200   -1.97908200    0.16941000
 C                 -5.94252400   -2.51522600   -2.50761600
 H                 -3.84886300   -2.98094000   -2.67173400
 C                 -6.69978400   -1.82331000   -0.32689300
 H                 -5.20164200   -1.76568000    1.21401900
 C                 -6.97374300   -2.09443800   -1.66715000
 H                 -6.14576400   -2.72861000   -3.55249500
 H                 -7.49351300   -1.48957300    0.33437200
 H                 -7.98091500   -1.97712900   -2.05396300
 C                  0.96560600   -3.38933100    2.05911500
 H                  1.33166900   -3.98990900    1.22370200
 H                  0.87260300   -4.07778300    2.90875200
 H                  1.70377300   -2.63427100    2.31443900
 C                 -1.45947700   -3.82301000    1.58342400
 H                 -1.91780900   -3.85686600    2.58848400
 H                 -1.01180800   -4.81421400    1.46918900
 
126
TS4-Rh   SCF Done:  E(RM06) =  -4077.12450156
 Rh                 0.10644500   -0.78378800   -1.44337600
 Cl                 0.98459300    0.73684100   -3.16384300
 P                 -1.35657100    1.28035200   -0.25637200
 C                 -0.64200100    2.98330900   -0.01700200
 C                 -0.74580500    4.00952200   -0.95799100
 C                  0.05993400    3.26054300    1.17059300
 C                 -0.18545200    5.27011800   -0.73601300
 H                 -1.28505900    3.85474100   -1.88346500
 C                  0.61218100    4.50726000    1.40855600
 H                  0.16673200    2.49470000    1.92992200
 C                  0.49721400    5.52808300    0.45457700
 H                 -0.30055700    6.03426600   -1.49406500
 H                  1.14415500    4.71323900    2.33108800
 C                 -2.07936400    1.03695100    1.42144500
 C                 -2.81775300    2.04898100    2.06762300
 C                 -1.82901900   -0.14022200    2.12419300
 C                 -3.28476900    1.87922400    3.35844700
 H                 -3.01766100    2.98586600    1.55999000
 C                 -2.28653600   -0.32152500    3.43147300
 H                 -1.25975300   -0.93233800    1.65668100
 C                 -3.01548100    0.69027000    4.05738500
 H                 -3.85046200    2.65978600    3.85572900
 H                 -2.06481200   -1.25061700    3.93858400
 C                 -2.81236600    1.60162800   -1.34776100
 C                 -2.59473900    1.91131600   -2.70303800
 C                 -4.13358700    1.52116200   -0.90355800
 C                 -3.65219300    2.18391400   -3.55446100
 H                 -1.58757900    1.90917800   -3.10215700
 C                 -5.21083600    1.77373300   -1.75720900
 H                 -4.35020100    1.25502900    0.12345300
 C                 -4.97368900    2.12129000   -3.08884100
 H                 -3.47880600    2.42704900   -4.59727400
 H                 -6.21776300    1.69800500   -1.36717000
 P                  2.11508000   -0.50503900   -0.10075500
 C                  3.44762900   -1.73454100   -0.47669400
 C                  4.06784000   -1.66524600   -1.73106200
 C                  3.92218200   -2.68534200    0.43770400
 C                  5.11029100   -2.51856200   -2.07979800
 H                  3.74675300   -0.92262900   -2.45443500
 C                  4.96101900   -3.54351600    0.10284300
 H                  3.49224200   -2.75790700    1.42861300
 C                  5.56284600   -3.47348400   -1.15966200
 H                  5.55982500   -2.42623400   -3.05987200
 H                  5.32637900   -4.27537500    0.81471300
 C                  1.81772000   -0.69582800    1.70687100
 C                  2.15985100    0.30580800    2.62000200
 C                  1.24091100   -1.87594500    2.21090200
 C                  1.94721700    0.14930800    3.99007400
 H                  2.60230700    1.23110500    2.27427300
 C                  1.04113000   -2.04956500    3.56962200
 H                  0.91594500   -2.65289500    1.53272500
 C                  1.38812400   -1.03596300    4.47483100
 H                  2.22207600    0.95512800    4.65815500
 H                  0.59960000   -2.96258500    3.95356500
 C                  3.12237600    1.04202700   -0.21941000
 C                  2.64028200    2.24239100   -0.75480300
 C                  4.43948100    1.02444400    0.26409800
 C                  3.44314300    3.37245800   -0.81517400
 H                  1.63799400    2.29646100   -1.14606900
 C                  5.25210400    2.15295100    0.21878700
 H                  4.85524900    0.11688100    0.68500700
 C                  4.75539900    3.34167900   -0.33039600
 H                  3.06402600    4.29651000   -1.23615000
 H                  6.26162300    2.08918200    0.60355700
 O                  6.56761300   -4.35394200   -1.39176100
 O                  5.46040000    4.49656500   -0.43649600
 O                  1.13218500   -1.29361500    5.78297400
 O                 -3.49623400    0.62757100    5.32668500
 O                 -5.94152600    2.40097000   -4.00302100
 O                  1.07550200    6.71562100    0.77848600
 C                  1.49351000   -0.31267100    6.75737400
 H                  0.94816900    0.62149900    6.60009700
 H                  1.21530200   -0.73734300    7.71902400
 H                  2.56936300   -0.11933500    6.74152400
 C                 -3.22524600   -0.54152500    6.10084300
 H                 -3.67613100   -0.36140400    7.07411200
 H                 -3.67649200   -1.42890400    5.64873500
 H                 -2.14933000   -0.69752900    6.21973800
 C                  0.98360600    7.79498700   -0.15076100
 H                  1.50623800    8.62864900    0.31289400
 H                  1.46730200    7.54503700   -1.09923600
 H                 -0.05795300    8.07461400   -0.33277700
 C                  6.80674000    4.52584800    0.03917600
 H                  7.16224200    5.53663900   -0.14715100
 H                  6.85349000    4.31574800    1.11123300
 H                  7.43452500    3.81373100   -0.50333300
 C                 -7.30644200    2.33497400   -3.59290200
 H                 -7.89190400    2.59208900   -4.47287100
 H                 -7.57317500    1.32769600   -3.26053600
 H                 -7.51674400    3.05204300   -2.79417400
 C                  7.22346100   -4.33050100   -2.66105400
 H                  7.97638700   -5.11384700   -2.61650800
 H                  6.52276700   -4.54430400   -3.47255100
 H                  7.70989800   -3.36747500   -2.83770000
 C                 -1.96299200   -2.80426200   -0.51415700
 O                 -1.59227700   -0.97238600   -2.68776800
 N                 -0.79269400   -2.35540500   -0.27173300
 C                 -2.37194900   -3.17570000   -1.95247100
 C                 -2.49466300   -1.88024000   -2.81797400
 O                 -3.41941900   -1.80101800   -3.62565800
 C                  0.15473700   -3.41381500   -1.86253400
 C                  0.85083900   -2.38753100   -2.58483300
 H                  0.48025900   -2.15759800   -3.57725500
 H                  1.93008200   -2.40486500   -2.51624900
 C                 -3.61889500   -4.05031200   -2.10304700
 H                 -3.68207500   -4.41968100   -3.12753500
 H                 -4.53810000   -3.50354500   -1.90294100
 H                 -3.57282500   -4.91144800   -1.43190100
 C                 -2.89820800   -3.06152200    0.62380900
 C                 -4.21008800   -2.56693000    0.61883700
 C                 -2.45808200   -3.80841000    1.72410500
 C                 -5.06115800   -2.81873600    1.69145800
 H                 -4.56095100   -1.96224100   -0.20956100
 C                 -3.31928800   -4.07967700    2.78439600
 H                 -1.44333000   -4.18917600    1.73623100
 C                 -4.62308600   -3.58518300    2.77160500
 H                 -6.06933300   -2.41807300    1.68142500
 H                 -2.97105500   -4.67643800    3.62102300
 H                 -5.29350100   -3.79382400    3.59865300
 C                  0.93766900   -4.35970000   -1.00193300
 H                  1.32128900   -5.15367800   -1.65696200
 H                  0.31544400   -4.83780500   -0.24439300
 H                  1.79597000   -3.88789100   -0.52952400
 C                 -1.13126500   -3.96974000   -2.43498000
 H                 -1.24549000   -5.00873800   -2.11379000
 H                 -1.08634500   -3.97286700   -3.52707300
 
126
TS4-Rh-1   SCF Done:  E(RM06) =  -4077.12538608
 Rh                 0.00478300   -0.68365300   -1.16653200
 Cl                -0.03987100    0.88619300   -3.04358200
 P                  1.26290200    1.18906400    0.20861000
 C                  0.64173100    2.92779500    0.10531700
 C                  1.39129200    3.99757200    0.63161000
 C                 -0.54893500    3.23355000   -0.55326900
 C                  0.94710400    5.30447700    0.52931300
 H                  2.33927500    3.80901700    1.12291800
 C                 -1.00873700    4.54713100   -0.67078300
 H                 -1.12455200    2.44512100   -1.01796500
 C                 -0.26303500    5.59291700   -0.12164400
 H                  1.52619300    6.12448400    0.93989400
 H                 -1.93592700    4.73394800   -1.19691900
 C                  3.00767000    1.46781500   -0.34405600
 C                  4.11163600    1.45008100    0.52005300
 C                  3.22747700    1.81041700   -1.68318300
 C                  5.38369600    1.76795100    0.06269600
 H                  3.98517600    1.19461100    1.56499500
 C                  4.49726100    2.13786400   -2.15301900
 H                  2.39557200    1.82184400   -2.37738800
 C                  5.58879700    2.11793300   -1.27710500
 H                  6.23500100    1.75615000    0.73472400
 H                  4.62107900    2.39942600   -3.19622100
 C                  1.44251500    0.85576500    2.01396800
 C                  1.06489200    1.75571700    3.02191900
 C                  1.96963800   -0.37822600    2.41164300
 C                  1.21768400    1.43647700    4.36327700
 H                  0.63650700    2.71553300    2.76557100
 C                  2.13354800   -0.71239600    3.75408700
 H                  2.26044300   -1.10412400    1.66464100
 C                  1.75138300    0.19959500    4.74374700
 H                  0.91529800    2.13413500    5.13646700
 H                  2.54402600   -1.68081000    4.00911000
 O                 -0.61019600    6.90438800   -0.17318300
 O                  6.86907100    2.41757200   -1.62721600
 O                  1.84471500   -0.02495800    6.08238300
 C                 -1.82687300    7.26497400   -0.82806100
 C                  7.13939600    2.78556900   -2.97916900
 C                  2.39461600   -1.26397400    6.53056200
 H                  2.38026100   -1.21682600    7.61709200
 H                  1.79036100   -2.11142800    6.19537100
 H                  3.42481800   -1.38803200    6.18545800
 H                  6.59301600    3.68974300   -3.26218000
 H                  8.20860000    2.98082500   -3.02343800
 H                  6.88924700    1.97509700   -3.66950000
 H                 -1.89703900    8.34698800   -0.74355900
 H                 -1.80727100    6.98264600   -1.88421700
 H                 -2.69066600    6.80465500   -0.34045800
 P                 -2.27361400   -0.38904600   -0.27466200
 C                 -3.21470200   -1.99264700   -0.30640600
 C                 -2.71863600   -3.15547500    0.30091800
 C                 -4.44628300   -2.08987700   -0.97776400
 C                 -3.42431600   -4.35677900    0.26994100
 H                 -1.75804400   -3.14566100    0.79584100
 C                 -5.15278500   -3.28278200   -1.02174300
 H                 -4.86971200   -1.22901500   -1.47700000
 C                 -4.65343600   -4.43004600   -0.39385600
 H                 -2.99831100   -5.22278200    0.75998500
 H                 -6.10214200   -3.34337900   -1.54253700
 C                 -3.45913100    0.75153900   -1.10471300
 C                 -3.36718200    0.98693400   -2.48590600
 C                 -4.56260400    1.28314900   -0.42349100
 C                 -4.32197200    1.74207300   -3.14941400
 H                 -2.53255000    0.59140000   -3.04690000
 C                 -5.52590000    2.04712900   -1.07722500
 H                 -4.69263700    1.09901400    0.63546800
 C                 -5.40943000    2.28526200   -2.45215800
 H                 -4.24174700    1.92585200   -4.21516200
 H                 -6.35800700    2.44063600   -0.50811200
 C                 -2.33573600    0.14024300    1.49575100
 C                 -2.33511400   -0.77514500    2.55260300
 C                 -2.37388300    1.50782800    1.82286800
 C                 -2.37302700   -0.35994300    3.88316900
 H                 -2.31528400   -1.83828900    2.36207700
 C                 -2.42691400    1.93293300    3.13880700
 H                 -2.37761600    2.25890000    1.04500000
 C                 -2.41765600    1.00306100    4.18639000
 H                 -2.36795500   -1.10909900    4.66418900
 H                 -2.46297200    2.98998200    3.37806300
 O                 -2.44913800    1.51864900    5.44152800
 O                 -6.28537700    3.01354100   -3.18624200
 O                 -5.41918600   -5.54619300   -0.48790900
 C                 -7.41917600    3.58892300   -2.53384000
 H                 -7.11266500    4.29457200   -1.75712800
 H                 -7.96615400    4.11899700   -3.30992800
 H                 -8.05966800    2.81681100   -2.09930900
 C                 -2.39512300    0.62148500    6.55203100
 H                 -1.46624400    0.04500600    6.54675700
 H                 -2.42693500    1.24996900    7.43907100
 H                 -3.25254400   -0.05694200    6.55664600
 C                 -4.95570600   -6.74910900    0.12750300
 H                 -4.84662100   -6.62459500    1.20824700
 H                 -5.71936700   -7.49623300   -0.07580500
 H                 -4.00475200   -7.07360200   -0.30361000
 C                  2.57311100   -2.34701000   -1.19310000
 O                  0.15810300   -2.06584400    0.35665300
 N                  1.98797800   -1.42026600   -1.84133900
 C                  1.77060600   -3.58937800   -0.74138800
 C                  0.78542000   -3.20173200    0.40369300
 O                  0.61189800   -3.98452500    1.33500000
 C                  0.54791600   -2.67190100   -2.77945200
 C                 -0.75474400   -2.15475800   -2.48134300
 H                 -1.40040700   -2.80648500   -1.90618200
 H                 -1.26163800   -1.62660500   -3.28285300
 C                  2.58601400   -4.82152400   -0.33493200
 H                  1.92593600   -5.68713900   -0.26092400
 H                  3.06999000   -4.70485200    0.63246600
 H                  3.35218300   -5.03934800   -1.08244700
 C                  4.05426800   -2.27868000   -0.98213500
 C                  4.63739800   -2.50567500    0.27268400
 C                  4.88850100   -1.97124900   -2.06580600
 C                  6.01767900   -2.42197100    0.43830400
 H                  4.01817800   -2.73205900    1.13260100
 C                  6.27029100   -1.91307700   -1.90425100
 H                  4.44621900   -1.78938400   -3.03833600
 C                  6.83983400   -2.13552700   -0.65078500
 H                  6.45039800   -2.58602000    1.41962800
 H                  6.90214700   -1.69049100   -2.75779400
 H                  7.91600300   -2.08474000   -0.52318800
 C                  1.10897100   -2.44747800   -4.15345200
 H                  0.59997500   -3.13796500   -4.83935200
 H                  2.17829000   -2.65416600   -4.20519600
 H                  0.91687600   -1.43079700   -4.49592000
 C                  0.98543200   -3.92094900   -2.04088000
 H                  1.64660200   -4.50646700   -2.68584200
 H                  0.12161200   -4.54948800   -1.81121400
 
126
TS4-Rh-2   SCF Done:  E(RM06) =  -4077.08255107
 Rh                 0.00290900   -0.95436400   -1.35233400
 Cl                 0.88086800    0.42359200   -3.23225500
 P                 -1.31444000    1.34049900   -0.15735000
 C                 -0.45301600    2.92688600    0.28076600
 C                 -0.51973400    4.08833800   -0.49104100
 C                  0.31077100    2.97089900    1.46136500
 C                  0.14299900    5.25892100   -0.11315900
 H                 -1.10504900    4.10749500   -1.40184700
 C                  0.96409100    4.12626400    1.85339400
 H                  0.38810700    2.09333200    2.09255100
 C                  0.88953600    5.28526400    1.06680400
 H                  0.05679600    6.13551200   -0.74236700
 H                  1.54376700    4.15435200    2.76973100
 C                 -2.26655500    1.07714000    1.40346800
 C                 -2.83527800    2.15548100    2.11002700
 C                 -2.45413600   -0.20733300    1.91250400
 C                 -3.56433300    1.94717500    3.26739500
 H                 -2.70444000    3.17015200    1.75219300
 C                 -3.18862400   -0.43298100    3.07936400
 H                 -2.01078300   -1.05419800    1.40684300
 C                 -3.74988200    0.64658000    3.76407000
 H                 -4.00147100    2.77896900    3.80925400
 H                 -3.30788600   -1.44822500    3.43472900
 C                 -2.60204000    1.89868600   -1.35788400
 C                 -2.21988800    2.21460700   -2.67356500
 C                 -3.95515200    1.99939800   -1.03066800
 C                 -3.14782100    2.65337200   -3.60290200
 H                 -1.18852100    2.08999300   -2.98079500
 C                 -4.90501200    2.42279200   -1.96390800
 H                 -4.29843600    1.74218200   -0.03644600
 C                 -4.50288900    2.76314100   -3.25715500
 H                 -2.84756800    2.89997600   -4.61581600
 H                 -5.94369700    2.48192800   -1.66472900
 P                  2.14000800   -0.56448400   -0.07905000
 C                  3.43128500   -1.88964600   -0.19008100
 C                  4.23218300   -1.98993200   -1.33467000
 C                  3.64306900   -2.82071100    0.84015200
 C                  5.20784900   -2.97485800   -1.46186200
 H                  4.12305400   -1.27244000   -2.14002500
 C                  4.60805500   -3.81001100    0.72466600
 H                  3.05578100   -2.77328000    1.74921400
 C                  5.39999500   -3.89979500   -0.42801700
 H                  5.80871900   -3.00570200   -2.36131000
 H                  4.77013500   -4.52303900    1.52532900
 C                  1.86187400   -0.44045600    1.74159900
 C                  2.63931500    0.39079900    2.55586100
 C                  0.89948800   -1.25764600    2.35801900
 C                  2.47832600    0.41136000    3.93993800
 H                  3.38163800    1.04686200    2.11987200
 C                  0.73930600   -1.25260000    3.73519500
 H                  0.25976900   -1.89001400    1.75377000
 C                  1.52666600   -0.41987700    4.54175700
 H                  3.09726600    1.07485400    4.52993400
 H                 -0.00566700   -1.88216300    4.20906000
 C                  3.15442400    0.92713100   -0.48212600
 C                  2.58404500    2.08941800   -1.02082900
 C                  4.52420400    0.95556300   -0.18205500
 C                  3.34802800    3.22003300   -1.26091900
 H                  1.53701300    2.11054800   -1.27247400
 C                  5.30390900    2.08631500   -0.41592500
 H                  5.01034800    0.08695500    0.24325600
 C                  4.71655900    3.23192200   -0.96356800
 H                  2.89679100    4.11134200   -1.68154700
 H                  6.35720400    2.05658400   -0.16904200
 O                  6.31722100   -4.89700100   -0.44430800
 O                  5.37803200    4.38413400   -1.23863000
 O                  1.29065900   -0.48539800    5.87587400
 O                 -4.47874400    0.54848500    4.90611100
 O                 -5.33603400    3.19537800   -4.24203400
 O                  1.56639300    6.36743700    1.53522600
 C                  2.05392300    0.34697400    6.75082100
 H                  1.89247000    1.40568100    6.53081400
 H                  1.69471500    0.12641700    7.75329900
 H                  3.12061800    0.11576500    6.68709800
 C                 -4.69646400   -0.74530700    5.46915200
 H                 -5.29609200   -0.58093400    6.36157100
 H                 -5.24258000   -1.39217700    4.77719000
 H                 -3.75165000   -1.22033200    5.74758600
 C                  1.52780300    7.57687100    0.77838100
 H                  2.13002500    8.29198200    1.33428900
 H                  1.95751500    7.43594400   -0.21734400
 H                  0.50591600    7.95572700    0.68691100
 C                  6.77604000    4.45765800   -0.95527200
 H                  7.08439800    5.45669300   -1.25459100
 H                  6.97185300    4.32066900    0.11169500
 H                  7.33644300    3.71591700   -1.53074500
 C                 -6.72897400    3.30978200   -3.95558600
 H                 -7.19134200    3.66324800   -4.87458000
 H                 -7.15903200    2.34236100   -3.68110300
 H                 -6.91235400    4.03246800   -3.15529400
 C                  7.15614500   -5.04258600   -1.59224400
 H                  7.79543800   -5.89653100   -1.38140800
 H                  6.56577600   -5.24193000   -2.49045100
 H                  7.77409500   -4.15396100   -1.74590000
 C                 -1.94485600   -2.99172300   -0.55326600
 O                 -1.81839500   -0.84488100   -2.38377800
 N                 -0.90081700   -2.41373700   -0.05869100
 C                 -2.22833100   -3.17235100   -2.05574100
 C                 -2.70437600   -1.76678000   -2.51139800
 O                 -3.82647100   -1.59415700   -2.98167300
 C                  0.35892700   -2.90051800   -2.36868400
 C                  0.60661000   -3.39104700   -1.05849800
 H                  0.14478600   -4.30181800   -0.70515300
 H                  1.54809600   -3.18757800   -0.57537000
 C                 -3.24758500   -4.26704100   -2.39288700
 H                 -3.29558300   -4.39168200   -3.47704200
 H                 -4.25172600   -4.03450300   -2.05137100
 H                 -2.94651000   -5.22391800   -1.95823600
 C                 -2.96025100   -3.44963300    0.44624000
 C                 -4.31831500   -3.11495700    0.33198200
 C                 -2.53477900   -4.18634900    1.56166100
 C                 -5.22656600   -3.51831500    1.30670500
 H                 -4.66063300   -2.51559700   -0.50347600
 C                 -3.45022300   -4.60918000    2.52184400
 H                 -1.48497900   -4.43541800    1.66473800
 C                 -4.79877700   -4.27513400    2.39791200
 H                 -6.27088600   -3.23984600    1.21331100
 H                 -3.10971700   -5.19632300    3.36830500
 H                 -5.51181700   -4.59919000    3.14859200
 C                  1.47455300   -2.82339100   -3.38911800
 H                  1.20048600   -2.17131100   -4.21675300
 H                  1.65211900   -3.82978800   -3.79019000
 H                  2.40820000   -2.46801100   -2.96440800
 C                 -0.94559200   -3.43611000   -2.91422000
 H                 -0.83234200   -4.52232800   -3.01531400
 H                 -1.12649000   -3.05745400   -3.92288200
 
80
TS4-Rh-3   SCF Done:  E(RM06) =  -2697.67204826
 Rh                -0.46121100    0.22682900   -1.50999200
 Cl                 0.96565900    1.56936400   -2.93713200
 P                  1.21249800    0.13163100    0.13475500
 C                  1.01067700    1.66175300    1.12988000
 C                  1.12682000    1.68053100    2.53067400
 C                  0.76649100    2.87366100    0.47059500
 C                  0.99503700    2.86372500    3.23891900
 H                  1.32540000    0.76697100    3.07695200
 C                  0.63201600    4.06836800    1.17368400
 H                  0.69166600    2.89689600   -0.61036200
 C                  0.74265800    4.06998400    2.56907700
 H                  1.08641000    2.87738200    4.31928600
 H                  0.44304400    4.98172900    0.62485500
 C                  2.96566100    0.13258000   -0.40387600
 C                  3.95754600    0.70537200    0.41085400
 C                  3.36262700   -0.48078500   -1.59424000
 C                  5.29243000    0.65977400    0.04572200
 H                  3.68772400    1.19866900    1.33752400
 C                  4.70333000   -0.53930100   -1.97037500
 H                  2.62466600   -0.90581500   -2.26127600
 C                  5.67997400    0.03368300   -1.14859500
 H                  6.05662300    1.10722800    0.67145300
 H                  4.96695600   -1.02034200   -2.90311500
 C                  1.11399700   -1.24678000    1.33764400
 C                  0.00054400   -1.36970200    2.19036200
 C                  2.11512100   -2.21968400    1.41595200
 C                 -0.09038900   -2.41349700    3.09318700
 H                 -0.80543200   -0.65011300    2.13483000
 C                  2.02672500   -3.28444200    2.31263300
 H                  2.98679900   -2.15907300    0.77585100
 C                  0.92146100   -3.38506900    3.16308000
 H                 -0.94450200   -2.50383300    3.75512300
 H                  2.82477400   -4.01469300    2.34021100
 O                  0.62604900    5.16894200    3.35231000
 O                  7.00831700    0.04169500   -1.41763900
 O                  0.73568900   -4.36769700    4.07678100
 C                  0.36801800    6.43162100    2.73409300
 C                  7.46933700   -0.56739200   -2.62530500
 C                  1.72562500   -5.39161400    4.19701300
 H                  1.36553900   -6.05720600    4.97781600
 H                  1.83255200   -5.94918600    3.26279600
 H                  2.69230900   -4.97401400    4.49066900
 H                  7.04418800   -0.07466300   -3.50371600
 H                  8.54916300   -0.43921600   -2.62461700
 H                  7.22876800   -1.63362200   -2.64749300
 H                  0.31509500    7.15072300    3.54802200
 H                  1.17618400    6.71051500    2.05293400
 H                 -0.58268700    6.42044300    2.19472400
 C                 -3.15703100   -0.58863900   -0.60736100
 O                 -2.00913400    0.65177500   -2.91190000
 N                 -1.92361500   -0.60766200   -0.28623500
 C                 -3.59757700   -0.96660800   -2.02844700
 C                 -3.23128000    0.24808500   -2.95196000
 O                 -4.09417200    0.73407900   -3.67742100
 C                 -1.34646400   -2.16605500   -1.69699400
 C                 -0.18980400   -1.63054200   -2.36974200
 H                 -0.28680500   -1.43468500   -3.43351900
 H                  0.76446000   -2.06618700   -2.09077800
 C                 -5.06566500   -1.36426800   -2.18529800
 H                 -5.23098700   -1.76223500   -3.18829300
 H                 -5.74002700   -0.52060200   -2.05928300
 H                 -5.33630000   -2.13861000   -1.46279700
 C                 -4.13616700   -0.14739000    0.43004400
 C                 -5.07539400    0.85629400    0.15196100
 C                 -4.08020300   -0.69294400    1.71964400
 C                 -5.93776100    1.30455300    1.14926600
 H                 -5.11747400    1.30681000   -0.83327100
 C                 -4.96064400   -0.25820400    2.70662500
 H                 -3.35453600   -1.46741800    1.93852600
 C                 -5.88876600    0.74412800    2.42554400
 H                 -6.65008900    2.09182900    0.92673900
 H                 -4.91842400   -0.69952300    3.69678600
 H                 -6.56957700    1.08797300    3.19694500
 C                 -1.13850400   -3.23192200   -0.66474600
 H                 -1.01596900   -4.18064200   -1.20511900
 H                 -1.99687300   -3.33913200   -0.00221000
 H                 -0.23991000   -3.06839100   -0.07370600
 C                 -2.68695000   -2.17090800   -2.40327000
 H                 -3.21320800   -3.08849800   -2.12892600
 H                 -2.53839800   -2.19735800   -3.48488500
 
126
TS5-Rh   SCF Done:  E(RM06) =  -4077.14083193
 Rh                 0.34078400   -0.87449700   -0.26114000
 Cl                 0.95398000   -1.64851000    2.19928100
 P                  1.37354100    1.19322400    0.11799200
 C                  1.02170300    1.84787500    1.80965200
 C                  2.05285900    2.08711700    2.73337800
 C                 -0.28126500    2.16904600    2.19795500
 C                  1.78470500    2.61772400    3.98535600
 H                  3.07946600    1.85842700    2.48180100
 C                 -0.56556200    2.71221500    3.44864100
 H                 -1.10680300    2.02184000    1.51523900
 C                  0.47265900    2.93820800    4.35797300
 H                  2.58630600    2.79600900    4.69364300
 H                 -1.59196000    2.94877400    3.69618300
 C                  1.00097400    2.63077100   -0.98395300
 C                  0.46702800    3.83533600   -0.49721200
 C                  1.35126700    2.58395900   -2.33919500
 C                  0.26588400    4.92267000   -1.33226700
 H                  0.21027500    3.94059600    0.54743800
 C                  1.15533600    3.66793000   -3.19066400
 H                  1.81875000    1.70207700   -2.75370800
 C                  0.59614200    4.84858700   -2.69025900
 H                 -0.14985600    5.84627400   -0.94522800
 H                  1.44608600    3.57851900   -4.22919800
 C                  3.21243700    1.14195700    0.09118900
 C                  3.88814700    0.07341500    0.70160400
 C                  3.96960300    2.22040600   -0.37827800
 C                  5.26540800    0.09523500    0.84254100
 H                  3.32513200   -0.77193000    1.07395100
 C                  5.35918400    2.24256200   -0.26001700
 H                  3.48687300    3.07147800   -0.84017200
 C                  6.01728100    1.17667300    0.36001700
 H                  5.78715100   -0.72539000    1.32122300
 H                  5.90468200    3.09479700   -0.64394700
 O                  0.31441800    3.45773500    5.60095400
 O                  0.33767700    5.95682900   -3.42986400
 O                  7.35935200    1.09456200    0.54020900
 C                 -1.00061700    3.80630300    6.03653700
 C                  0.69799600    5.95892200   -4.81331700
 C                  8.18099700    2.16743200    0.07750600
 H                  9.20089300    1.88627100    0.32941100
 H                  8.09501000    2.29380100   -1.00514700
 H                  7.92720100    3.10518300    0.57919000
 H                  0.15553300    5.18688700   -5.36498200
 H                  0.41546500    6.93948400   -5.18875600
 H                  1.77431400    5.81628400   -4.93956800
 H                 -0.88261400    4.19413200    7.04564700
 H                 -1.43727000    4.57918800    5.39814600
 H                 -1.65594300    2.93135300    6.05676700
 P                 -2.09041200   -0.23695900   -0.00394100
 C                 -3.09200000   -1.38955900   -1.06689500
 C                 -3.41284100   -2.65964600   -0.57267100
 C                 -3.53564700   -1.06491200   -2.35708000
 C                 -4.14420100   -3.57707700   -1.32183300
 H                 -3.09859900   -2.95041900    0.42230200
 C                 -4.26297200   -1.97047600   -3.11807800
 H                 -3.33732200   -0.08948100   -2.78098600
 C                 -4.57316700   -3.23744700   -2.61052600
 H                 -4.37103900   -4.54373700   -0.89112600
 H                 -4.60758700   -1.70716200   -4.11208300
 C                 -2.62265100    1.43361300   -0.59534200
 C                 -3.46641900    2.26992100    0.15583700
 C                 -2.20359100    1.89748500   -1.84844600
 C                 -3.88140700    3.49944700   -0.33338200
 H                 -3.80742700    1.96606800    1.13715500
 C                 -2.63138100    3.11914100   -2.36132800
 H                 -1.52667800    1.30744800   -2.45124200
 C                 -3.47662300    3.93386700   -1.60209700
 H                 -4.52839700    4.13991200    0.25599400
 H                 -2.28177400    3.42848100   -3.33696300
 C                 -2.96571600   -0.43550100    1.60720900
 C                 -2.26369800   -0.53170400    2.80849100
 C                 -4.37364300   -0.49580900    1.65582300
 C                 -2.92608900   -0.67827100    4.02956300
 H                 -1.18203600   -0.52203800    2.80187400
 C                 -5.04092700   -0.63622700    2.85877900
 H                 -4.95499300   -0.43613800    0.74301800
 C                 -4.32137300   -0.72883500    4.06205100
 H                 -2.34069600   -0.75779900    4.93648100
 H                 -6.12388700   -0.68182600    2.89394300
 O                 -5.06731500   -0.86928300    5.18623400
 O                 -3.94118800    5.14666800   -1.99521300
 O                 -5.28979200   -4.05145500   -3.42789800
 C                 -3.56043300    5.64469500   -3.27999100
 H                 -3.90310200    4.98053500   -4.07827700
 H                 -4.05280300    6.60962300   -3.37713800
 H                 -2.47783200    5.77915600   -3.34840900
 C                 -4.39819100   -0.97629200    6.44383200
 H                 -3.80840600   -0.08031900    6.65561900
 H                 -5.18509000   -1.07688400    7.18772500
 H                 -3.75230400   -1.85783600    6.47465800
 C                 -5.63305500   -5.35783500   -2.96434800
 H                 -6.26107500   -5.30948700   -2.07051300
 H                 -6.19226300   -5.81983200   -3.77471200
 H                 -4.73919000   -5.95154600   -2.75422800
 C                  2.25132400   -3.15689200   -1.06685200
 O                 -0.52089400   -2.99252400   -0.51632000
 N                  2.05594200   -1.81203000   -1.22220800
 C                  1.71130600   -3.94434300   -2.07772700
 C                 -0.24543400   -4.12773700   -0.74138300
 O                 -0.43608800   -5.28767800   -0.72670800
 C                  1.47214900   -1.60218900   -2.60108200
 C                  0.24680000   -0.72979700   -2.31934600
 H                 -0.69207900   -1.18292900   -2.63736700
 H                  0.31674100    0.27928300   -2.71413100
 C                  2.07194500   -5.35890000   -2.42020300
 H                  1.18963700   -5.93014700   -2.72463200
 H                  2.53443600   -5.88673700   -1.58558500
 H                  2.77287100   -5.38607700   -3.26521300
 C                  3.10177200   -3.70243800    0.02703100
 C                  2.68896400   -4.74635900    0.86581900
 C                  4.41305500   -3.22652000    0.15824200
 C                  3.55365500   -5.28355600    1.81745100
 H                  1.68402600   -5.14215200    0.78739100
 C                  5.28274500   -3.76951800    1.10171900
 H                  4.75034800   -2.43223100   -0.49575400
 C                  4.85464600   -4.79792700    1.94030200
 H                  3.20777800   -6.08340200    2.46443300
 H                  6.29806300   -3.39300200    1.17750200
 H                  5.52908600   -5.21942200    2.67863400
 C                  2.52908100   -0.93035500   -3.48149700
 H                  2.11658600   -0.68002100   -4.46500400
 H                  3.37968100   -1.60259600   -3.63039400
 H                  2.91317600   -0.01934500   -3.01831000
 C                  1.14114300   -3.02364500   -3.14076300
 H                  1.63512900   -3.20456400   -4.10359600
 H                  0.07175400   -3.17546000   -3.32272800
 
126
TS5-Rh-1   SCF Done:  E(RM06) =  -4077.12849111
 Rh                -0.15810600   -1.12892300   -0.93276500
 Cl                -0.48095000   -0.18267500   -3.10110400
 P                  1.40716800    1.08045000   -0.03315700
 C                  0.69967000    2.78483000    0.23582000
 C                  0.61896500    3.68588600   -0.84114800
 C                  0.19734800    3.20885100    1.46797300
 C                  0.07553100    4.95047100   -0.68578900
 H                  0.99711400    3.40337200   -1.81687100
 C                 -0.36247600    4.47772800    1.63797800
 H                  0.24463000    2.55715900    2.33195000
 C                 -0.42679300    5.35928700    0.55647800
 H                  0.02820400    5.64091300   -1.52101700
 H                 -0.73325400    4.76000300    2.61513600
 C                  2.78957600    1.50988100   -1.17608800
 C                  3.63543300    2.61827200   -0.96907900
 C                  2.94793500    0.78018600   -2.35498800
 C                  4.60380500    2.96356500   -1.89509600
 H                  3.52256600    3.23376500   -0.08387900
 C                  3.91063400    1.12722400   -3.30592500
 H                  2.30745400   -0.07155300   -2.54381700
 C                  4.74741500    2.22091300   -3.07874400
 H                  5.25481100    3.81578900   -1.73236700
 H                  3.99524200    0.53494900   -4.20789100
 C                  2.18249600    0.73938100    1.61401700
 C                  1.36103600    0.22121500    2.63178300
 C                  3.52611200    0.96588300    1.92146900
 C                  1.85633600   -0.03005000    3.90249300
 H                  0.31775500    0.00649000    2.43212800
 C                  4.04080400    0.71198400    3.19348600
 H                  4.20540500    1.33417700    1.16362800
 C                  3.20373800    0.21738600    4.19783500
 H                  1.21413400   -0.42477300    4.68205800
 H                  5.09017300    0.90013200    3.38104900
 O                 -0.95097500    6.61544800    0.60420600
 O                  5.71610400    2.64875100   -3.93048400
 O                  3.59595400   -0.05918400    5.47007200
 C                 -1.46309100    7.09253300    1.84774000
 C                  5.90525400    1.94610900   -5.15862900
 C                  4.95782800    0.16949700    5.83057400
 H                  5.03692000   -0.11334600    6.87786700
 H                  5.63580000   -0.44849100    5.23515300
 H                  5.22696800    1.22341900    5.71733500
 H                  5.00494400    1.98106300   -5.77837500
 H                  6.71679800    2.45923400   -5.66968100
 H                  6.18786900    0.90484000   -4.98066900
 H                 -1.81694300    8.10259900    1.65360800
 H                 -2.29635700    6.47648200    2.19731900
 H                 -0.68235500    7.12159200    2.61312900
 P                 -2.34503700   -0.32936000   -0.13675400
 C                 -3.71350800   -1.45722500   -0.66711300
 C                 -4.54127600   -2.17033600    0.20008900
 C                 -3.97190600   -1.54839600   -2.04779800
 C                 -5.58938500   -2.96275700   -0.27650100
 H                 -4.39808600   -2.11082600    1.27139200
 C                 -5.00954500   -2.32459600   -2.53257400
 H                 -3.35452600   -0.99980200   -2.75108000
 C                 -5.82914000   -3.04555400   -1.64970700
 H                 -6.20751600   -3.49569100    0.43441100
 H                 -5.20712400   -2.38926600   -3.59701600
 C                 -3.08681000    1.28264500   -0.63106300
 C                 -4.41511000    1.57824400   -0.26486800
 C                 -2.39275200    2.21725900   -1.39483700
 C                 -5.00782000    2.77138600   -0.63414700
 H                 -4.99244200    0.86781800    0.31629500
 C                 -2.98190800    3.42325300   -1.78102300
 H                 -1.38203400    2.00606800   -1.71083100
 C                 -4.29232500    3.71068000   -1.39548600
 H                 -6.02783200    3.00134900   -0.34617500
 H                 -2.40441900    4.12277800   -2.37002500
 C                 -2.42673300   -0.30640700    1.70549800
 C                 -2.25511200   -1.48563800    2.44206300
 C                 -2.58094100    0.89234100    2.42142400
 C                 -2.25579600   -1.48735000    3.83494500
 H                 -2.11249000   -2.43154500    1.93498200
 C                 -2.57478800    0.90625700    3.80832500
 H                 -2.70458400    1.82992700    1.89472300
 C                 -2.41541300   -0.28316400    4.53089200
 H                 -2.12615100   -2.42557500    4.35849200
 H                 -2.69409400    1.83575300    4.35401800
 O                 -2.42567100   -0.16685100    5.88263600
 O                 -4.95862900    4.85285100   -1.70287000
 O                 -6.81846500   -3.77870800   -2.22277100
 C                 -4.26820400    5.87350000   -2.42527600
 H                 -3.96321700    5.52277600   -3.41492400
 H                 -4.97935500    6.68915300   -2.53406500
 H                 -3.39261600    6.22349700   -1.87167700
 C                 -2.27613900   -1.34645500    6.67463200
 H                 -1.31345900   -1.82973200    6.48764200
 H                 -2.31904600   -1.01300200    7.70883100
 H                 -3.08726100   -2.05503000    6.48636100
 C                 -7.69073300   -4.52903300   -1.37751800
 H                 -8.24115500   -3.87503000   -0.69550300
 H                 -8.39028300   -5.02753000   -2.04457000
 H                 -7.13868700   -5.27809200   -0.80303300
 C                  2.31474100   -3.04682600   -0.87222000
 O                  0.25450200   -2.23934000    0.93300000
 N                  1.38406400   -2.49699200   -1.71494000
 C                  1.97513500   -4.28515900   -0.34722300
 C                  0.96628600   -3.01138800    1.49308900
 O                  1.41799200   -3.56679400    2.42006800
 C                  0.34404400   -3.56834100   -1.97177500
 C                 -0.96869700   -2.87228200   -1.64124900
 H                 -1.55172300   -3.34400700   -0.85020200
 H                 -1.59665100   -2.66418500   -2.50312700
 C                  2.87067100   -5.28426600    0.31923900
 H                  2.38218000   -5.73559700    1.18901100
 H                  3.81046500   -4.84842100    0.65866700
 H                  3.10963000   -6.10735700   -0.36746000
 C                  3.66307400   -2.43798300   -0.70412600
 C                  4.26731900   -2.24598600    0.54501200
 C                  4.41760000   -2.16892500   -1.85567300
 C                  5.58670300   -1.80554700    0.63975700
 H                  3.70846600   -2.43642300    1.45344500
 C                  5.73878900   -1.74177700   -1.76236500
 H                  3.96198200   -2.31605600   -2.82798700
 C                  6.33026700   -1.55843300   -0.51252000
 H                  6.03136000   -1.65526600    1.61792600
 H                  6.30715300   -1.55109000   -2.66698700
 H                  7.35996500   -1.22377400   -0.43791300
 C                  0.42891900   -4.00112200   -3.43711400
 H                 -0.32482800   -4.76552900   -3.65753600
 H                  1.41521800   -4.42209300   -3.65722700
 H                  0.26318800   -3.14787300   -4.09837300
 C                  0.69362800   -4.74088900   -1.01105000
 H                  0.87352100   -5.66907100   -1.56948500
 H                 -0.11155300   -4.97338500   -0.30461300
 
126
TS5-Rh-2   SCF Done:  E(RM06) =  -4077.10412899
 Rh                -2.87840300    0.70118900   -1.22153300
 Cl                -2.68887400   -0.63261300   -3.28224100
 P                 -3.19729800   -1.15181200    0.09086200
 C                 -2.90562400   -1.02857900    1.90121800
 C                 -3.06773500    0.16723400    2.61709900
 C                 -2.55407800   -2.18500200    2.61211300
 C                 -2.89217500    0.19909200    3.99215000
 H                 -3.30306900    1.07688600    2.07890100
 C                 -2.37964600   -2.16354500    3.99281800
 H                 -2.40871400   -3.12505500    2.09278900
 C                 -2.55161100   -0.96416300    4.69559500
 H                 -3.00825700    1.12509400    4.54476100
 H                 -2.10796300   -3.07908500    4.50188000
 C                 -1.94753100   -2.39287400   -0.41989500
 C                 -2.26949400   -3.69126900   -0.83615700
 C                 -0.59913800   -2.02122700   -0.37604800
 C                 -1.27267800   -4.58572200   -1.19757100
 H                 -3.30295100   -4.01331200   -0.87782800
 C                  0.41038200   -2.90888500   -0.73648000
 H                 -0.31747700   -1.02385700   -0.05230300
 C                  0.07505500   -4.20386900   -1.15405900
 H                 -1.51841900   -5.59220700   -1.51769900
 H                  1.44155400   -2.58210200   -0.68643500
 C                 -4.84091300   -1.94151200   -0.08793100
 C                 -5.64522900   -2.23863100    1.02421900
 C                 -5.33649400   -2.23820600   -1.36425600
 C                 -6.89224200   -2.82240300    0.86292000
 H                 -5.30002900   -2.01422300    2.02573800
 C                 -6.58328700   -2.83237400   -1.53580600
 H                 -4.74656200   -1.99851900   -2.24164000
 C                 -7.37287800   -3.12980500   -0.41738200
 H                 -7.51363300   -3.05101300    1.72155600
 H                 -6.92734300   -3.05052100   -2.53833900
 O                 -2.40424000   -0.82869400    6.03601800
 O                  0.97236700   -5.14971400   -1.52775800
 O                 -8.59969500   -3.70215700   -0.47008300
 C                 -2.05209900   -1.97698000    6.81029700
 C                  2.36268600   -4.82095500   -1.51559900
 C                 -9.14851500   -4.04019800   -1.74591000
 H                -10.12054400   -4.48140300   -1.53882400
 H                 -9.27696600   -3.15139100   -2.36923200
 H                 -8.52077100   -4.76863600   -2.26587900
 H                  2.69991500   -4.56246600   -0.50832900
 H                  2.87893300   -5.71690400   -1.85238100
 H                  2.58041000   -3.99590600   -2.19887500
 H                 -1.99561600   -1.63048600    7.83948600
 H                 -2.81365100   -2.75721300    6.72978300
 H                 -1.08076900   -2.37618800    6.50647300
 P                  4.42759000   -0.81110100   -0.12582700
 C                  4.15926700    0.82552700   -0.94303100
 C                  3.21646000    0.89067000   -1.97504100
 C                  4.81905400    2.01347900   -0.58534100
 C                  2.94076800    2.08195900   -2.64734700
 H                  2.67579900   -0.00492500   -2.26708900
 C                  4.55135700    3.20737100   -1.23833300
 H                  5.54720500    2.00780300    0.21842500
 C                  3.61063800    3.25316000   -2.27796900
 H                  2.20203600    2.08407300   -3.43850400
 H                  5.05939800    4.12376900   -0.95741600
 C                  5.93676100   -1.46913500   -0.96880700
 C                  6.25464000   -2.82443500   -0.76340700
 C                  6.76020800   -0.73222500   -1.82333200
 C                  7.35841700   -3.40606600   -1.36600300
 H                  5.62750400   -3.43472500   -0.11968500
 C                  7.86917400   -1.30702000   -2.44894500
 H                  6.54337200    0.31220200   -2.01750800
 C                  8.17800600   -2.65044500   -2.21782400
 H                  7.60111600   -4.45033200   -1.20105900
 H                  8.47683400   -0.69802400   -3.10612400
 C                  5.06892400   -0.33182000    1.54280300
 C                  6.42134200   -0.21976700    1.87518800
 C                  4.12448800   -0.09315500    2.55772700
 C                  6.83320900    0.12565400    3.16447300
 H                  7.18037700   -0.40686100    1.12361600
 C                  4.51632000    0.26260900    3.83853100
 H                  3.06417100   -0.18866100    2.34212700
 C                  5.87848400    0.37395600    4.15497500
 H                  7.89228700    0.19692700    3.37736600
 H                  3.78394700    0.44761100    4.61697800
 O                  6.16379100    0.71717000    5.44006000
 O                  9.23159600   -3.31124300   -2.76901400
 O                  3.41930600    4.46962500   -2.85248500
 C                 10.10206300   -2.59758600   -3.64611600
 H                 10.58402900   -1.76042600   -3.13317800
 H                 10.85853600   -3.31417600   -3.95817400
 H                  9.56586200   -2.22909400   -4.52523300
 C                  7.53187500    0.83601800    5.82793700
 H                  8.04169600    1.61521200    5.25423500
 H                  7.51716400    1.11290300    6.87972700
 H                  8.06227400   -0.11310700    5.70936500
 C                  2.45559300    4.58994700   -3.89968200
 H                  1.45100200    4.34313000   -3.54527100
 H                  2.48419300    5.63328300   -4.20598700
 H                  2.71361500    3.95481400   -4.75167400
 C                 -2.58249800    3.32401000    0.15044600
 O                 -2.39518500    2.55709400   -2.57506100
 N                 -3.29823200    2.16871200    0.20660200
 C                 -3.21873600    4.35867700   -0.53243000
 C                 -2.02207300    3.67564700   -2.33540300
 O                 -1.37255900    4.61670000   -2.63046100
 C                 -4.68866300    2.44109500   -0.32892600
 C                 -4.81836700    1.31400100   -1.35154800
 H                 -4.94043000    1.62355900   -2.38940200
 H                 -5.52622300    0.53180100   -1.08824500
 C                 -2.89943600    5.82195400   -0.45407600
 H                 -3.15150100    6.32752900   -1.38988600
 H                 -1.84317200    6.00208500   -0.25236300
 H                 -3.48222800    6.30568800    0.33965500
 C                 -1.25278400    3.41984100    0.82045900
 C                 -0.12457600    2.71841400    0.37719900
 C                 -1.13435100    4.23285900    1.95629100
 C                  1.09049300    2.82925800    1.05169500
 H                 -0.17600300    2.09333200   -0.50766600
 C                  0.07749200    4.33538700    2.63677500
 H                 -2.00003800    4.77947700    2.31509100
 C                  1.19435400    3.63452700    2.18507700
 H                  1.95708300    2.29017100    0.68413000
 H                  0.14738100    4.96494700    3.51777900
 H                  2.14031900    3.71671100    2.70997000
 C                 -5.71345200    2.33456200    0.80124700
 H                 -6.72083800    2.52140800    0.41536600
 H                 -5.50503100    3.07319600    1.58084700
 H                 -5.70334400    1.34241000    1.25799400
 C                 -4.61973200    3.88693200   -0.89971200
 H                 -5.37033100    4.52921800   -0.42477400
 H                 -4.81580100    3.93302300   -1.97470200
 
80
TS5-Rh-3   SCF Done:  E(RM06) =  -2697.69110699
 Rh                -0.65204800   -0.28067800   -1.33409700
 Cl                 0.45730400    0.69842400   -3.30956200
 P                  1.10514400    0.18450300    0.04332900
 C                  0.94872000    1.94111900    0.56542300
 C                  1.22944700    2.36836600    1.87530100
 C                  0.58255900    2.91018800   -0.37868700
 C                  1.13422400    3.70583200    2.22438800
 H                  1.53097700    1.65576500    2.63238200
 C                  0.48342100    4.25645000   -0.03739200
 H                  0.38148500    2.62357500   -1.40450000
 C                  0.75571700    4.66451700    1.27353100
 H                  1.35240700    4.03225700    3.23511100
 H                  0.19650300    4.96998300   -0.79868500
 C                  2.76872200    0.05344800   -0.71889700
 C                  3.82062000    0.86349300   -0.25789800
 C                  3.04629800   -0.88965500   -1.71090800
 C                  5.09992600    0.72771300   -0.77032500
 H                  3.64214400    1.61311200    0.50431900
 C                  4.33083100   -1.04096100   -2.22974400
 H                  2.25346700   -1.50861900   -2.10894200
 C                  5.36956200   -0.22987400   -1.75953900
 H                  5.91016000    1.35686400   -0.41899900
 H                  4.50228600   -1.78116500   -3.00021700
 C                  1.25481600   -0.77181500    1.59746700
 C                  0.27439600   -0.65711200    2.59881200
 C                  2.32729700   -1.63925500    1.82240100
 C                  0.37612400   -1.36619900    3.78133600
 H                 -0.57247900   -0.00091700    2.45220000
 C                  2.43420100   -2.37166300    3.00485600
 H                  3.10281200   -1.75522000    1.07541800
 C                  1.45816400   -2.23534600    3.99666500
 H                 -0.37563200   -1.26847500    4.55654500
 H                  3.28179700   -3.03091700    3.13836100
 O                  0.68631800    5.94323600    1.71450900
 O                  6.65200600   -0.28688900   -2.19460300
 O                  1.46628300   -2.88562700    5.18486200
 C                  0.30604700    6.96942500    0.79475000
 C                  6.99373600   -1.23597400   -3.20668300
 C                  2.54201400   -3.78185300    5.47193800
 H                  2.33625900   -4.17847400    6.46325500
 H                  2.57606900   -4.60239400    4.75047300
 H                  3.50111800   -3.25735400    5.48071800
 H                  6.43845300   -1.04741800   -4.12928100
 H                  8.05707500   -1.09989800   -3.38913100
 H                  6.81002800   -2.25898100   -2.86770500
 H                  0.31748100    7.89414600    1.36665900
 H                  1.01769200    7.04295200   -0.03174300
 H                 -0.69933000    6.79556500    0.40239800
 C                 -3.18355400   -1.09075300   -0.09205200
 O                 -2.44293400   -0.60796200   -2.78443700
 N                 -1.84035300   -1.27678800    0.06121100
 C                 -3.82778700   -2.11438700   -0.78702800
 C                 -3.59372600   -0.94067300   -2.73334000
 O                 -4.66427800   -1.01467600   -3.22282700
 C                 -1.48693900   -2.65752800   -0.44169200
 C                 -0.37094500   -2.30619500   -1.42986500
 H                 -0.55159500   -2.57313800   -2.47125200
 H                  0.61891100   -2.62944500   -1.11272800
 C                 -5.28611200   -2.46531100   -0.72232700
 H                 -5.65164100   -2.81950800   -1.68972700
 H                 -5.90874800   -1.62242600   -0.42142900
 H                 -5.44940700   -3.27634200   -0.00137400
 C                 -3.81643000    0.12443300    0.47860400
 C                 -4.81460500    0.84754500   -0.19289400
 C                 -3.42195300    0.56379100    1.75156200
 C                 -5.38931600    1.97607300    0.38749300
 H                 -5.13963300    0.54265100   -1.17990200
 C                 -4.00331500    1.68561700    2.33588500
 H                 -2.67114500   -0.00075000    2.28865200
 C                 -4.98755400    2.39980600    1.65358800
 H                 -6.15158600    2.52618400   -0.15433100
 H                 -3.68805600    2.00067600    3.32519200
 H                 -5.43824500    3.27776300    2.10433100
 C                 -1.00839000   -3.54554000    0.70632200
 H                 -0.74299900   -4.53808300    0.32660900
 H                 -1.80181500   -3.66780500    1.44967600
 H                 -0.13641300   -3.11989000    1.20278900
 C                 -2.80293300   -3.20984300   -1.06053700
 H                 -3.10495600   -4.13646600   -0.55848100
 H                 -2.70900400   -3.46247500   -2.12127000

123
TS6-Rh   SCF Done:  E(RM06) =  -3888.59262075
 Rh                -0.16772200    1.03231700   -0.27151300
 Cl                -0.33286700    1.45039400    2.32983400
 P                 -1.74129800   -0.76310500   -0.04060900
 C                 -1.30393600   -2.06512300    1.19746600
 C                 -2.00023400   -2.17121600    2.40654900
 C                 -0.24262100   -2.96174600    0.98053500
 C                 -1.67452700   -3.13555500    3.35988000
 H                 -2.81592400   -1.49461900    2.62559300
 C                  0.08145300   -3.93532300    1.91183800
 H                  0.35095200   -2.90383900    0.07844000
 C                 -0.63194700   -4.03374700    3.11409400
 H                 -2.24294900   -3.17385900    4.28013200
 H                  0.89674900   -4.62666400    1.72992300
 C                 -2.22224300   -1.69531500   -1.56703300
 C                 -2.00181600   -3.06357300   -1.77953700
 C                 -2.89841400   -0.98334500   -2.56637200
 C                 -2.42891900   -3.68648100   -2.94495200
 H                 -1.51156500   -3.66746300   -1.02790400
 C                 -3.33599500   -1.59468300   -3.73793900
 H                 -3.10787900    0.07123400   -2.42634500
 C                 -3.09723600   -2.95992000   -3.93767100
 H                 -2.26017800   -4.74657100   -3.09928900
 H                 -3.85891100   -1.00183000   -4.47716500
 C                 -3.41835600   -0.23422300    0.53500900
 C                 -3.62878000    0.98415800    1.19158500
 C                 -4.51421700   -1.09243800    0.37351300
 C                 -4.88577300    1.33070400    1.66693300
 H                 -2.80118700    1.66203400    1.33967500
 C                 -5.78048000   -0.75776400    0.84656900
 H                 -4.39254700   -2.04488000   -0.12903500
 C                 -5.97344200    0.46493900    1.50121500
 H                 -5.04552700    2.28004000    2.16560900
 H                 -6.59803900   -1.45135700    0.69778000
 P                  2.08888900    0.04076500   -0.05543900
 C                  3.28984100    1.15838400   -0.91552900
 C                  3.65415700    2.37549400   -0.32961000
 C                  3.83407800    0.85119000   -2.17240600
 C                  4.54220200    3.25159800   -0.94930900
 H                  3.25547100    2.65126100    0.64003700
 C                  4.70733800    1.72227200   -2.80995600
 H                  3.58704500   -0.08325100   -2.66139800
 C                  5.07489100    2.92923500   -2.20326200
 H                  4.80554900    4.17454000   -0.44921300
 H                  5.12515800    1.47791300   -3.78053400
 C                  2.41761100   -1.57322700   -0.91138400
 C                  3.50784100   -2.37626600   -0.55786000
 C                  1.60577800   -2.01048400   -1.96989700
 C                  3.78916500   -3.56765200   -1.22456800
 H                  4.15740000   -2.08419700    0.25818900
 C                  1.87595600   -3.19013400   -2.64754700
 H                  0.74230100   -1.43185500   -2.26529700
 C                  2.97266300   -3.98229800   -2.28259300
 H                  4.64066000   -4.15687500   -0.90944100
 H                  1.23992300   -3.52174400   -3.46066300
 C                  2.88537600   -0.23061700    1.59019500
 C                  2.13330900   -0.82379200    2.61792400
 C                  4.23172800    0.04932700    1.84572200
 C                  2.70727400   -1.12731400    3.84169200
 H                  1.08569400   -1.03904300    2.46290300
 C                  4.81930600   -0.23876200    3.07857000
 H                  4.85212300    0.49735200    1.07958200
 C                  4.05612000   -0.83397300    4.08728600
 H                  2.12208900   -1.58435900    4.63222300
 H                  5.86390400    0.00052800    3.23082000
 O                  5.94406500    3.70827600   -2.89898100
 O                  4.52177300   -1.16016500    5.32132300
 O                  3.15291600   -5.11936500   -3.00071400
 O                 -3.47614100   -3.65899400   -5.03810800
 O                 -7.16191700    0.89546200    1.99915100
 O                 -0.23724500   -5.01615200    3.96374000
 C                  4.25245100   -5.97063400   -2.67381800
 H                  4.17219600   -6.34597800   -1.64997700
 H                  4.19603400   -6.80385700   -3.37039700
 H                  5.20657500   -5.45238500   -2.80253100
 C                 -4.17229300   -2.97364000   -6.07987600
 H                 -4.36771100   -3.72201000   -6.84440900
 H                 -5.12053100   -2.56441200   -5.72054100
 H                 -3.56210600   -2.17131900   -6.50354100
 C                 -0.92264100   -5.16158900    5.20831400
 H                 -0.44341200   -5.99803900    5.71177000
 H                 -0.82433000   -4.26235200    5.82248600
 H                 -1.98120100   -5.38770900    5.05364600
 C                  5.88592400   -0.87974800    5.63454400
 H                  6.02857000   -1.21816700    6.65832700
 H                  6.56548400   -1.42481200    4.97345100
 H                  6.09477900    0.19192800    5.57336000
 C                 -8.30716100    0.05350900    1.86572400
 H                 -9.12655000    0.59505200    2.33296100
 H                 -8.54526600   -0.12956000    0.81424200
 H                 -8.16103800   -0.89995900    2.38082800
 C                  6.35400600    4.95275600   -2.33190900
 H                  7.03405400    5.39598600   -3.05578600
 H                  5.50090500    5.61954900   -2.17872700
 H                  6.87885500    4.80369900   -1.38419700
 C                 -0.95712800    3.37813900   -0.48454300
 N                 -1.54135600    2.43406700   -1.28915500
 C                  0.32979000    3.74203700   -0.89738200
 C                 -0.65180300    2.30257700   -2.52225400
 C                 -0.05530500    0.92329200   -2.33038100
 H                  0.96250600    0.83062500   -2.70963600
 H                 -0.67862400    0.13389000   -2.74425700
 C                  1.21911800    4.78314900   -0.28712900
 H                  2.06782000    4.99456900   -0.93775300
 H                  1.61826700    4.48860700    0.68523200
 H                  0.67232300    5.72110300   -0.13073700
 C                 -1.76446600    4.07342000    0.54986500
 C                 -1.22652700    4.62745300    1.72070800
 C                 -3.12393500    4.29259700    0.27619900
 C                 -2.02175800    5.37541900    2.58524800
 H                 -0.19380400    4.44630600    1.97964600
 C                 -3.91744300    5.04529500    1.13791200
 H                 -3.54754200    3.86867800   -0.62562700
 C                 -3.36913100    5.59156600    2.29768600
 H                 -1.58650000    5.78646100    3.49058300
 H                 -4.96432500    5.20619900    0.90105600
 H                 -3.98493800    6.17933000    2.97083600
 C                 -1.46867600    2.50384500   -3.79525700
 H                 -0.82139700    2.43067700   -4.67541500
 H                 -1.94045900    3.49157300   -3.80245300
 H                 -2.25398700    1.75113900   -3.88802300
 C                  0.45845000    3.36224000   -2.34192000
 H                  0.26836100    4.25553600   -2.95647800
 H                  1.44919400    2.99625900   -2.62340300

123
TS7-Rh   SCF Done:  E(RM06) =  -3888.58012066
 Rh                -0.03667700    1.06352800   -0.81956500
 Cl                -0.36586700   -0.01535400   -3.21282800
 P                  1.32087800   -0.95767400    0.03578600
 C                  0.42383300   -2.58389500    0.03258500
 C                  0.64215100   -3.54116500   -0.97266400
 C                 -0.53924200   -2.87925000    1.00414900
 C                 -0.06938000   -4.73178900   -1.00176700
 H                  1.37882400   -3.36482800   -1.74577400
 C                 -1.25057800   -4.07823400    0.99666600
 H                 -0.75048900   -2.17297200    1.79583200
 C                 -1.02292100   -5.01508000   -0.01596300
 H                  0.10664200   -5.46316300   -1.78307700
 H                 -1.97759600   -4.26076700    1.77719200
 C                  2.01619200   -0.83957600    1.74567400
 C                  2.03639600   -1.90271300    2.66416300
 C                  2.64042500    0.35471400    2.12353800
 C                  2.63294300   -1.76573200    3.90880500
 H                  1.59211200   -2.85595300    2.40833500
 C                  3.25170100    0.50405300    3.36773000
 H                  2.67283700    1.19433400    1.44083600
 C                  3.24518200   -0.55955200    4.27593400
 H                  2.64363800   -2.59073700    4.61279800
 H                  3.72312300    1.44759600    3.61050300
 C                  2.83205900   -1.38901300   -0.94878200
 C                  2.81064600   -1.28775700   -2.34975700
 C                  3.99274200   -1.88434700   -0.34670200
 C                  3.90543300   -1.66972100   -3.11185500
 H                  1.92341000   -0.91325300   -2.84700800
 C                  5.10276500   -2.26367900   -1.10117300
 H                  4.05242400   -1.97890400    0.73059100
 C                  5.06519400   -2.15881200   -2.49504900
 H                  3.88393300   -1.59134200   -4.19360200
 H                  5.98215900   -2.63441100   -0.59038700
 O                 -1.66450800   -6.20754900   -0.12869200
 O                  3.80037800   -0.52516100    5.51431500
 O                  6.08755300   -2.49405100   -3.32492100
 C                 -2.64509300   -6.55141300    0.85064700
 C                  4.45267000    0.67216400    5.93946300
 C                  7.28686400   -3.02046400   -2.75598500
 H                  7.94723700   -3.22212000   -3.59629900
 H                  7.76011400   -2.29621800   -2.08728800
 H                  7.09334800   -3.95007100   -2.21364400
 H                  3.75620600    1.51461900    5.96794000
 H                  4.81564200    0.46830200    6.94419200
 H                  5.29762300    0.91524600    5.28941500
 H                 -3.01762200   -7.53178500    0.56252800
 H                 -2.20456800   -6.60888200    1.84986100
 H                 -3.47094400   -5.83475600    0.85367400
 C                  2.68290500    2.89596400   -0.67217400
 N                  2.13987600    3.50362100    0.33279400
 C                  1.72037400    2.53947400   -1.75492000
 C                  0.69440200    3.57701300    0.09746300
 C                  0.05528000    2.37209500    0.81741500
 H                 -0.93521000    2.63031900    1.19123900
 H                  0.67351600    1.99926500    1.63074700
 C                  2.12119800    2.30872100   -3.18711900
 H                  1.25639300    2.39532300   -3.84313400
 H                  2.55501700    1.32532700   -3.36279000
 H                  2.86651600    3.05265800   -3.49187000
 C                  4.15778000    2.72743100   -0.72195100
 C                  4.78811700    1.70346000   -1.43968600
 C                  4.96052600    3.64744500   -0.02504600
 C                  6.17879300    1.60054800   -1.45935500
 H                  4.20067300    0.96499800   -1.96654100
 C                  6.34647300    3.54527900   -0.04658900
 H                  4.47934500    4.44591200    0.52674800
 C                  6.96281000    2.52029100   -0.76733700
 H                  6.64586600    0.79628900   -2.01785000
 H                  6.94828800    4.26954800    0.49284600
 H                  8.04490300    2.44213500   -0.78942100
 C                  0.13863900    4.93929700    0.48963300
 H                 -0.93870200    4.98396200    0.31029000
 H                  0.61696500    5.73609300   -0.08793200
 H                  0.31986400    5.13011400    1.55029500
 C                  0.51530300    3.18275000   -1.38314800
 H                 -0.05459700    3.78715800   -2.08502700
 H                 -0.80247000    2.30320700   -1.45141400
 P                 -2.30439400    0.55756000   -0.12372500
 C                 -3.28457600    2.13087100   -0.11503400
 C                 -3.40457700    2.87082800   -1.29744200
 C                 -3.91077200    2.63083800    1.03524600
 C                 -4.12546800    4.06108100   -1.34763900
 H                 -2.93989000    2.51589900   -2.21165900
 C                 -4.62295400    3.82294700    1.00366700
 H                 -3.84637100    2.08990700    1.97130300
 C                 -4.74038400    4.54911400   -0.18721700
 H                 -4.19730000    4.59355600   -2.28714200
 H                 -5.10084100    4.20752200    1.89803000
 C                 -2.60585900   -0.10926600    1.57376700
 C                 -3.79124700   -0.79831500    1.88660500
 C                 -1.68002600    0.09163500    2.60043900
 C                 -4.03479000   -1.25886200    3.17010600
 H                 -4.53317400   -0.98431400    1.11943500
 C                 -1.91301300   -0.36195200    3.89886400
 H                 -0.74540100    0.59461300    2.39614600
 C                 -3.09907800   -1.04214100    4.19301700
 H                 -4.94891500   -1.79287800    3.40540000
 H                 -1.16318200   -0.18582300    4.65899300
 C                 -3.33362100   -0.54712100   -1.18408000
 C                 -2.81435200   -1.77149600   -1.61421300
 C                 -4.65848800   -0.23566600   -1.53247700
 C                 -3.57991500   -2.66840400   -2.35588100
 H                 -1.79327600   -2.03832200   -1.37972200
 C                 -5.42865200   -1.11556100   -2.27891800
 H                 -5.10126600    0.70151900   -1.21916900
 C                 -4.89735500   -2.34269000   -2.69692100
 H                 -3.13535200   -3.60477000   -2.66703200
 H                 -6.45029800   -0.86981800   -2.54749800
 O                 -5.72831600   -3.13632700   -3.42111200
 O                 -3.43041000   -1.52913600    5.41416300
 O                 -5.46026200    5.69834000   -0.11851600
 C                 -2.51633400   -1.34698000    6.49714500
 H                 -2.34772500   -0.28569500    6.69833700
 H                 -2.98866200   -1.80919100    7.36073500
 H                 -1.56169100   -1.84043900    6.29606100
 C                 -5.24192300   -4.39676400   -3.88335100
 H                 -4.96253300   -5.04496700   -3.04817300
 H                 -6.06664900   -4.84730500   -4.43088100
 H                 -4.38658000   -4.27045400   -4.55270200
 C                 -5.61622100    6.48245900   -1.30188400
 H                 -6.13687700    5.92216700   -2.08328900
 H                 -6.21823500    7.33957400   -1.00913400
 H                 -4.64973900    6.82832700   -1.67858400
 
123
TS7-Rh-1   SCF Done:  E(RM06) =  -3888.56789309
 Rh                 0.22261100   -1.20045800    0.27533400
 Cl                 0.71463300   -1.41838000   -2.22026300
 P                  1.42672100    1.16692700    0.24689600
 C                  0.77104900    2.63502400   -0.67806200
 C                  0.53878200    3.88364000   -0.08574600
 C                  0.62619000    2.52783000   -2.06550900
 C                  0.18566900    4.98488400   -0.85457500
 H                  0.64428000    4.00902400    0.98525600
 C                  0.27989000    3.62556100   -2.84852600
 H                  0.79483300    1.57228000   -2.55165400
 C                  0.05875500    4.86792800   -2.24311200
 H                  0.00910100    5.95140700   -0.39453500
 H                  0.17928900    3.49901500   -3.91877300
 C                  3.13952000    1.18992500   -0.46624900
 C                  3.87194600    2.38549800   -0.59894000
 C                  3.70545100    0.02460000   -0.98422900
 C                  5.12678900    2.39934200   -1.18387500
 H                  3.45158600    3.32431300   -0.25656100
 C                  4.96566200    0.02273700   -1.58651500
 H                  3.14798200   -0.90162300   -0.94388400
 C                  5.68948500    1.21344400   -1.68143300
 H                  5.68825600    3.32253400   -1.27883100
 H                  5.35915200   -0.90689900   -1.97683700
 C                  1.58784100    1.83590100    1.96610600
 C                  0.43896500    1.82098100    2.77743400
 C                  2.76593000    2.33765500    2.52468000
 C                  0.46420800    2.30363200    4.07602000
 H                 -0.49269400    1.42197600    2.39176800
 C                  2.81138100    2.81575900    3.83576000
 H                  3.68206500    2.35068500    1.94757900
 C                  1.65462300    2.80736200    4.62024700
 H                 -0.42776100    2.29135500    4.69282800
 H                  3.75006800    3.18756100    4.22598700
 O                 -0.28175400    6.00583700   -2.90828100
 O                  6.92181300    1.33120200   -2.24131800
 O                  1.58285800    3.25038300    5.90236300
 C                 -0.47346700    5.93903300   -4.32090900
 C                  7.54153000    0.16367900   -2.78092500
 C                  2.76397800    3.77026800    6.51332200
 H                  2.47103200    4.06197600    7.51928200
 H                  3.54908000    3.01101400    6.56866400
 H                  3.13674200    4.64573400    5.97447000
 H                  6.94831900   -0.25930600   -3.59633800
 H                  8.50408200    0.49252300   -3.16613000
 H                  7.69802000   -0.59509600   -2.00923900
 H                 -0.73927000    6.94769300   -4.63014100
 H                  0.44247100    5.63278200   -4.83427500
 H                 -1.28705300    5.25432900   -4.57275200
 C                  2.46683000   -3.43820700    0.77430100
 N                  1.50866600   -4.30038900    0.85641100
 C                  2.19742100   -2.16189300    1.47875200
 C                  0.38005700   -3.66542600    1.55031600
 C                 -0.55155800   -3.13994700    0.45555200
 H                 -1.59024000   -3.16286800    0.78055300
 H                 -0.44053600   -3.64954100   -0.49919400
 C                  3.27248000   -1.28640000    2.06024500
 H                  2.85637800   -0.37700300    2.48869600
 H                  4.03727900   -1.00214600    1.34054200
 H                  3.77512900   -1.82113000    2.87702100
 C                  3.70269700   -3.77095400    0.01333700
 C                  4.98504800   -3.58555000    0.54786400
 C                  3.58397300   -4.34296400   -1.26202400
 C                  6.11673200   -3.95997400   -0.17533700
 H                  5.10809300   -3.17511300    1.54226200
 C                  4.71473400   -4.70516500   -1.98876900
 H                  2.59596800   -4.49509100   -1.68015300
 C                  5.98635100   -4.51489900   -1.44727200
 H                  7.10098000   -3.82115400    0.25989200
 H                  4.60312300   -5.13816400   -2.97753800
 H                  6.86836900   -4.80092500   -2.01085300
 C                 -0.25183900   -4.61085500    2.56298500
 H                 -1.10576500   -4.14077700    3.05795000
 H                  0.47209500   -4.90073700    3.33091100
 H                 -0.60149000   -5.51796900    2.06395500
 C                  0.94219700   -2.34176200    2.13397300
 H                  0.83630300   -2.11050900    3.19572000
 H                  0.04968700   -1.28751000    1.90250200
 P                 -2.11410800   -0.57111200   -0.11632200
 C                 -3.06108900   -0.14067100    1.41623400
 C                 -4.27020700    0.56624900    1.35791900
 C                 -2.63321200   -0.57946400    2.67820600
 C                 -5.01809200    0.84066200    2.50061600
 H                 -4.64952300    0.91633500    0.40588600
 C                 -3.36677000   -0.31938800    3.82566000
 H                 -1.70883300   -1.13283100    2.77418300
 C                 -4.56796400    0.39795000    3.74992900
 H                 -5.94260100    1.39458800    2.40171800
 H                 -3.02201000   -0.66055000    4.79540500
 C                 -3.12352800   -1.94912900   -0.84738500
 C                 -2.63561000   -2.65069400   -1.96493800
 C                 -4.36673600   -2.32718100   -0.33495500
 C                 -3.37441900   -3.66394500   -2.55379100
 H                 -1.65972500   -2.40745500   -2.36834200
 C                 -5.11636200   -3.35412200   -0.91293200
 H                 -4.77595000   -1.83047900    0.53545700
 C                 -4.62569900   -4.02668400   -2.03472400
 H                 -2.99388800   -4.19861400   -3.41751500
 H                 -6.07278100   -3.61300900   -0.47714200
 C                 -2.54969000    0.83635400   -1.23837000
 C                 -2.93845800    0.62707700   -2.56411100
 C                 -2.53835100    2.15924200   -0.76289300
 C                 -3.32459700    1.68272500   -3.39094700
 H                 -2.96900300   -0.37302500   -2.97592300
 C                 -2.93706900    3.21336900   -1.56640000
 H                 -2.23635500    2.37274300    0.25505500
 C                 -3.33457200    2.98600700   -2.89076600
 H                 -3.62228800    1.46847600   -4.40927500
 H                 -2.93628800    4.22918200   -1.18910900
 O                 -3.70035700    4.08653000   -3.60326000
 O                 -5.27005700   -5.03392800   -2.67997600
 O                 -5.21087900    0.61083900    4.92417600
 C                 -6.54599100   -5.45085900   -2.19428700
 H                 -7.27212700   -4.63413200   -2.23481200
 H                 -6.86563600   -6.25245300   -2.85627900
 H                 -6.47656600   -5.83019500   -1.17093500
 C                 -4.19028300    3.90533800   -4.93230100
 H                 -5.08072800    3.27082000   -4.94135000
 H                 -4.44986100    4.89943800   -5.28916800
 H                 -3.42560300    3.47366300   -5.58381100
 C                 -6.44107100    1.33783000    4.91302300
 H                 -7.19965400    0.82279300    4.31763500
 H                 -6.76403200    1.38347200    5.95038100
 H                 -6.29779900    2.35211700    4.53103400
 
123
TS8-Rh   SCF Done:  E(RM06) =  -3888.56997038 
 Rh                -0.49255000    0.16673000    0.21017500
 Cl                -1.97886700    0.35973600    2.21025300
 P                 -1.03920000   -2.18476700    0.25625200
 C                 -0.70271600   -2.96401200    1.89158200
 C                 -1.66837900   -3.62810200    2.66150600
 C                  0.58977900   -2.85194400    2.41607600
 C                 -1.34805900   -4.16828000    3.89895400
 H                 -2.68583400   -3.71999200    2.30175200
 C                  0.92876900   -3.39857700    3.65225900
 H                  1.35845100   -2.32583400    1.85879800
 C                 -0.04583400   -4.06423700    4.40484800
 H                 -2.09873600   -4.67618600    4.49462600
 H                  1.94235600   -3.29092000    4.01610300
 C                 -0.34309700   -3.39657000   -0.95566000
 C                  0.23439100   -4.62041000   -0.58668600
 C                 -0.44464300   -3.10480100   -2.31988200
 C                  0.70245500   -5.50838300   -1.54612200
 H                  0.32495200   -4.88760100    0.45940600
 C                  0.01462800   -3.98792900   -3.29395700
 H                 -0.89807600   -2.17245200   -2.64166700
 C                  0.59823900   -5.20165600   -2.90899800
 H                  1.14996200   -6.45324300   -1.25770400
 H                 -0.08664400   -3.72075800   -4.33790800
 C                 -2.84117900   -2.44228400   -0.07968900
 C                 -3.71921700   -1.35962100   -0.24089000
 C                 -3.35857200   -3.73226900   -0.25465400
 C                 -5.05729200   -1.56031700   -0.54690200
 H                 -3.35386300   -0.34846800   -0.12111300
 C                 -4.70222600   -3.95005600   -0.55097800
 H                 -2.70918600   -4.59651400   -0.17016600
 C                 -5.56464500   -2.85713800   -0.69868900
 H                 -5.73027100   -0.71935900   -0.67383700
 H                 -5.05672200   -4.96554600   -0.67174400
 O                  0.16815600   -4.62876000    5.62194800
 O                  1.08209900   -6.13430000   -3.76896900
 O                 -6.88677100   -2.95044900   -0.99313000
 C                  1.47447300   -4.55178200    6.19276200
 C                  1.00181300   -5.88144600   -5.17218100
 C                 -7.46325000   -4.24631900   -1.15905300
 H                 -8.51450100   -4.07448800   -1.37855700
 H                 -7.00073200   -4.78258300   -1.99221900
 H                 -7.37468100   -4.83975400   -0.24493300
 H                  1.56661300   -4.98635600   -5.44673300
 H                  1.44474000   -6.75050800   -5.65311100
 H                 -0.03678800   -5.77563000   -5.49735300
 H                  1.40802400   -5.06433800    7.14972000
 H                  2.21339200   -5.05380100    5.56194500
 H                  1.77557300   -3.51337300    6.35666200
 C                  4.70223600   -0.74032000   -0.53433400
 N                  3.88712900    0.11701000   -1.05577700
 C                  4.07890100   -2.08053400   -0.32883500
 C                  2.58170400   -0.55419000   -1.25837600
 C                  1.59731500    0.28680100   -0.40169100
 H                  1.76146800    1.31967600   -0.69104900
 H                  1.87393500    0.16106200    0.64931000
 C                  4.73520900   -3.32574800    0.18973300
 H                  4.11729200   -4.19934100   -0.02548700
 H                  4.88607300   -3.29236000    1.27320300
 H                  5.71713400   -3.48515800   -0.26398200
 C                  6.10813400   -0.36605500   -0.24672600
 C                  6.81647600   -0.90426900    0.83669100
 C                  6.74684100    0.58209500   -1.06178800
 C                  8.12576300   -0.50369900    1.09863300
 H                  6.34287700   -1.61930300    1.49756500
 C                  8.05626000    0.97370600   -0.80575500
 H                  6.20177700    1.00327100   -1.89825600
 C                  8.75141900    0.43136900    0.27668100
 H                  8.65530100   -0.92335400    1.94758800
 H                  8.53696100    1.70163600   -1.45117800
 H                  9.77323800    0.73642500    0.47701500
 C                  2.26224900   -0.51480600   -2.76305500
 H                  1.31904900   -1.02005200   -2.97490200
 H                  3.05064300   -1.01333100   -3.33181200
 H                  2.19026700    0.51916800   -3.10457400
 C                  2.81510200   -1.95488900   -0.76692400
 H                  2.07987200   -2.74415600   -0.81685400
 H                  0.25915700    0.01478800   -1.18514900
 P                 -0.65588000    2.54397500   -0.03622900
 C                  0.19853200    3.25220800   -1.51491500
 C                  0.08793400    2.59371700   -2.74485700
 C                  0.95057200    4.43748900   -1.47478100
 C                  0.67347700    3.09865200   -3.90450500
 H                 -0.45836400    1.65881800   -2.80948700
 C                  1.54985300    4.94521700   -2.61777200
 H                  1.07939100    4.97257300   -0.54223200
 C                  1.41107600    4.28643300   -3.84674100
 H                  0.55582200    2.55551800   -4.83311500
 H                  2.13367700    5.85838300   -2.57965700
 C                 -0.04291400    3.54443100    1.37803800
 C                 -0.42866600    4.88025100    1.59042200
 C                  0.86437500    2.97370400    2.27402300
 C                  0.08154800    5.61035600    2.65097200
 H                 -1.14045800    5.35462900    0.92431900
 C                  1.38985400    3.69730900    3.34412100
 H                  1.16179700    1.93911200    2.14941800
 C                  0.99941600    5.02613800    3.53785400
 H                 -0.21834100    6.63943900    2.81571600
 H                  2.08728400    3.21382200    4.01569800
 C                 -2.40416200    3.11088000   -0.24908400
 C                 -3.23499200    3.26279700    0.86742100
 C                 -2.96342000    3.34598200   -1.51578200
 C                 -4.56971300    3.64251200    0.73978300
 H                 -2.84494400    3.08065500    1.86000700
 C                 -4.29221100    3.71791200   -1.65704100
 H                 -2.35936400    3.25278200   -2.40955700
 C                 -5.11047600    3.87036900   -0.53032300
 H                 -5.17066200    3.75453400    1.63306300
 H                 -4.71538600    3.90316000   -2.63831000
 O                 -6.39501800    4.24219100   -0.77085800
 O                  1.43955700    5.82299100    4.54372700
 O                  2.02740300    4.86700400   -4.90738500
 C                  2.37157500    5.28835400    5.48497200
 H                  3.30055100    4.98593000    4.99408900
 H                  2.57738200    6.09483100    6.18490500
 H                  1.94580800    4.43777800    6.02407200
 C                 -7.27695200    4.41479800    0.33855500
 H                 -6.92261600    5.20340300    1.00817800
 H                 -8.23382700    4.70595700   -0.08876000
 H                 -7.39707600    3.48353000    0.89897900
 C                  1.92121200    4.24396000   -6.18813200
 H                  0.87938500    4.18498100   -6.51490500
 H                  2.47951400    4.87978100   -6.87131100
 H                  2.36194000    3.24334900   -6.18005200
 
123
TS8-Rh-1   SCF Done:  E(RM06) =  -3888.57257638
 Rh                 0.31891600   -0.51494700   -0.76545400
 Cl                 0.39917400   -2.62723300   -2.10853100
 P                 -2.11554100   -1.18349700   -0.40971400
 C                 -2.10762400   -2.92055700    0.21684300
 C                 -3.00361000   -3.90659800   -0.22024600
 C                 -1.17067500   -3.27389500    1.19205800
 C                 -2.96537800   -5.19029700    0.30426600
 H                 -3.73484200   -3.68206300   -0.98729200
 C                 -1.12661200   -4.55641400    1.73705800
 H                 -0.44842200   -2.54293700    1.54008900
 C                 -2.03018000   -5.52744200    1.29206500
 H                 -3.65487500   -5.95287100   -0.04141700
 H                 -0.38450300   -4.78315800    2.49158700
 C                 -3.11841700   -1.20119600   -1.95739900
 C                 -4.51562800   -1.36922800   -1.93300800
 C                 -2.50395800   -1.02805400   -3.20033500
 C                 -5.25669600   -1.37687000   -3.10305800
 H                 -5.03528700   -1.48499300   -0.98898100
 C                 -3.23806700   -1.02883400   -4.38656300
 H                 -1.42964200   -0.90361100   -3.24996900
 C                 -4.62428300   -1.20714800   -4.34413300
 H                 -6.33298800   -1.50806000   -3.08029700
 H                 -2.71897100   -0.88936900   -5.32602900
 C                 -3.28388500   -0.35586300    0.76909200
 C                 -3.89504200    0.86148000    0.42058900
 C                 -3.58693900   -0.89780500    2.02005500
 C                 -4.76707300    1.50173300    1.28520900
 H                 -3.70135100    1.31403100   -0.54414500
 C                 -4.46041000   -0.26160600    2.90336100
 H                 -3.15033300   -1.84035800    2.32641800
 C                 -5.05364300    0.94939400    2.54153500
 H                 -5.23866500    2.43806300    1.00702200
 H                 -4.66487900   -0.72247900    3.86112800
 O                 -2.07668800   -6.80788700    1.74449800
 O                 -5.43683600   -1.22504200   -5.43068900
 O                 -5.91104500    1.65817500    3.32384900
 C                 -1.14639400   -7.21358500    2.74839200
 C                 -4.85542700   -1.05714500   -6.72448500
 C                 -6.23000400    1.15022200    4.61910800
 H                 -6.90878000    1.87592200    5.06152100
 H                 -6.72893700    0.17920200    4.55324800
 H                 -5.33532600    1.06149200    5.24177300
 H                 -4.14108600   -1.85522400   -6.94404100
 H                 -5.68347300   -1.10827200   -7.42766000
 H                 -4.36120900   -0.08592100   -6.81356300
 H                 -1.37059600   -8.25809600    2.95255600
 H                 -0.11579700   -7.12566700    2.39350900
 H                 -1.27094600   -6.62921800    3.66436600
 C                  5.60835400   -1.52351200   -0.86885900
 N                  4.86679500   -0.49650500   -1.12428400
 C                  4.93551700   -2.81762300   -1.18197000
 C                  3.56625200   -0.98525400   -1.64685500
 C                  2.49546400   -0.43858900   -0.66191100
 H                  2.82213100    0.55250000   -0.37052200
 H                  2.47018100   -1.06593700    0.23642900
 C                  5.50915700   -4.19930500   -1.06301500
 H                  4.88912000   -4.91632100   -1.60474700
 H                  5.56433600   -4.53784800   -0.02348200
 H                  6.52302000   -4.25499400   -1.46933700
 C                  6.99398200   -1.34859400   -0.36741600
 C                  7.58033700   -2.24947500    0.53251900
 C                  7.73889300   -0.23196200   -0.77867300
 C                  8.87315500   -2.03797700    1.00946000
 H                  7.02252400   -3.10776900    0.88585000
 C                  9.03215900   -0.02653200   -0.31026200
 H                  7.28859000    0.46857900   -1.47205200
 C                  9.60494000   -0.93014600    0.58660600
 H                  9.30686700   -2.74072100    1.71335300
 H                  9.59592400    0.83800200   -0.64560300
 H                 10.61399000   -0.77081800    0.95242700
 C                  3.40257000   -0.43339600   -3.07625700
 H                  2.47943500   -0.80643800   -3.52193100
 H                  4.24298000   -0.73813600   -3.70513000
 H                  3.36817200    0.65881200   -3.05549400
 C                  3.72161800   -2.48270200   -1.64846700
 H                  2.95434200   -3.15536400   -2.00261500
 H                  1.35385500    0.15006800   -1.73350400
 P                  0.16849600    1.52892000    0.29545100
 C                  1.72076300    2.53079200    0.45525100
 C                  2.24320800    3.15465400   -0.68371600
 C                  2.41999800    2.67705300    1.66152800
 C                  3.41530000    3.90425200   -0.63540800
 H                  1.73184000    3.06403500   -1.63649500
 C                  3.59015700    3.42170700    1.72495000
 H                  2.05002900    2.21477900    2.56850000
 C                  4.10037600    4.04243900    0.57842100
 H                  3.77933000    4.37141700   -1.54128900
 H                  4.12454400    3.53727100    2.66157800
 C                 -0.39124000    1.36443100    2.04180500
 C                 -1.30680100    2.21876200    2.67315500
 C                  0.17620400    0.33558800    2.80180800
 C                 -1.62587100    2.05739800    4.01213500
 H                 -1.79464200    3.00933500    2.11848500
 C                 -0.12981000    0.16529500    4.15128800
 H                  0.87521100   -0.35324100    2.33865800
 C                 -1.03782100    1.03353800    4.76673400
 H                 -2.34153000    2.71396300    4.49447500
 H                  0.33598400   -0.64299100    4.69986400
 C                 -0.90901000    2.76386400   -0.54576600
 C                 -1.01433600    4.08401300   -0.08831800
 C                 -1.56893200    2.43036900   -1.73700400
 C                 -1.78393100    5.02998500   -0.76034000
 H                 -0.47444800    4.40111500    0.79666700
 C                 -2.33093000    3.36357300   -2.42439500
 H                 -1.47198600    1.42821200   -2.13660800
 C                 -2.45517600    4.67116300   -1.93668200
 H                 -1.84063200    6.03709500   -0.36824200
 H                 -2.83606700    3.09981900   -3.34693200
 O                 -3.22483300    5.51121300   -2.67184400
 O                 -1.42024900    0.95948600    6.06795800
 O                  5.24767800    4.75034700    0.74256500
 C                 -0.85180400   -0.05882000    6.89226700
 H                  0.23433600    0.04735200    6.96069300
 H                 -1.29197200    0.08012100    7.87700600
 H                 -1.10132400   -1.05608300    6.51965600
 C                 -3.38899400    6.85963700   -2.22881000
 H                 -2.43187300    7.38740000   -2.20319400
 H                 -4.04284200    7.33063600   -2.95900500
 H                 -3.85773100    6.89745600   -1.24183400
 C                  5.82163800    5.39937900   -0.39247500
 H                  5.14098000    6.14745400   -0.80821400
 H                  6.71987000    5.89149600   -0.02662900
 H                  6.09244500    4.67696200   -1.16728200
 
123
TS9-Rh   SCF Done:  E(RM06) =  -3888.56946472
 Rh                 0.22754900    0.40019800   -1.36292700
 Cl                -0.81708900    1.92416500   -3.13449900
 P                  1.05639300   -0.95495300    0.32784900
 C                  0.01216900   -2.45919400    0.62532900
 C                 -0.47406800   -3.15035800   -0.49693200
 C                 -0.25132100   -3.00580500    1.88202600
 C                 -1.17398100   -4.34004000   -0.36974100
 H                 -0.30452400   -2.75061400   -1.48976600
 C                 -0.96173100   -4.19690600    2.02866500
 H                  0.07173800   -2.49908600    2.78108800
 C                 -1.42569900   -4.87629100    0.89975600
 H                 -1.54514000   -4.86491900   -1.24327100
 H                 -1.15529200   -4.57063800    3.02581600
 C                  1.28146900   -0.10936800    1.95299000
 C                  1.84205000   -0.74656600    3.07685000
 C                  0.95688100    1.24257400    2.07014800
 C                  2.01757700   -0.06884400    4.27116900
 H                  2.16793000   -1.77813900    3.01632800
 C                  1.13467700    1.94339700    3.26384200
 H                  0.56927000    1.76866400    1.20594000
 C                  1.65725500    1.28412900    4.37961100
 H                  2.44544900   -0.56440900    5.13576700
 H                  0.86995400    2.99197500    3.30300100
 C                  2.72546100   -1.77795800    0.16598400
 C                  2.88052500   -3.08183600   -0.33685800
 C                  3.88329200   -1.09997000    0.55596300
 C                  4.13166500   -3.67160000   -0.44257500
 H                  2.01666600   -3.66165200   -0.63721100
 C                  5.14753300   -1.68077600    0.46362000
 H                  3.80996200   -0.10062600    0.96415800
 C                  5.28078200   -2.97752600   -0.04200400
 H                  4.23814100   -4.68112500   -0.82452200
 H                  6.01061400   -1.11635200    0.79287800
 O                 -2.13240100   -6.03769100    0.92948000
 O                  1.86927500    1.85789800    5.59065000
 O                  6.45769400   -3.64348400   -0.17318900
 C                 -2.43055500   -6.62239300    2.19729800
 C                  1.53413200    3.23560500    5.76392500
 C                  7.66195200   -2.99109700    0.22975100
 H                  8.46111800   -3.70332700    0.03740100
 H                  7.83594600   -2.08285400   -0.35391400
 H                  7.64271900   -2.74511900    1.29516600
 H                  0.46776900    3.40775200    5.59462300
 H                  1.77978500    3.47010800    6.79706600
 H                  2.12059800    3.87258700    5.09631300
 H                 -2.99714900   -7.52500000    1.97961900
 H                 -1.51679900   -6.88791100    2.73641300
 H                 -3.03702200   -5.95101100    2.81162600
 P                 -1.95281700    0.55856000   -0.41263000
 C                 -2.37203600    2.26858700    0.16813300
 C                 -1.51905200    3.34009400   -0.10458700
 C                 -3.53784600    2.53691900    0.91029700
 C                 -1.80567100    4.63664200    0.32468100
 H                 -0.61542600    3.16546700   -0.67276100
 C                 -3.83991800    3.81949300    1.33838000
 H                 -4.21675300    1.73355000    1.17019800
 C                 -2.97607600    4.88560600    1.04703400
 H                 -1.11236600    5.43383700    0.08939300
 H                 -4.74167000    4.01901100    1.90709200
 C                 -2.59772500   -0.42579500    1.02938000
 C                 -3.44736500   -1.52950500    0.85741300
 C                 -2.27374700   -0.05901800    2.33952500
 C                 -3.94530600   -2.23118100    1.94460600
 H                 -3.73717400   -1.84676800   -0.13599300
 C                 -2.76659100   -0.75401000    3.44298200
 H                 -1.63501300    0.79549200    2.52401900
 C                 -3.60722600   -1.85390300    3.24892300
 H                 -4.60169200   -3.08264500    1.80101500
 H                 -2.48816000   -0.42726600    4.43678300
 C                 -3.21687200    0.15005600   -1.70414600
 C                 -2.99485100   -0.94787500   -2.53865500
 C                 -4.41275800    0.86316500   -1.86967000
 C                 -3.92404600   -1.34326600   -3.50047100
 H                 -2.07111400   -1.50739700   -2.45182900
 C                 -5.34362800    0.48966300   -2.82861600
 H                 -4.62400000    1.73258700   -1.25970000
 C                 -5.11155900   -0.62000900   -3.65157000
 H                 -3.70635900   -2.20179000   -4.12277200
 H                 -6.26214800    1.05171300   -2.95934100
 O                 -6.08516900   -0.90546900   -4.55721400
 O                 -4.13748300   -2.61317500    4.24710600
 O                 -3.35717000    6.10373600    1.51099300
 C                 -3.83797900   -2.26793600    5.59887900
 H                 -4.19658200   -1.26346700    5.84105900
 H                 -4.36237600   -2.99666600    6.21306300
 H                 -2.76426800   -2.33134300    5.79689700
 C                 -5.89554900   -2.01167900   -5.43859500
 H                 -5.80662100   -2.95081000   -4.88507800
 H                 -6.78370000   -2.04464700   -6.06568800
 H                 -5.01165400   -1.87125900   -6.06716900
 C                 -2.52182100    7.23018800    1.24241700
 H                 -2.41770500    7.39874300    0.16707700
 H                 -3.02241900    8.08262100    1.69592000
 H                 -1.53291200    7.10709300    1.69263700
 C                  3.34648700    1.19457800   -2.04124100
 N                  2.07759000    0.90337900   -2.62518000
 C                  4.39093400    0.67804800   -2.73498900
 C                  2.34789600    0.01661200   -3.78906900
 C                  1.62336700   -0.91303500   -2.91388200
 H                  2.20799300   -1.56958700   -2.29009500
 H                  0.61944000   -1.22261100   -3.18285500
 C                  5.85574700    0.95126000   -2.61102200
 H                  6.37408300    0.13550000   -2.09144100
 H                  6.07202500    1.87327700   -2.07008700
 H                  6.31200600    1.02478800   -3.60381500
 C                  3.40480400    2.23013100   -0.98391200
 C                  4.44546500    2.28934200   -0.04255600
 C                  2.43879100    3.25162300   -0.96120500
 C                  4.52541300    3.33422500    0.87696200
 H                  5.19616500    1.51031500   -0.01716700
 C                  2.52358200    4.29807200   -0.04724600
 H                  1.62958200    3.21643800   -1.67956000
 C                  3.56823000    4.34685500    0.87670300
 H                  5.33842500    3.35283200    1.59577900
 H                  1.77354800    5.08257000   -0.05960900
 H                  3.63366200    5.16321300    1.58864900
 C                  1.69609400    0.41295300   -5.10072600
 H                  1.84864200   -0.38177100   -5.83875000
 H                  2.15041700    1.32850600   -5.49129900
 H                  0.62886200    0.58757500   -4.97683100
 C                  3.87654400   -0.16712100   -3.87353900
 H                  4.26808100    0.20477200   -4.82909400
 H                  4.18676300   -1.21588600   -3.80623600
 
123
TS9-Rh-1   SCF Done:  E(RM06) =  -3888.56628793
 Rh                -0.48613700    0.81208900   -0.81879300
 Cl                 0.23096500    3.11555400   -1.66286400
 P                 -1.14635600   -1.15947200    0.22599900
 C                 -0.57466500   -1.19507400    1.99093500
 C                 -0.65431600    0.00473300    2.71743300
 C                 -0.16364000   -2.33936000    2.67570500
 C                 -0.36077300    0.05252900    4.07107900
 H                 -0.94862900    0.91792600    2.21120400
 C                  0.14326800   -2.30674800    4.03618500
 H                 -0.05187700   -3.28208400    2.15755200
 C                  0.03954800   -1.10810100    4.74595500
 H                 -0.42586800    0.98355200    4.62368900
 H                  0.47132600   -3.21745800    4.52053700
 C                 -0.60144900   -2.73497900   -0.56650100
 C                 -0.94083400   -4.01408800   -0.08311200
 C                  0.14704100   -2.67083600   -1.74400100
 C                 -0.52100500   -5.16212600   -0.73327800
 H                 -1.56045500   -4.12208000    0.79874400
 C                  0.57132800   -3.81663800   -2.41744000
 H                  0.41493400   -1.70037400   -2.14599700
 C                  0.24370100   -5.07610800   -1.90772900
 H                 -0.78343300   -6.14377800   -0.35444600
 H                  1.14982600   -3.71040000   -3.32596300
 C                 -2.96286800   -1.49630900    0.51642900
 C                 -3.65985700   -0.81642300    1.53105600
 C                 -3.68479500   -2.42952600   -0.23094900
 C                 -5.00502300   -1.04652600    1.77073400
 H                 -3.14645700   -0.11072400    2.17134400
 C                 -5.03881100   -2.68015000    0.00049700
 H                 -3.19975400   -2.99699300   -1.01347500
 C                 -5.71325400   -1.98226100    1.00431200
 H                 -5.52616600   -0.51620600    2.56041400
 H                 -5.54415800   -3.42051400   -0.60648100
 O                  0.31360900   -0.96462600    6.07057500
 O                  0.60137300   -6.25682100   -2.46941100
 O                 -7.02560000   -2.14360300    1.31835800
 C                  0.72970300   -2.11264400    6.80962400
 C                  1.37796700   -6.23875100   -3.66865300
 C                 -7.79273100   -3.09089600    0.57559100
 H                 -8.79640000   -3.04956500    0.99261400
 H                 -7.82844200   -2.82814300   -0.48540000
 H                 -7.39263100   -4.10227400    0.68994700
 H                  2.33984000   -5.74408100   -3.50928400
 H                  1.54468900   -7.28198200   -3.92626800
 H                  0.83944700   -5.74409900   -4.48139700
 H                  0.88339700   -1.76697600    7.82944700
 H                 -0.03943600   -2.89013100    6.80136900
 H                  1.66648500   -2.51937600    6.41841000
 P                  1.81870400    0.63840700   -0.24022400
 C                  2.90106000    0.44667200   -1.73795500
 C                  2.41464900    0.75254700   -3.01140800
 C                  4.23496600    0.00643600   -1.64255100
 C                  3.20805300    0.63309900   -4.15318200
 H                  1.40107600    1.11233800   -3.11924300
 C                  5.03677500   -0.11532400   -2.76622400
 H                  4.65493000   -0.25661700   -0.67950900
 C                  4.53079700    0.19697800   -4.03621000
 H                  2.78230200    0.88254700   -5.11667800
 H                  6.06338700   -0.45535800   -2.68310500
 C                  2.54483600   -0.67446100    0.86061400
 C                  2.91991800   -0.40135000    2.18542000
 C                  2.75325600   -1.97319000    0.38646800
 C                  3.47702000   -1.38089400    2.99295600
 H                  2.78460000    0.59075500    2.59653100
 C                  3.31021100   -2.97018600    1.18643500
 H                  2.49949000   -2.22785600   -0.63443300
 C                  3.67317500   -2.67750800    2.50427600
 H                  3.76528000   -1.15938100    4.01485000
 H                  3.45588300   -3.95840700    0.76939000
 C                  2.45111300    2.16384500    0.60255700
 C                  1.61856400    2.83558800    1.49965100
 C                  3.75340400    2.65434600    0.42803800
 C                  2.05488200    3.94817300    2.21834000
 H                  0.59802200    2.49963500    1.63476200
 C                  4.20047400    3.76711800    1.12612900
 H                  4.43253700    2.17647500   -0.26739100
 C                  3.35731900    4.42250000    2.03328100
 H                  1.37083700    4.43654200    2.90038500
 H                  5.20577100    4.14794800    0.98095200
 O                  3.88924800    5.49955900    2.67122500
 O                  4.21550800   -3.57011400    3.37773100
 O                  5.39247800    0.04154300   -5.07445400
 C                  4.44474300   -4.90642700    2.93357700
 H                  5.14948400   -4.93244000    2.09751500
 H                  4.87435900   -5.43080500    3.78432200
 H                  3.51058000   -5.39409100    2.64058200
 C                  3.07684800    6.21050800    3.60456000
 H                  2.76826400    5.56727600    4.43365900
 H                  3.70097200    7.01602600    3.98509000
 H                  2.19234100    6.63394200    3.12036100
 C                  4.93787400    0.34640200   -6.39321300
 H                  4.64385900    1.39607300   -6.47880500
 H                  5.78442200    0.15326800   -7.04819900
 H                  4.10047300   -0.29465700   -6.68244200
 C                 -3.05778100    2.48578600   -1.64168500
 N                 -2.53245600    1.15625400   -1.63099500
 C                 -3.77402100    2.78120300   -2.75113500
 C                 -2.83696900    0.59767000   -2.99247600
 C                 -1.39387400    0.80613200   -3.13037100
 H                 -1.03751800    1.76346600   -3.47705800
 H                 -0.72751500   -0.04334200   -3.21450300
 C                 -4.63722800    3.96743000   -3.03694500
 H                 -4.22990500    4.57249100   -3.85653000
 H                 -4.75833200    4.62010200   -2.17225200
 H                 -5.63343100    3.64309600   -3.36233800
 C                 -2.96134700    3.33332000   -0.43013500
 C                 -2.68511700    4.70530700   -0.51763100
 C                 -3.21649000    2.79019700    0.83626300
 C                 -2.66829500    5.50656500    0.62206100
 H                 -2.45040500    5.14049000   -1.48159000
 C                 -3.19813100    3.58852000    1.97833100
 H                 -3.44937900    1.73674400    0.91609000
 C                 -2.92367600    4.95230100    1.87642600
 H                 -2.44402400    6.56475300    0.53077300
 H                 -3.40618200    3.14545400    2.94740900
 H                 -2.90881100    5.57639800    2.76424000
 C                 -3.32567300   -0.83145700   -3.07925100
 H                 -3.43428200   -1.10351300   -4.13427200
 H                 -4.29684800   -0.94809500   -2.59515500
 H                 -2.62413000   -1.53095700   -2.62763900
 C                 -3.75569200    1.60982100   -3.69776300
 H                 -4.77007300    1.20482500   -3.82398900
 H                 -3.40054300    1.86261300   -4.70252500
 
123
TS9-Rh-2   SCF Done:  E(RM06) =  -3888.55649875
 Rh                 0.08251800    0.26620200   -0.12955400
 Cl                 0.21764800    1.61385000    1.93565300
 P                  2.49601800    0.12538800    0.13333200
 C                  3.02212000   -0.84974800    1.62320500
 C                  4.34871600   -1.29700100    1.77348700
 C                  2.11140000   -1.18423000    2.62786500
 C                  4.74195500   -2.02785800    2.88284300
 H                  5.08651200   -1.07949100    1.01016800
 C                  2.49032500   -1.92358400    3.74948800
 H                  1.08547500   -0.85398100    2.54305300
 C                  3.81485000   -2.34884300    3.88523600
 H                  5.76645300   -2.36690200    2.99216200
 H                  1.74622900   -2.15843900    4.49974700
 C                  3.25107500    1.79526900    0.36882300
 C                  4.23674500    2.08089700    1.32466200
 C                  2.83020000    2.83563600   -0.46438600
 C                  4.78077700    3.35276100    1.43484700
 H                  4.58222400    1.30901400    2.00166200
 C                  3.37479300    4.11591800   -0.37509200
 H                  2.04713700    2.65707000   -1.19369100
 C                  4.35961900    4.38198600    0.58256600
 H                  5.53696900    3.57174700    2.18104300
 H                  3.01731900    4.88953900   -1.04244400
 C                  3.62247400   -0.64179600   -1.12434000
 C                  3.46483800   -2.00045600   -1.44942600
 C                  4.64930900    0.06017700   -1.75694800
 C                  4.30069300   -2.62481000   -2.35954700
 H                  2.68139900   -2.58505700   -0.98383400
 C                  5.49555400   -0.55247100   -2.68515400
 H                  4.81020100    1.10795700   -1.53382400
 C                  5.32603800   -1.90450100   -2.99122900
 H                  4.17643300   -3.67483300   -2.60158700
 H                  6.27853200    0.03392000   -3.14880200
 O                  4.29538900   -3.07137300    4.93013300
 O                  4.95514600    5.59023700    0.76667100
 O                  6.09144700   -2.60532000   -3.86988900
 C                  3.40009500   -3.43246300    5.98199900
 C                  4.56280200    6.67991100   -0.06736800
 C                  7.15057300   -1.92693400   -4.54425900
 H                  7.61681900   -2.67166600   -5.18540600
 H                  6.76900700   -1.10613500   -5.15814700
 H                  7.89018100   -1.54218000   -3.83644300
 H                  3.50248200    6.91554100    0.05974600
 H                  5.16275200    7.52818400    0.25440200
 H                  4.76810700    6.46798300   -1.12050400
 H                  3.99720800   -3.99383700    6.69702000
 H                  2.98453700   -2.54688000    6.47062600
 H                  2.58726700   -4.06354900    5.61198000
 C                 -0.61519800   -2.27325200   -1.99990100
 N                  0.24960800   -1.13784800   -1.86101300
 C                 -0.91714300   -2.56207500   -3.28933600
 C                  0.35648300   -0.54200000   -3.23427100
 C                 -0.50039200    0.41704900   -2.53628600
 H                 -1.56717300    0.27533500   -2.59741900
 H                 -0.13496500    1.41825600   -2.33421700
 C                 -1.56808600   -3.77279800   -3.88091600
 H                 -2.60621100   -3.57382100   -4.17542900
 H                 -1.57705800   -4.62675800   -3.20291800
 H                 -1.04167100   -4.07149200   -4.79410700
 C                 -0.92283000   -3.11215400   -0.81956900
 C                 -2.10598400   -3.86772700   -0.74713300
 C                 -0.00948700   -3.23296700    0.24048800
 C                 -2.35378600   -4.72257200    0.32523400
 H                 -2.84932200   -3.77953200   -1.52860600
 C                 -0.25335800   -4.08970400    1.31018700
 H                  0.89931800   -2.64897900    0.22360800
 C                 -1.42585000   -4.84320600    1.35789400
 H                 -3.27867300   -5.28976900    0.35386900
 H                  0.47682800   -4.16560100    2.10943500
 H                 -1.61654400   -5.51086600    2.19173800
 C                  1.69951000   -0.03559400   -3.71340600
 H                  1.55286600    0.47213200   -4.67257300
 H                  2.40541000   -0.85324600   -3.86452800
 H                  2.14259500    0.67702800   -3.02069500
 C                 -0.32422000   -1.51965200   -4.20086800
 H                  0.41109400   -1.97830000   -4.87642600
 H                 -1.06532200   -1.03073600   -4.84344800
 P                 -2.32623100    0.64978000    0.15218900
 C                 -3.56970100    0.33401200   -1.19493200
 C                 -4.05771200   -0.95727100   -1.41746000
 C                 -4.00478000    1.34938700   -2.06347900
 C                 -4.94950000   -1.24117700   -2.45089100
 H                 -3.75536000   -1.76690600   -0.76516100
 C                 -4.88625100    1.08196600   -3.10118700
 H                 -3.66138400    2.36784000   -1.92781500
 C                 -5.36931000   -0.21674900   -3.30629100
 H                 -5.30807600   -2.25533600   -2.57284200
 H                 -5.22127200    1.87336700   -3.76295400
 C                 -2.64456000    2.44552500    0.48657900
 C                 -3.63902700    2.90762500    1.36064300
 C                 -1.88731000    3.40012200   -0.19744300
 C                 -3.86812800    4.26524100    1.53479600
 H                 -4.23951600    2.20802700    1.92876700
 C                 -2.11247900    4.76764200   -0.04419500
 H                 -1.08591700    3.07899000   -0.85294200
 C                 -3.11156400    5.20978500    0.82916000
 H                 -4.63272500    4.61660200    2.21933300
 H                 -1.49868700    5.46802400   -0.59590100
 C                 -3.09829900   -0.24533900    1.57149800
 C                 -2.28682400   -0.86781800    2.52240000
 C                 -4.49256400   -0.32805900    1.74755700
 C                 -2.82350800   -1.53857300    3.62172400
 H                 -1.21202500   -0.83018600    2.40428400
 C                 -5.04102900   -0.99053100    2.83353800
 H                 -5.16214000    0.11916400    1.02230700
 C                 -4.21022200   -1.60049000    3.78549900
 H                 -2.15355100   -2.00783000    4.33051700
 H                 -6.11595600   -1.05166400    2.96448700
 O                 -4.84308900   -2.22506700    4.81195700
 O                 -3.41535500    6.51436900    1.06425900
 O                 -6.23346200   -0.37646600   -4.34297900
 C                 -2.66987400    7.52295600    0.38350400
 H                 -2.78851700    7.44148000   -0.70071100
 H                 -3.08063300    8.47172600    0.72153600
 H                 -1.60814900    7.47424900    0.64119000
 C                 -4.05384500   -2.87255300    5.81027300
 H                 -3.40276000   -2.16042100    6.32465800
 H                 -4.76329000   -3.29239300    6.51971700
 H                 -3.45114300   -3.67659900    5.37903000
 C                 -6.76439300   -1.67695700   -4.59705700
 H                 -7.34381900   -2.04257800   -3.74470600
 H                 -7.41940400   -1.56457900   -5.45804000
 H                 -5.97050300   -2.39052100   -4.83481800
 
 
54    
Co-s   SCF Done:  E(RM06) =  -3367.95491017
 Co                 0.08119500   -0.06640700    0.87488000
 P                 -1.20217200    0.02473100   -0.87028400
 P                  1.81498800   -0.05526400   -0.48614000
 C                 -0.14763200    0.34838300   -2.38079600
 H                  0.01342400    1.42694200   -2.44342700
 H                 -0.65657200    0.04289000   -3.29661700
 C                 -2.47653700    1.35739200   -0.91519400
 C                 -3.84941100    1.08686700   -0.88130900
 C                 -2.04992100    2.69435900   -0.90349300
 C                 -4.77585500    2.12950300   -0.85496700
 H                 -4.20316400    0.06274000   -0.87628900
 C                 -2.97636600    3.73317200   -0.88425600
 H                 -0.99079000    2.93160900   -0.89874000
 C                 -4.34328000    3.45337300   -0.86081600
 H                 -5.83668700    1.90270500   -0.83045900
 H                 -2.63023000    4.76149300   -0.88157900
 H                 -5.06482900    4.26335100   -0.84228000
 C                 -2.10740700   -1.52669500   -1.28977500
 C                 -2.76081300   -1.69494200   -2.51988400
 C                 -2.12670200   -2.57613100   -0.36318900
 C                 -3.41490600   -2.88843700   -2.81446600
 H                 -2.77234200   -0.89409800   -3.25164900
 C                 -2.78456200   -3.77014000   -0.65852900
 H                 -1.62511700   -2.45267700    0.59031000
 C                 -3.42762000   -3.92861000   -1.88415000
 H                 -3.91577100   -3.00577000   -3.76974800
 H                 -2.79121000   -4.57483600    0.06921500
 H                 -3.93741400   -4.85794200   -2.11584700
 C                  2.71110500    1.55446300   -0.56717700
 C                  2.78352200    2.31354800    0.61066700
 C                  3.30988500    2.05564100   -1.73053200
 C                  3.44925800    3.53672800    0.62753400
 H                  2.30925100    1.94900900    1.51670800
 C                  3.96631600    3.28611300   -1.71508800
 H                  3.27245300    1.49584000   -2.65804200
 C                  4.04016000    4.02683300   -0.53692300
 H                  3.49814700    4.11039800    1.54706900
 H                  4.42090600    3.66291500   -2.62532900
 H                  4.55209900    4.98329900   -0.52672600
 C                  3.12439400   -1.32429800   -0.21413700
 C                  4.47635900   -1.11675100   -0.51449900
 C                  2.72514300   -2.56150200    0.31205800
 C                  5.40759000   -2.13252800   -0.30397500
 H                  4.80862500   -0.16248300   -0.90717500
 C                  3.65685300   -3.57697500    0.51605000
 H                  1.68225200   -2.72467000    0.56638300
 C                  5.00018300   -3.36379500    0.20818700
 H                  6.45262400   -1.96021900   -0.53980400
 H                  3.33483600   -4.53005800    0.92246400
 H                  5.72755400   -4.15195200    0.37226600
 C                  1.18719600   -0.38513300   -2.20607000
 H                  1.04488400   -1.46723700   -2.26948700
 H                  1.90585300   -0.11246000   -2.98058400
 I                 -1.35028300   -0.05340400    3.00381800
 
54    
Co-t   SCF Done:  E(UM06) =  -3367.99081058
 Co                -0.06979000   -0.18665500    1.03094100
 P                 -1.54900900    0.09912400   -0.78348500
 P                  1.75039100    0.03986400   -0.60906100
 C                 -0.48280800    0.62339500   -2.23190500
 H                 -0.31368800    1.69822500   -2.12736800
 H                 -1.00717300    0.47830900   -3.17867200
 C                 -2.84868900    1.40706000   -0.72719400
 C                 -4.21096000    1.14997500   -0.92093700
 C                 -2.44926100    2.70948700   -0.38663100
 C                 -5.14945800    2.17518900   -0.79621400
 H                 -4.54744200    0.15049900   -1.17009100
 C                 -3.38634500    3.73228900   -0.27189900
 H                 -1.40187800    2.92972100   -0.20267300
 C                 -4.74118600    3.46788800   -0.47673700
 H                 -6.20157900    1.95875100   -0.95052000
 H                 -3.05897300    4.73423000   -0.01429600
 H                 -5.47234100    4.26371400   -0.38129500
 C                 -2.39475800   -1.42218100   -1.38802000
 C                 -2.95475800   -1.52879400   -2.66988000
 C                 -2.46792800   -2.52439200   -0.52614200
 C                 -3.57015800   -2.70995700   -3.07700100
 H                 -2.92215900   -0.68949800   -3.35626500
 C                 -3.08717500   -3.70594900   -0.93304200
 H                 -2.03732700   -2.45943700    0.46767300
 C                 -3.63757400   -3.80071300   -2.20917100
 H                 -3.99828500   -2.77832700   -4.07159000
 H                 -3.13505100   -4.55038200   -0.25358900
 H                 -4.11704000   -4.72007000   -2.52855700
 C                  2.51780400    1.71431500   -0.65023900
 C                  2.91899800    2.26604400    0.57620100
 C                  2.71609600    2.45763400   -1.82123100
 C                  3.52300700    3.51972900    0.62749700
 H                  2.75399200    1.71268700    1.49537800
 C                  3.31027800    3.71834400   -1.76658900
 H                  2.41111700    2.06638600   -2.78479000
 C                  3.71849900    4.24966000   -0.54485500
 H                  3.83163000    3.92983700    1.58328900
 H                  3.45421800    4.28297200   -2.68181700
 H                  4.18150100    5.22998100   -0.50537100
 C                  3.15344700   -1.14080400   -0.78445100
 C                  4.28331100   -0.86900900   -1.56727900
 C                  3.06243600   -2.37117900   -0.12082100
 C                  5.29803600   -1.81579700   -1.68849800
 H                  4.37873100    0.08325100   -2.07784900
 C                  4.07610500   -3.31987900   -0.24885300
 H                  2.19819400   -2.58386400    0.50105100
 C                  5.19516400   -3.04280700   -1.03211200
 H                  6.16993900   -1.59500400   -2.29550100
 H                  3.99410900   -4.26952500    0.26934700
 H                  5.98765900   -3.77768400   -1.12745100
 C                  0.85154600   -0.13839600   -2.23426500
 H                  0.67675400   -1.21190400   -2.35243700
 H                  1.47431700    0.16431000   -3.07938100
 I                 -0.45089900   -0.58300400    3.60560700

86    
1-Co-1-s   SCF Done:  E(RM06) =  -4115.33297650
 Co                -0.76475400   -0.10141500   -0.18587900
 P                 -2.80730400   -0.36511100    0.60533200
 P                 -0.62022200    1.71824000    1.10100100
 C                 -2.89371100    0.54228300    2.23388400
 H                 -2.36603600   -0.06348700    2.97360000
 H                 -3.92376500    0.64716000    2.58184100
 C                 -3.42592900   -2.04794600    1.05257300
 C                 -4.50546700   -2.65498600    0.40078900
 C                 -2.75509100   -2.76575800    2.05386200
 C                 -4.91330100   -3.94220500    0.75121300
 H                 -5.03483900   -2.12816000   -0.38420000
 C                 -3.16589900   -4.04872300    2.40609300
 H                 -1.89935100   -2.33261700    2.56100700
 C                 -4.24820700   -4.64141700    1.75575600
 H                 -5.75289600   -4.39653300    0.23519200
 H                 -2.63711800   -4.58629100    3.18643500
 H                 -4.56728300   -5.64190500    2.02851100
 C                 -4.17740700    0.40777000   -0.36244000
 C                 -5.46822700    0.56926400    0.16275300
 C                 -3.90410100    0.89010200   -1.64786700
 C                 -6.46095100    1.19931700   -0.58335100
 H                 -5.70861000    0.19856100    1.15359200
 C                 -4.89980200    1.51879300   -2.39589000
 H                 -2.90699000    0.76922100   -2.05667400
 C                 -6.17825200    1.67504500   -1.86469300
 H                 -7.45498900    1.31870300   -0.16498500
 H                 -4.67395500    1.88725200   -3.39114700
 H                 -6.95285000    2.16610700   -2.44455400
 C                  0.68676800    1.70667800    2.41597800
 C                  1.52841600    2.79208500    2.68830700
 C                  0.83744000    0.53393800    3.17133600
 C                  2.48214400    2.71301600    3.70408800
 H                  1.44803700    3.70467600    2.11034800
 C                  1.78033300    0.46035900    4.19317000
 H                  0.22904800   -0.33518400    2.94579800
 C                  2.60622700    1.55165800    4.46322000
 H                  3.12761400    3.56326500    3.89948100
 H                  1.87811300   -0.45365200    4.76980600
 H                  3.34676000    1.49287100    5.25408900
 C                 -0.46175400    3.37788900    0.30584500
 C                 -0.80315500    4.55688200    0.98705200
 C                 -0.03063500    3.46732000   -1.02293000
 C                 -0.70964900    5.79376300    0.35357700
 H                 -1.14541100    4.51795700    2.01557100
 C                  0.06710500    4.70784200   -1.65429800
 H                  0.22122100    2.56837800   -1.57257400
 C                 -0.27164200    5.87219100   -0.96882300
 H                 -0.97984600    6.69581000    0.89280300
 H                  0.40269300    4.76000100   -2.68492600
 H                 -0.20008400    6.83618900   -1.46170700
 C                 -2.21977100    1.90516900    2.06582100
 H                 -2.85890800    2.56957600    1.47943400
 H                 -2.04169200    2.38466600    3.03007100
 I                 -0.97713300   -2.11503900   -1.93384800
 C                  3.24578100   -1.07451600   -0.45801600
 O                  1.30766500   -0.02498700   -0.68433200
 N                  2.14662000   -0.84959100    0.16760200
 C                  3.27816900   -0.50251900   -1.86101900
 C                  1.95199900    0.23708400   -1.88164700
 O                  1.46147500    0.92415100   -2.72678600
 C                  4.83199400    1.61957000   -1.46845100
 C                  4.22343500    2.02631000   -0.35344200
 H                  3.37996800    1.51711900    0.09548100
 H                  4.56024700    2.91667300    0.16778300
 C                  3.17875800   -1.68027100   -2.87223200
 H                  3.05565200   -1.28173900   -3.88047600
 H                  2.32989900   -2.32758700   -2.64988300
 H                  4.09396800   -2.27242800   -2.83611500
 C                  4.24135900   -1.96110600    0.17603100
 C                  3.79937300   -3.10194600    0.86450700
 C                  5.61443300   -1.68379100    0.11980300
 C                  4.71491200   -3.94805000    1.48106100
 H                  2.74008200   -3.32758800    0.89634100
 C                  6.52526800   -2.53267000    0.74262300
 H                  5.97436800   -0.79196800   -0.37609700
 C                  6.07957000   -3.66593800    1.42128900
 H                  4.36292500   -4.83096500    2.00334200
 H                  7.58459000   -2.30442800    0.69987900
 H                  6.79311400   -4.32770600    1.90034200
 C                  6.00391300    2.37444100   -2.04732500
 H                  5.78790400    2.71421000   -3.06626600
 H                  6.89159900    1.73568000   -2.11382100
 H                  6.25813700    3.24751300   -1.44462900
 C                  4.44643800    0.41033600   -2.29183800
 H                  5.33069400   -0.21869900   -2.43687800
 H                  4.19251900    0.75796200   -3.30064300

86    
1-Co-1-t   SCF Done:  E(UM06) =  -4115.36519350
 Co                 0.85025500    0.12580400   -0.59509600
 P                  1.23554600    1.85766400    1.01568100
 P                  2.45171800   -1.16310600    0.58041100
 C                  2.29802800    1.03251000    2.31349100
 H                  1.64708800    0.44541100    2.96572700
 H                  2.79899600    1.77609700    2.93764000
 C                 -0.07875400    2.74094100    1.96395500
 C                 -0.81954500    3.72833600    1.29508300
 C                 -0.42241600    2.42357200    3.28377500
 C                 -1.86407500    4.38905600    1.93420300
 H                 -0.57631800    3.98740200    0.26929300
 C                 -1.47347200    3.08463900    3.92180000
 H                  0.12508300    1.66689100    3.83282700
 C                 -2.19552300    4.06850400    3.25162500
 H                 -2.42129300    5.15356000    1.40266300
 H                 -1.72169500    2.82898000    4.94679500
 H                 -3.01094100    4.58246700    3.74964800
 C                  2.33181200    3.24404800    0.46729500
 C                  2.73504600    4.25928900    1.34804700
 C                  2.79793900    3.26734600   -0.85160500
 C                  3.58762300    5.27121200    0.91661100
 H                  2.37724600    4.26792700    2.37266100
 C                  3.65454500    4.28188800   -1.28314600
 H                  2.48198800    2.49644500   -1.54653900
 C                  4.05061500    5.28360800   -0.40082700
 H                  3.89025000    6.05168200    1.60722800
 H                  4.00681600    4.28804300   -2.30947600
 H                  4.71418300    6.07409800   -0.73581900
 C                  1.95947700   -2.42991900    1.83648400
 C                  2.83510100   -3.42243800    2.29790100
 C                  0.66653300   -2.36599900    2.37326700
 C                  2.42713000   -4.32449400    3.27834300
 H                  3.83685600   -3.49926300    1.88975900
 C                  0.26303500   -3.26355000    3.36150500
 H                 -0.03119500   -1.61963500    2.01031900
 C                  1.14186800   -4.24529900    3.81485800
 H                  3.11435200   -5.09052300    3.62283400
 H                 -0.74117500   -3.20027900    3.76749200
 H                  0.82620400   -4.94935800    4.57773200
 C                  3.80214000   -1.97458400   -0.37299800
 C                  5.16104700   -1.86165200   -0.05039400
 C                  3.43492100   -2.72936700   -1.49694200
 C                  6.12847800   -2.49252600   -0.83286700
 H                  5.47782300   -1.28395200    0.81032200
 C                  4.40087300   -3.36902300   -2.26954000
 H                  2.38816300   -2.81047400   -1.77298100
 C                  5.75117500   -3.24935200   -1.94040600
 H                  7.17727400   -2.39257100   -0.57304300
 H                  4.09987100   -3.95129600   -3.13416300
 H                  6.50523000   -3.73977600   -2.54705900
 C                  3.32465000    0.10602800    1.64342800
 H                  3.98848900    0.68030400    0.99099800
 H                  3.94430500   -0.37780700    2.40192300
 I                  0.47349900    0.53120100   -3.22348700
 C                 -3.46922200   -0.38540300   -0.50043300
 O                 -1.31958000   -0.78435600   -0.13334700
 N                 -2.40640300    0.16351000   -0.02940200
 C                 -3.23279100   -1.77238100   -1.06444400
 C                 -1.76884600   -1.95940500   -0.69996900
 O                 -1.04684500   -2.89835700   -0.86555900
 C                 -4.26186300   -3.25758300    0.88907600
 C                 -3.73910200   -2.54636100    1.88892100
 H                 -3.13513800   -1.65979700    1.74439400
 H                 -3.90641600   -2.83514500    2.92161500
 C                 -3.32474400   -1.69488900   -2.61470200
 H                 -3.01165900   -2.64817000   -3.04364700
 H                 -2.68448600   -0.90816100   -3.01618800
 H                 -4.35486500   -1.49555200   -2.91285400
 C                 -4.70209600    0.42175800   -0.58133100
 C                 -4.60742200    1.78170500   -0.91805000
 C                 -5.96381300   -0.13259600   -0.32356200
 C                 -5.75232200    2.56706900   -0.99656900
 H                 -3.63585300    2.20985500   -1.13395600
 C                 -7.10595600    0.65991300   -0.40014300
 H                 -6.05842300   -1.17025500   -0.03199200
 C                 -7.00422300    2.00833500   -0.73859000
 H                 -5.66792700    3.61406300   -1.26663500
 H                 -8.07590400    0.22191200   -0.19164600
 H                 -7.89702300    2.62093200   -0.80367100
 C                 -5.10163800   -4.48434300    1.14981800
 H                 -4.65727000   -5.37091500    0.68438300
 H                 -6.10356400   -4.37599000    0.71988700
 H                 -5.20948500   -4.67890700    2.21785500
 C                 -4.09079200   -2.96344500   -0.58529400
 H                 -5.07950800   -2.88088800   -1.04857800
 H                 -3.64571100   -3.84981700   -1.05366000
 
86    
1-Co-s   SCF Done:  E(RM06) =  -4115.36290232
 Co                -0.49228000    0.04964100   -0.25583600
 P                 -2.54040000    0.17678400    0.64628900
 P                  0.13278900    1.54982300    1.26254500
 C                 -2.37365200    1.03654800    2.29650200
 H                 -1.96586700    0.32468900    3.01827600
 H                 -3.34290900    1.36828800    2.67353400
 C                 -3.39584100   -1.40794000    1.05113800
 C                 -4.53022500   -1.84633600    0.35736200
 C                 -2.84364200   -2.24254200    2.03431300
 C                 -5.10942200   -3.08017900    0.65195200
 H                 -4.96814000   -1.22667600   -0.41578100
 C                 -3.42577800   -3.47319800    2.33013800
 H                 -1.94937600   -1.94313100    2.57047600
 C                 -4.56220100   -3.89528600    1.64056200
 H                 -5.98972300   -3.40245900    0.10541600
 H                 -2.98856400   -4.10260200    3.09829200
 H                 -5.01483100   -4.85418400    1.87020900
 C                 -3.82241800    1.23190300   -0.16697500
 C                 -5.08356300    1.43840800    0.41255300
 C                 -3.50330200    1.91168700   -1.34809000
 C                 -6.00391400    2.29804200   -0.18176100
 H                 -5.35731200    0.92481900    1.32828600
 C                 -4.42390800    2.77702400   -1.94033000
 H                 -2.53413400    1.75425000   -1.80616600
 C                 -5.67539900    2.96983300   -1.36015500
 H                 -6.97682600    2.44439600    0.27589300
 H                 -4.16081900    3.29722000   -2.85553000
 H                 -6.39281000    3.64064000   -1.82134800
 C                  1.16680800    1.11429300    2.73448400
 C                  1.47639600    2.06455200    3.72096000
 C                  1.59254500   -0.20527200    2.91368600
 C                  2.19992900    1.70026600    4.85259500
 H                  1.16029200    3.09605300    3.60669200
 C                  2.31819500   -0.57079600    4.04907800
 H                  1.35140000   -0.95054500    2.16596800
 C                  2.62303100    0.38015600    5.01885400
 H                  2.43290700    2.44598500    5.60558300
 H                  2.64103400   -1.59907800    4.17224000
 H                  3.18602800    0.09725200    5.90219600
 C                  0.93333600    3.06482000    0.56467600
 C                  0.19356100    3.86353800   -0.32147200
 C                  2.26953000    3.40166000    0.81189500
 C                  0.76871000    4.97904700   -0.92388000
 H                 -0.83676800    3.61644500   -0.55406100
 C                  2.84718200    4.51573100    0.20167300
 H                  2.86713800    2.80287400    1.48839200
 C                  2.09924100    5.30907800   -0.66450800
 H                  0.17761700    5.58761800   -1.60035700
 H                  3.88387500    4.76104800    0.40794300
 H                  2.54847800    6.17628700   -1.13692300
 C                 -1.41042600    2.20794300    2.09231600
 H                 -1.85636100    2.96113800    1.43898300
 H                 -1.16232600    2.69936400    3.03449700
 I                 -1.47967300   -1.22134300   -2.46525800
 C                  2.20766700   -1.18382100   -0.97454200
 O                  1.60351000    0.69590000   -2.01883200
 N                  1.29513000   -0.26561700   -0.99015400
 C                  3.17954800   -1.03058000   -2.13018800
 C                  2.73862100    0.31353300   -2.67992400
 O                  3.20681400    0.97705700   -3.56053100
 C                  5.37380800   -0.20204100   -0.88864100
 C                  4.74546800    0.68470800   -0.11666100
 H                  3.67523200    0.84622000   -0.14280400
 H                  5.29420400    1.30110400    0.58820000
 C                  2.79842700   -2.10184000   -3.19707400
 H                  3.35655700   -1.91094700   -4.11510000
 H                  1.73084700   -2.07793300   -3.42199100
 H                  3.05405800   -3.09588400   -2.82806600
 C                  2.13990000   -2.32528200   -0.04565400
 C                  0.90886900   -2.93750200    0.23977100
 C                  3.30293500   -2.81572900    0.56997900
 C                  0.84664700   -4.01601200    1.11789500
 H                  0.00927200   -2.57756400   -0.24420700
 C                  3.23190900   -3.88899900    1.45267700
 H                  4.25664300   -2.33564000    0.39855800
 C                  2.00568900   -4.49464100    1.72654000
 H                 -0.11070300   -4.48283000    1.32234800
 H                  4.13660700   -4.24869800    1.93042300
 H                  1.95503000   -5.33474900    2.41094100
 C                  6.86865200   -0.39425000   -0.81844300
 H                  7.33605000   -0.20431600   -1.79083600
 H                  7.12121700   -1.42526000   -0.54698200
 H                  7.32585200    0.27166100   -0.08510600
 C                  4.70357300   -1.09459500   -1.90867500
 H                  4.97861900   -2.13555600   -1.70924000
 H                  5.14947900   -0.87745300   -2.88685900
 
86    
1-Co-t   SCF Done:  E(UM06) =  -4115.38589808
 Co                 0.56855700    0.24356700   -0.57627200
 P                  0.07052100    1.79416400    1.20221500
 P                  2.34813900   -0.59178200    0.83937700
 C                  1.29853300    1.35263000    2.54949100
 H                  0.85763100    0.55889600    3.15648200
 H                  1.45622200    2.20563100    3.21238600
 C                 -1.53537100    1.85112600    2.11965900
 C                 -2.42403500    2.92655200    1.98853600
 C                 -1.92705700    0.75209100    2.89973900
 C                 -3.65767400    2.91407800    2.63904700
 H                 -2.15404700    3.78529100    1.38537800
 C                 -3.15726600    0.74343000    3.55282000
 H                 -1.27586100   -0.10858400    3.00593900
 C                 -4.02715700    1.82616200    3.42687600
 H                 -4.32817000    3.76025900    2.52955800
 H                 -3.43498000   -0.11185400    4.16014300
 H                 -4.98501300    1.81951700    3.93626100
 C                  0.45428800    3.57298100    0.88116200
 C                  0.54604500    4.51908200    1.91403200
 C                  0.67579300    3.98893000   -0.43661100
 C                  0.85603900    5.84635400    1.63250600
 H                  0.36488600    4.22717100    2.94323400
 C                  0.98455100    5.32073300   -0.71873600
 H                  0.61651000    3.26718900   -1.24432300
 C                  1.07635000    6.25004100    0.31408900
 H                  0.92456900    6.56672200    2.44111900
 H                  1.15541800    5.62727800   -1.74549100
 H                  1.31819400    7.28517800    0.09637100
 C                  2.13205800   -1.94652000    2.08430500
 C                  3.20229700   -2.44462400    2.84147800
 C                  0.85158500   -2.46629400    2.30263500
 C                  2.99090700   -3.43612800    3.79631200
 H                  4.20631800   -2.06549700    2.68200300
 C                  0.63848600   -3.45670100    3.26213600
 H                  0.02195400   -2.09948500    1.71022300
 C                  1.70812300   -3.94343800    4.00982300
 H                  3.82849000   -3.81482100    4.37314100
 H                 -0.36058200   -3.85045900    3.41742700
 H                  1.54624900   -4.71767500    4.75255800
 C                  4.01030600   -0.96377900    0.13190300
 C                  5.16011200   -0.21561700    0.41229000
 C                  4.10822300   -2.04054800   -0.76290400
 C                  6.37957100   -0.53979700   -0.18494300
 H                  5.12082600    0.62258000    1.09789900
 C                  5.32660800   -2.36891100   -1.34958300
 H                  3.22591000   -2.62514200   -1.00525700
 C                  6.46693100   -1.61646800   -1.06369000
 H                  7.26090600    0.05106500    0.04256200
 H                  5.38459500   -3.20691700   -2.03645600
 H                  7.41584900   -1.86782600   -1.52580500
 C                  2.63134300    0.88356200    1.95050700
 H                  3.07324400    1.67914800    1.34381500
 H                  3.33962600    0.64332700    2.74719100
 I                  1.48796500    0.76433400   -3.09755600
 C                 -2.22978000   -1.18247300   -1.21235800
 O                 -0.44501800   -2.47970600   -0.92013700
 N                 -0.99649400   -1.15140400   -0.82720500
 C                 -2.64241000   -2.54906300   -1.72056300
 C                 -1.39796400   -3.34992600   -1.38486400
 O                 -1.17366500   -4.51951200   -1.50788100
 C                 -4.13211000   -3.42967700    0.29276300
 C                 -3.28227900   -3.05942800    1.25138100
 H                 -2.35061000   -2.54278000    1.05719800
 H                 -3.49441100   -3.26419100    2.29568600
 C                 -2.73587300   -2.47466100   -3.27344700
 H                 -2.86319000   -3.48109100   -3.67515600
 H                 -1.83695000   -2.03739000   -3.71082100
 H                 -3.59338200   -1.86654200   -3.56372100
 C                 -3.04682000    0.04314700   -1.30871600
 C                 -2.57844800    1.14246600   -2.04307200
 C                 -4.31823500    0.10207900   -0.71850400
 C                 -3.37137800    2.27814600   -2.18565700
 H                 -1.60570800    1.09673900   -2.51953200
 C                 -5.10144000    1.24374800   -0.85908400
 H                 -4.68126500   -0.72669100   -0.12358000
 C                 -4.63326500    2.33135700   -1.59624800
 H                 -3.00219200    3.11928800   -2.76239300
 H                 -6.07832000    1.28333800   -0.38987400
 H                 -5.25003300    3.21642700   -1.70983200
 C                 -5.42074700   -4.14615400    0.61382300
 H                 -5.45255700   -5.12957300    0.13222700
 H                 -6.28643500   -3.58803700    0.24063900
 H                 -5.54523600   -4.28911600    1.68814700
 C                 -3.93270200   -3.20402200   -1.18953200
 H                 -4.78541400   -2.63775300   -1.57988800
 H                 -3.99802400   -4.17858100   -1.68772700
 
86    
2-Co-1-s   SCF Done:  E(RM06) =  -4115.40663188
 Co                -0.28405500    0.16000200    0.74623900
 P                 -1.57894300   -1.25704800   -0.77004600
 P                  0.13452700    1.50765400   -1.10541900
 C                 -1.87448500   -0.09622400   -2.19331200
 H                 -2.60956900    0.64991000   -1.89026600
 H                 -2.27104500   -0.64446700   -3.04993800
 C                 -3.23461300   -1.90997300   -0.29373100
 C                 -3.30228700   -3.05424300    0.51322700
 C                 -4.42809700   -1.31464700   -0.71895800
 C                 -4.53195600   -3.58242800    0.89783600
 H                 -2.39503300   -3.55775700    0.82633700
 C                 -5.65837300   -1.85122600   -0.34274400
 H                 -4.41354500   -0.43153800   -1.34396700
 C                 -5.71483000   -2.98068000    0.47105400
 H                 -4.56317100   -4.46743300    1.52433000
 H                 -6.57328400   -1.38042300   -0.68649700
 H                 -6.67377800   -3.39312600    0.76614800
 C                 -0.84518700   -2.71809600   -1.64931400
 C                  0.53078800   -2.97512500   -1.62097000
 C                 -1.67695900   -3.55106300   -2.41694600
 C                  1.06152000   -4.04800000   -2.34039100
 H                  1.17634500   -2.32833900   -1.03975500
 C                 -1.14156300   -4.61702900   -3.13346300
 H                 -2.74623000   -3.37728600   -2.45324100
 C                  0.23035800   -4.87040400   -3.09515700
 H                  2.12958400   -4.23667900   -2.30656400
 H                 -1.79758300   -5.25134300   -3.72051500
 H                  0.64517700   -5.70403800   -3.65231000
 C                 -0.61034300    3.19165700   -1.13123000
 C                 -0.36088700    4.05314500   -0.05281400
 C                 -1.35269100    3.65877100   -2.22095500
 C                 -0.83343300    5.36104300   -0.07739100
 H                  0.17545700    3.69212700    0.81592500
 C                 -1.83472300    4.96822900   -2.23405300
 H                 -1.57101700    3.02018300   -3.06790900
 C                 -1.57254900    5.82296900   -1.16706000
 H                 -0.63352000    6.01744900    0.76299000
 H                 -2.41327100    5.31520000   -3.08363800
 H                 -1.94436400    6.84205800   -1.18108400
 C                  1.88830800    1.87941300   -1.53458700
 C                  2.40217300    1.58674800   -2.80443900
 C                  2.70469700    2.54725100   -0.61021100
 C                  3.70455600    1.95621800   -3.14213500
 H                  1.80159600    1.07995800   -3.54890300
 C                  4.00405500    2.91180700   -0.95186000
 H                  2.33771600    2.78726400    0.37916800
 C                  4.50853300    2.61884900   -2.21865000
 H                  4.08445500    1.72416200   -4.13131700
 H                  4.62267700    3.42526300   -0.22366300
 H                  5.52064400    2.90588000   -2.48282400
 C                 -0.54061100    0.56803700   -2.54984500
 H                  0.20147500   -0.19505700   -2.79569600
 H                 -0.63768500    1.20528000   -3.42946500
 I                 -2.76144100    1.49148500    1.21231500
 C                  2.34513700   -0.69171000    1.12757900
 O                  0.56621800    1.46494800    1.82347100
 N                  1.36493700   -0.67118200    0.32479100
 C                  2.32159000   -0.07956900    2.54640700
 C                  1.67588200    1.33182500    2.47615700
 O                  2.19753800    2.27851300    3.06091900
 C                  0.18928300   -1.58222000    2.84322500
 C                 -0.98933100   -0.91641500    2.79730000
 H                 -1.10832600    0.03579300    3.29367800
 H                 -1.89642700   -1.40022900    2.45771900
 C                  3.70497200    0.05187900    3.19635000
 H                  3.61042800    0.54549000    4.16330000
 H                  4.37225000    0.65870300    2.58184800
 H                  4.17443600   -0.91886600    3.35017900
 C                  3.57860100   -1.42550100    0.64981200
 C                  4.20736700   -1.02281100   -0.53394600
 C                  4.07093400   -2.55357600    1.32087200
 C                  5.31081500   -1.71770700   -1.02634400
 H                  3.82864400   -0.15993000   -1.06655000
 C                  5.16440700   -3.25779400    0.82028500
 H                  3.59393500   -2.90201900    2.23005000
 C                  5.79223900   -2.83917300   -0.35255800
 H                  5.79122300   -1.38334700   -1.94028000
 H                  5.52421300   -4.13505500    1.34801800
 H                  6.64754000   -3.38412500   -0.73827300
 C                  0.32144100   -3.00430200    2.38252100
 H                  0.59655400   -3.62938300    3.23919700
 H                  1.11406800   -3.12137900    1.64058600
 H                 -0.60532900   -3.39624400    1.96786200
 C                  1.41344700   -0.97201100    3.48027200
 H                  2.04070500   -1.77755700    3.86924100
 H                  1.12245100   -0.36186600    4.33926100
 
86    
2-Co-1-t   SCF Done:  E(UM06) =  -4115.39299083
 Co                -0.28405500    0.16000200    0.74623900
 P                 -1.57894300   -1.25704800   -0.77004600
 P                  0.13452700    1.50765400   -1.10541900
 C                 -1.87448500   -0.09622400   -2.19331200
 H                 -2.60956900    0.64991000   -1.89026600
 H                 -2.27104500   -0.64446700   -3.04993800
 C                 -3.23461300   -1.90997300   -0.29373100
 C                 -3.30228700   -3.05424300    0.51322700
 C                 -4.42809700   -1.31464700   -0.71895800
 C                 -4.53195600   -3.58242800    0.89783600
 H                 -2.39503300   -3.55775700    0.82633700
 C                 -5.65837300   -1.85122600   -0.34274400
 H                 -4.41354500   -0.43153800   -1.34396700
 C                 -5.71483000   -2.98068000    0.47105400
 H                 -4.56317100   -4.46743300    1.52433000
 H                 -6.57328400   -1.38042300   -0.68649700
 H                 -6.67377800   -3.39312600    0.76614800
 C                 -0.84518700   -2.71809600   -1.64931400
 C                  0.53078800   -2.97512500   -1.62097000
 C                 -1.67695900   -3.55106300   -2.41694600
 C                  1.06152000   -4.04800000   -2.34039100
 H                  1.17634500   -2.32833900   -1.03975500
 C                 -1.14156300   -4.61702900   -3.13346300
 H                 -2.74623000   -3.37728600   -2.45324100
 C                  0.23035800   -4.87040400   -3.09515700
 H                  2.12958400   -4.23667900   -2.30656400
 H                 -1.79758300   -5.25134300   -3.72051500
 H                  0.64517700   -5.70403800   -3.65231000
 C                 -0.61034300    3.19165700   -1.13123000
 C                 -0.36088700    4.05314500   -0.05281400
 C                 -1.35269100    3.65877100   -2.22095500
 C                 -0.83343300    5.36104300   -0.07739100
 H                  0.17545700    3.69212700    0.81592500
 C                 -1.83472300    4.96822900   -2.23405300
 H                 -1.57101700    3.02018300   -3.06790900
 C                 -1.57254900    5.82296900   -1.16706000
 H                 -0.63352000    6.01744900    0.76299000
 H                 -2.41327100    5.31520000   -3.08363800
 H                 -1.94436400    6.84205800   -1.18108400
 C                  1.88830800    1.87941300   -1.53458700
 C                  2.40217300    1.58674800   -2.80443900
 C                  2.70469700    2.54725100   -0.61021100
 C                  3.70455600    1.95621800   -3.14213500
 H                  1.80159600    1.07995800   -3.54890300
 C                  4.00405500    2.91180700   -0.95186000
 H                  2.33771600    2.78726400    0.37916800
 C                  4.50853300    2.61884900   -2.21865000
 H                  4.08445500    1.72416200   -4.13131700
 H                  4.62267700    3.42526300   -0.22366300
 H                  5.52064400    2.90588000   -2.48282400
 C                 -0.54061100    0.56803700   -2.54984500
 H                  0.20147500   -0.19505700   -2.79569600
 H                 -0.63768500    1.20528000   -3.42946500
 I                 -2.76144100    1.49148500    1.21231500
 C                  2.34513700   -0.69171000    1.12757900
 O                  0.56621800    1.46494800    1.82347100
 N                  1.36493700   -0.67118200    0.32479100
 C                  2.32159000   -0.07956900    2.54640700
 C                  1.67588200    1.33182500    2.47615700
 O                  2.19753800    2.27851300    3.06091900
 C                  0.18928300   -1.58222000    2.84322500
 C                 -0.98933100   -0.91641500    2.79730000
 H                 -1.10832600    0.03579300    3.29367800
 H                 -1.89642700   -1.40022900    2.45771900
 C                  3.70497200    0.05187900    3.19635000
 H                  3.61042800    0.54549000    4.16330000
 H                  4.37225000    0.65870300    2.58184800
 H                  4.17443600   -0.91886600    3.35017900
 C                  3.57860100   -1.42550100    0.64981200
 C                  4.20736700   -1.02281100   -0.53394600
 C                  4.07093400   -2.55357600    1.32087200
 C                  5.31081500   -1.71770700   -1.02634400
 H                  3.82864400   -0.15993000   -1.06655000
 C                  5.16440700   -3.25779400    0.82028500
 H                  3.59393500   -2.90201900    2.23005000
 C                  5.79223900   -2.83917300   -0.35255800
 H                  5.79122300   -1.38334700   -1.94028000
 H                  5.52421300   -4.13505500    1.34801800
 H                  6.64754000   -3.38412500   -0.73827300
 C                  0.32144100   -3.00430200    2.38252100
 H                  0.59655400   -3.62938300    3.23919700
 H                  1.11406800   -3.12137900    1.64058600
 H                 -0.60532900   -3.39624400    1.96786200
 C                  1.41344700   -0.97201100    3.48027200
 H                  2.04070500   -1.77755700    3.86924100
 H                  1.12245100   -0.36186600    4.33926100
 
86    
2-Co-2-s   SCF Done:  E(RM06) =  -4115.39289366
 Co                -0.10467300   -0.32980200   -0.26539800
 P                  0.21137500    1.81934000    0.79542500
 P                 -2.50582400    0.03563100    0.31992300
 C                 -1.41338100    2.33560800    1.57903600
 H                 -1.82213900    3.13336300    0.96075100
 H                 -1.20648400    2.78534000    2.54980700
 C                  0.61560500    3.26748300   -0.28864300
 C                  1.93742700    3.72667900   -0.37955200
 C                 -0.36298200    3.88810900   -1.07979500
 C                  2.26830100    4.77960800   -1.22983900
 H                  2.71580500    3.26752000    0.21716300
 C                 -0.03035000    4.94338700   -1.92694800
 H                 -1.39698800    3.56417300   -1.05127800
 C                  1.28650100    5.39254900   -2.00582000
 H                  3.29662300    5.12133100   -1.28150300
 H                 -0.80465500    5.41223000   -2.52467100
 H                  1.54426800    6.21420200   -2.66534300
 C                  1.48875400    1.99981500    2.11820100
 C                  1.40096800    3.03983600    3.05447900
 C                  2.60394100    1.15371600    2.13970300
 C                  2.39801300    3.21326800    4.01170100
 H                  0.56853100    3.73419100    3.04308500
 C                  3.60455700    1.33943600    3.09353700
 H                  2.67932800    0.36287600    1.40280400
 C                  3.50184900    2.36165900    4.03470500
 H                  2.31285900    4.01823300    4.73412100
 H                  4.46451000    0.67753200    3.10077500
 H                  4.27955700    2.49953100    4.77878600
 C                 -3.65655400    0.81048300   -0.90427800
 C                 -4.09981700    0.02578100   -1.98096700
 C                 -4.08947000    2.13961500   -0.82220900
 C                 -4.95015000    0.55698000   -2.94598200
 H                 -3.79609700   -1.01330000   -2.05947500
 C                 -4.94047000    2.67168200   -1.79227900
 H                 -3.79142500    2.77187800    0.00505600
 C                 -5.37075500    1.88438300   -2.85677500
 H                 -5.28681500   -0.06788100   -3.76648300
 H                 -5.26940200    3.70197500   -1.70698400
 H                 -6.03343000    2.29835200   -3.60920900
 C                 -3.54513700   -1.36454800    0.92572000
 C                 -4.70153700   -1.11440200    1.67853800
 C                 -3.21395600   -2.68322200    0.59316400
 C                 -5.50671900   -2.16913000    2.10168700
 H                 -4.98618100   -0.10033800    1.93702100
 C                 -4.03166700   -3.73430900    1.00965700
 H                 -2.31586000   -2.87683900    0.01980800
 C                 -5.17411700   -3.48172200    1.76605800
 H                 -6.39551400   -1.96418100    2.68948000
 H                 -3.76846900   -4.75373600    0.74639100
 H                 -5.80471800   -4.30219700    2.09277100
 C                 -2.43743700    1.20680100    1.75837500
 H                 -2.16234700    0.58274400    2.60869400
 H                 -3.41975200    1.63143600    1.97480500
 I                  0.07992700   -1.50724100    2.16903000
 C                  2.29835100   -1.44676200   -1.19481100
 O                 -0.52903700   -2.06201300   -0.96130000
 N                  1.77978700   -0.60637000   -0.40574800
 C                  1.50563300   -2.20891100   -2.28228600
 C                  0.24797500   -2.84467700   -1.63231400
 O                 -0.01268800   -4.03153200   -1.81740200
 C                  0.58463500    0.18696000   -2.83234900
 C                 -0.67248700    0.43131000   -2.36251200
 H                 -1.44560900   -0.31113700   -2.48993900
 H                 -0.99774300    1.44811600   -2.18352100
 C                  2.30312300   -3.29904000   -3.00461900
 H                  1.66473200   -3.80575700   -3.72900000
 H                  2.66400300   -4.05219800   -2.30277400
 H                  3.16269700   -2.88629100   -3.53317600
 C                  3.78270900   -1.69142000   -1.04019100
 C                  4.25482500   -2.27610700    0.14114700
 C                  4.70877800   -1.30576000   -2.01724200
 C                  5.61978900   -2.48178200    0.33712800
 H                  3.54551600   -2.56925800    0.90751200
 C                  6.07474700   -1.49847900   -1.81567100
 H                  4.37094300   -0.83943300   -2.93670600
 C                  6.53449400   -2.09118800   -0.63997800
 H                  5.96781200   -2.94315800    1.25581600
 H                  6.77958000   -1.18391900   -2.57859600
 H                  7.59754100   -2.24512600   -0.48625300
 C                  1.58995300    1.27988900   -3.01339700
 H                  1.79159600    1.38100800   -4.08630900
 H                  2.54311000    1.03103100   -2.54039900
 H                  1.24516300    2.23910100   -2.63912700
 C                  0.99272700   -1.16870800   -3.35104900
 H                  1.79422000   -1.02746200   -4.07968100
 H                  0.15734000   -1.62637200   -3.88739700
 
86    
2-Co-s   SCF Done:  E(RM06) =  -4115.40461563
 Co                -0.16226000   -0.22053000   -0.50003400
 P                 -2.53418200   -0.28123700    0.47495000
 P                  0.41578700    0.92339900    1.44762500
 C                 -2.20012600    0.18493900    2.24465700
 H                 -1.85532100   -0.72868800    2.73119500
 H                 -3.12678800    0.46372200    2.75133100
 C                 -3.47828100   -1.86488700    0.68471700
 C                 -4.87980600   -1.90435800    0.64654900
 C                 -2.77639400   -3.05442100    0.93861600
 C                 -5.56125800   -3.10314700    0.85083400
 H                 -5.44847100   -1.00230900    0.45993400
 C                 -3.46415300   -4.24931700    1.14406600
 H                 -1.69474400   -3.04576900    0.97729000
 C                 -4.85677500   -4.27951700    1.09816700
 H                 -6.64584400   -3.11287000    0.81845000
 H                 -2.90535800   -5.15913300    1.33811000
 H                 -5.38910700   -5.21176900    1.25564100
 C                 -3.82362900    0.89347900   -0.11613400
 C                 -4.36818200    0.69600700   -1.39436300
 C                 -4.26682800    1.98483300    0.63872600
 C                 -5.33287000    1.56184800   -1.89889600
 H                 -4.05187600   -0.14634100   -1.99989600
 C                 -5.22724700    2.85897500    0.12809900
 H                 -3.87684400    2.17181600    1.63175600
 C                 -5.76274900    2.65089000   -1.13987500
 H                 -5.74585000    1.38820800   -2.88694200
 H                 -5.55625900    3.70054100    0.72856200
 H                 -6.51082000    3.32997000   -1.53489800
 C                  1.45319900   -0.02141300    2.65082100
 C                  2.68418500    0.48864900    3.08833400
 C                  1.00786000   -1.24392700    3.17761100
 C                  3.44439300   -0.20067400    4.03226900
 H                  3.05460900    1.42887200    2.70191300
 C                  1.76606300   -1.92374500    4.12697400
 H                  0.09023800   -1.69100100    2.82596700
 C                  2.98661100   -1.40616200    4.55780200
 H                  4.39399100    0.21194900    4.35635900
 H                  1.40343000   -2.86716700    4.52108900
 H                  3.57712400   -1.94076800    5.29432100
 C                  1.27382000    2.54511400    1.32663700
 C                  0.96038200    3.58763400    2.20912000
 C                  2.29704400    2.72741200    0.38692800
 C                  1.65287500    4.79617300    2.14396500
 H                  0.18432300    3.47534500    2.95611200
 C                  2.99022400    3.93411100    0.33315800
 H                  2.52732000    1.92298700   -0.30072100
 C                  2.66931200    4.97195500    1.20769600
 H                  1.39651800    5.59659200    2.82993000
 H                  3.77945000    4.06491200   -0.39996100
 H                  3.20878000    5.91218400    1.16044100
 C                 -1.15882600    1.29959300    2.36891800
 H                 -1.53938200    2.23046400    1.94381000
 H                 -0.92773800    1.48507500    3.41977600
 I                 -0.70419300    2.11673900   -1.73781600
 C                  2.39118800   -1.16286400   -1.09202200
 O                  0.06612100   -1.86332000    0.40964000
 N                  1.69386600   -0.12103500   -0.92041700
 C                  1.82429400   -2.59921900   -1.11466400
 C                  0.90349900   -2.80794400    0.11354900
 O                  0.93796100   -3.85838300    0.74826400
 C                  0.03556700   -1.61554100   -2.77297600
 C                 -1.20433600   -1.47859800   -2.23904000
 H                 -1.62351000   -2.24846800   -1.60488800
 H                 -1.88084300   -0.72748100   -2.62477800
 C                  2.89608200   -3.69564200   -1.12510600
 H                  2.42116100   -4.67667200   -1.12077400
 H                  3.53299400   -3.63372400   -0.24106300
 H                  3.53228900   -3.62322300   -2.00769700
 C                  3.87136800   -0.95539800   -1.33103900
 C                  4.69392100   -0.55539200   -0.27203000
 C                  4.43804900   -1.11419600   -2.60170100
 C                  6.05415300   -0.32595700   -0.47591500
 H                  4.26588300   -0.42494400    0.71596800
 C                  5.79570300   -0.87449800   -2.80810600
 H                  3.82009800   -1.41634000   -3.44095800
 C                  6.60912900   -0.48290700   -1.74505700
 H                  6.67838100   -0.02044600    0.35773600
 H                  6.21696400   -0.99326700   -3.80117900
 H                  7.66644500   -0.29968900   -1.90578100
 C                  0.51643100   -0.73066100   -3.88491300
 H                  0.58496200   -1.33174100   -4.79943600
 H                  1.51686000   -0.34058100   -3.68535400
 H                 -0.15420500    0.10636500   -4.06715900
 C                  0.93362800   -2.77225800   -2.40326700
 H                  1.60957900   -2.96698600   -3.23920100
 H                  0.33590200   -3.67785500   -2.26741800
 
86    
2-Co-t   SCF Done:  E(UM06) =  -4115.39008623
 Co                 0.01308700   -0.27687200   -0.26351700
 P                 -2.64745200    0.05042900    0.30311300
 P                  0.06405300    2.09429800    0.63982300
 C                 -2.66811200    1.71585700    1.14869800
 H                 -2.40859400    1.51511400    2.19171000
 H                 -3.67959700    2.12908700    1.16300400
 C                 -3.57557300   -0.99105500    1.51854700
 C                 -4.95969100   -0.84546600    1.69826300
 C                 -2.88086800   -1.92514900    2.29734100
 C                 -5.63299500   -1.61651400    2.64219900
 H                 -5.51764900   -0.13626300    1.09654800
 C                 -3.56123500   -2.69645000    3.24111800
 H                 -1.81184700   -2.04619400    2.17030700
 C                 -4.93477900   -2.54518800    3.41556900
 H                 -6.70348300   -1.49427700    2.77184400
 H                 -3.01231000   -3.41941200    3.83610600
 H                 -5.46166400   -3.14829100    4.14789300
 C                 -3.85617400    0.19610100   -1.08096100
 C                 -4.19152700   -0.97685100   -1.77485500
 C                 -4.42077300    1.40651000   -1.49676900
 C                 -5.07790600   -0.94042700   -2.84607200
 H                 -3.76106000   -1.92733200   -1.47455400
 C                 -5.30378200    1.44337500   -2.57746000
 H                 -4.18639500    2.33401500   -0.98797400
 C                 -5.63581600    0.27258900   -3.25335700
 H                 -5.33002300   -1.85846400   -3.36666500
 H                 -5.73244600    2.39147200   -2.88533800
 H                 -6.32335200    0.30266800   -4.09206000
 C                  0.52352900    2.34477400    2.40713800
 C                  0.50545800    1.24031900    3.26912900
 C                  0.85967900    3.60739400    2.91671800
 C                  0.80489700    1.40071200    4.62254900
 H                  0.26667700    0.25807900    2.87756200
 C                  1.16314500    3.76074200    4.26695800
 H                  0.89366000    4.47159700    2.26218800
 C                  1.13387100    2.65848800    5.12266200
 H                  0.78640300    0.53934700    5.28211100
 H                  1.42441800    4.74125800    4.65115400
 H                  1.37214600    2.78114800    6.17404400
 C                  1.07569300    3.31575500   -0.28425100
 C                  0.59526600    4.57135100   -0.67764400
 C                  2.39427400    2.96099300   -0.60501000
 C                  1.42160000    5.45581300   -1.37085800
 H                 -0.41999400    4.87345300   -0.44978600
 C                  3.21846000    3.84912900   -1.29037000
 H                  2.77332500    1.98224600   -0.33148400
 C                  2.73355500    5.09914200   -1.67510300
 H                  1.03652500    6.42491900   -1.67017500
 H                  4.23612900    3.56064500   -1.53132400
 H                  3.37418700    5.78963100   -2.21333700
 C                 -1.68124300    2.72531100    0.54346000
 H                 -1.89516400    2.90504200   -0.51301700
 H                 -1.76645200    3.68178100    1.06470200
 I                 -0.37973800    0.21225100   -2.91765000
 C                  2.73215000   -1.56702400    0.06088600
 O                  0.19293500   -1.42033000    1.34006700
 N                  2.00389000   -0.66624900   -0.41186300
 C                  2.25156100   -2.74628300    0.92777600
 C                  0.87441900   -2.48340900    1.61906900
 O                  0.50002900   -3.31596200    2.43988600
 C                  1.09333900   -4.06066100   -1.05328000
 C                 -0.17558200   -4.41035900   -0.82327200
 H                 -0.52216000   -4.68432100    0.16779800
 H                 -0.91124800   -4.43228600   -1.62144700
 C                  3.28961300   -3.01448400    2.03860400
 H                  2.91399500   -3.80815300    2.68248500
 H                  3.45525500   -2.12739200    2.65463800
 H                  4.24822900   -3.32454900    1.62075500
 C                  4.20770800   -1.38875500   -0.24289900
 C                  4.90901200   -0.38507100    0.43548900
 C                  4.86774400   -2.17639700   -1.19109600
 C                  6.26623600   -0.19235900    0.18773800
 H                  4.39670900    0.23538700    1.16210200
 C                  6.22417300   -1.97375500   -1.43853500
 H                  4.33350100   -2.93756800   -1.74552000
 C                  6.92628900   -0.98610000   -0.74893700
 H                  6.80390900    0.58245500    0.72342700
 H                  6.72932400   -2.58753400   -2.17640200
 H                  7.98171400   -0.83195500   -0.94568500
 C                  1.58144200   -3.72497600   -2.43964000
 H                  2.37639800   -4.41410700   -2.74752600
 H                  1.99653900   -2.71484900   -2.49511800
 H                  0.77660600   -3.79018300   -3.17379200
 C                  2.11373300   -4.05490500    0.07174000
 H                  3.10264500   -4.31610200   -0.31535600
 H                  1.85324400   -4.82699600    0.79829700
 
83    
3-Co-1-s   SCF Done:  E(RM06) =  -3926.80396028
 Co                -0.29022100   -0.36507100    0.30404100
 P                 -0.33762000    2.08830800   -0.02626600
 P                  2.29940600   -0.01980300    0.08088400
 C                  1.41229000    2.68186200    0.15076400
 H                  1.60601100    2.72479500    1.22494000
 H                  1.53873500    3.69890500   -0.22649600
 C                 -1.28949200    3.08327100    1.20562700
 C                 -2.52540700    2.58242100    1.63828100
 C                 -0.85176000    4.32397500    1.68791800
 C                 -3.31210100    3.31566200    2.52606400
 H                 -2.86366000    1.61386600    1.28508700
 C                 -1.63491100    5.04748200    2.58600900
 H                  0.09687100    4.73995900    1.36737400
 C                 -2.86788300    4.54778900    3.00352400
 H                 -4.26883600    2.91885600    2.84980400
 H                 -1.28237200    6.00544800    2.95423600
 H                 -3.47791100    5.11536800    3.69844100
 C                 -0.94422900    2.83587100   -1.60670500
 C                 -2.30871100    2.72269400   -1.91234900
 C                 -0.10628000    3.49143000   -2.51542700
 C                 -2.82080000    3.26061700   -3.08909200
 H                 -2.97927700    2.21153400   -1.23027500
 C                 -0.62025900    4.02554900   -3.69801700
 H                  0.95425100    3.59625400   -2.32080100
 C                 -1.97730400    3.91415200   -3.98821300
 H                 -3.88003400    3.16639400   -3.30523700
 H                  0.04622200    4.53059600   -4.38964200
 H                 -2.37587700    4.33150500   -4.90696300
 C                  3.36176200   -0.02286800    1.60871400
 C                  3.59432600   -1.25928800    2.23249400
 C                  3.91207300    1.12815900    2.18577300
 C                  4.35914900   -1.34254100    3.39212100
 H                  3.18354400   -2.16921200    1.80589400
 C                  4.67516700    1.04460500    3.35187100
 H                  3.76432800    2.10285500    1.73645700
 C                  4.90077700   -0.18791900    3.95833500
 H                  4.53143300   -2.30921900    3.85374900
 H                  5.09432500    1.94856600    3.78147800
 H                  5.49412200   -0.25065400    4.86432300
 C                  3.44509800   -0.92208800   -1.06575000
 C                  4.65878700   -0.34672700   -1.47067300
 C                  3.14670200   -2.22363500   -1.48128000
 C                  5.54364100   -1.05464800   -2.28073000
 H                  4.93131600    0.65309600   -1.15233700
 C                  4.03938000   -2.93704900   -2.28119000
 H                  2.20850200   -2.67805600   -1.19530100
 C                  5.23747000   -2.35364900   -2.68612300
 H                  6.47590100   -0.59241900   -2.58853400
 H                  3.79149800   -3.94668200   -2.59218400
 H                  5.93010200   -2.90643300   -3.31225100
 C                  2.40689400    1.73567700   -0.54112900
 H                  2.19964200    1.67213900   -1.61166200
 H                  3.42112000    2.12634800   -0.44250800
 I                 -0.22436400   -0.78622300   -2.36817700
 C                 -2.11979700   -1.91229700    0.45434000
 N                 -2.16677700   -0.65500600    0.23898900
 C                 -0.70087200   -2.29274900    0.82055300
 C                 -0.82195900   -0.86183400    2.81092800
 C                  0.07373500    0.14353600    2.66325400
 H                  1.11927800   -0.06753700    2.50233000
 H                 -0.17975500    1.15304800    2.96614600
 C                 -0.06758300   -3.49923400    0.15744000
 H                  1.00510500   -3.54146200    0.36561200
 H                 -0.20038900   -3.48891100   -0.92480400
 H                 -0.49320000   -4.43879700    0.53615200
 C                 -3.31027300   -2.80718500    0.36806800
 C                 -3.34430300   -4.06218200    0.99322800
 C                 -4.44378900   -2.38596700   -0.34640500
 C                 -4.47804200   -4.86971700    0.91042700
 H                 -2.48942900   -4.41081400    1.55961400
 C                 -5.57322500   -3.19245300   -0.43215700
 H                 -4.42085600   -1.41794000   -0.83394600
 C                 -5.59495900   -4.43972800    0.19646900
 H                 -4.48724100   -5.83575700    1.40499200
 H                 -6.43794100   -2.85252600   -0.99347800
 H                 -6.47492600   -5.07095000    0.12705900
 C                 -2.16728300   -0.64260300    3.42927200
 H                 -2.18054800   -1.16946300    4.39191000
 H                 -2.97160000   -1.07058800    2.82898400
 H                 -2.37669700    0.41075100    3.61331500
 C                 -0.48152300   -2.25731700    2.34456100
 H                 -1.07981800   -3.00829500    2.87766300
 H                  0.56895200   -2.47681000    2.55817000
 
83    
3-Co-1-t   SCF Done:  E(UM06) =  -3926.80796781
 Co                 0.04029300   -0.13846000   -0.71051900
 P                 -0.57982500    1.28051200    1.04487800
 P                  1.94225200   -0.86281700    0.75710300
 C                  0.36004700    0.57334100    2.48580900
 H                 -0.11255000   -0.38363400    2.71542400
 H                  0.22426300    1.19911800    3.36917200
 C                 -2.31674400    1.27220700    1.69270300
 C                 -3.13639300    2.40693800    1.61996800
 C                 -2.82750900    0.11483200    2.30006700
 C                 -4.42920400    2.38573300    2.14210300
 H                 -2.77178600    3.32146500    1.17007800
 C                 -4.11436000    0.10152700    2.83142300
 H                 -2.23270100   -0.78736400    2.34218600
 C                 -4.92136400    1.23535600    2.75315600
 H                 -5.04561700    3.27609800    2.07556700
 H                 -4.48742600   -0.80208400    3.30168600
 H                 -5.92504100    1.22132400    3.16481100
 C                 -0.16244500    3.08138300    1.04590200
 C                 -0.57221200    3.88525600   -0.02747200
 C                  0.50538500    3.68746400    2.11758800
 C                 -0.33893700    5.25761100   -0.01959100
 H                 -1.07091200    3.44292900   -0.87877100
 C                  0.75591200    5.05987700    2.11525900
 H                  0.84060800    3.10856100    2.96850800
 C                  0.33058100    5.84950800    1.05044100
 H                 -0.67097600    5.86152900   -0.85745000
 H                  1.28087800    5.50743000    2.95254600
 H                  0.52087000    6.91758100    1.05232200
 C                  1.78588500   -2.47810600    1.64822000
 C                  2.67372600   -2.82717200    2.67835700
 C                  0.78233600   -3.38168000    1.28204900
 C                  2.55616300   -4.05198300    3.32818000
 H                  3.46976100   -2.14919000    2.96876600
 C                  0.66984500   -4.61260000    1.93253200
 H                  0.07338900   -3.10559200    0.51244400
 C                  1.55370500   -4.94942900    2.95398900
 H                  3.24871700   -4.30890700    4.12313900
 H                 -0.11265100   -5.30515100    1.63946900
 H                  1.46522500   -5.90582500    3.45905500
 C                  3.72126500   -0.88637700    0.26386000
 C                  4.25118800   -2.04760100   -0.31910600
 C                  4.54849400    0.23738200    0.38743800
 C                  5.57232700   -2.08568800   -0.75773600
 H                  3.63728900   -2.93613600   -0.42025000
 C                  5.87356700    0.19476300   -0.04486600
 H                  4.17248600    1.15579800    0.82008700
 C                  6.38984500   -0.96440400   -0.61977400
 H                  5.96321800   -2.99471400   -1.20316100
 H                  6.50058800    1.07315000    0.06825500
 H                  7.42048800   -0.99477600   -0.95734400
 C                  1.84035000    0.36295700    2.15270100
 H                  2.30001600    1.29955800    1.83290700
 H                  2.38772900    0.01001800    3.02893700
 I                  1.70867500    1.83246100   -1.91798900
 C                 -2.19808100   -0.98824200   -0.93235900
 N                 -1.31578500   -1.30442700   -0.06177300
 C                 -1.57443500   -0.00598000   -1.90051500
 C                 -0.17575200   -1.86394500   -2.80475000
 C                  1.12411500   -1.70259600   -2.48929600
 H                  1.64870400   -0.77315000   -2.65968600
 H                  1.71855500   -2.55055000   -2.16518400
 C                 -2.25542400    1.32148300   -2.16537900
 H                 -1.53730500    2.04352100   -2.56217100
 H                 -2.70743600    1.74315900   -1.26494600
 H                 -3.05651300    1.22889500   -2.91157400
 C                 -3.56617900   -1.57792900   -0.98083200
 C                 -4.45219200   -1.29694800   -2.03047000
 C                 -3.98475700   -2.46217800    0.02789600
 C                 -5.72011500   -1.87670100   -2.06901200
 H                 -4.15393700   -0.62872500   -2.82828900
 C                 -5.24759100   -3.04067800   -0.01052400
 H                 -3.30164700   -2.68994400    0.83756700
 C                 -6.12295400   -2.74842200   -1.05995100
 H                 -6.39146300   -1.64711800   -2.89016600
 H                 -5.55380400   -3.72133900    0.77761600
 H                 -7.10948100   -3.19946900   -1.08936300
 C                 -0.81847200   -3.22067500   -2.77815400
 H                 -1.08212800   -3.50349100   -3.80483600
 H                 -1.74955200   -3.22869800   -2.20875200
 H                 -0.15193000   -3.98490900   -2.37529000
 C                 -1.05445700   -0.68523000   -3.18115900
 H                 -1.87950000   -1.01321000   -3.82944200
 H                 -0.47298400    0.04903100   -3.74588700
 
83    
3-Co-2-s   SCF Done:  E(RM06) =  -3926.79273981 
 Co                -0.08435000   -0.16194700   -0.52669000
 P                  0.60541700    2.00082100    0.07060300
 P                 -2.23722800    0.65281500    0.21812200
 C                 -0.86946800    3.12414500   -0.02775500
 H                 -1.10483500    3.26743400   -1.08450700
 H                 -0.65772200    4.10962600    0.39259600
 C                  1.94776000    2.89323400   -0.80943300
 C                  3.27614300    2.50178200   -0.58530600
 C                  1.69117200    3.92521900   -1.72226900
 C                  4.32085400    3.12842200   -1.25923800
 H                  3.49222100    1.70839200    0.11950400
 C                  2.74075700    4.55327400   -2.39220300
 H                  0.67799300    4.25465500   -1.91907800
 C                  4.05667300    4.15565200   -2.16532800
 H                  5.34315400    2.81550900   -1.07376600
 H                  2.52564900    5.35599000   -3.08973900
 H                  4.87185200    4.64550200   -2.68738300
 C                  1.14179100    2.13405600    1.83381300
 C                  1.31953600    3.38883100    2.43568900
 C                  1.38426900    0.97933300    2.58414500
 C                  1.71621500    3.48220900    3.76671600
 H                  1.15842300    4.29962200    1.86854600
 C                  1.79101200    1.07523700    3.91564100
 H                  1.26954500    0.01040600    2.11395000
 C                  1.95225600    2.32439100    4.50991600
 H                  1.84560200    4.45844700    4.22226100
 H                  1.98097800    0.17175600    4.48560100
 H                  2.26483800    2.39869900    5.54626400
 C                 -3.61338200    0.64549900   -1.01027400
 C                 -4.29495400   -0.55383500   -1.26933400
 C                 -3.94591700    1.78205200   -1.75866900
 C                 -5.29334900   -0.60646400   -2.23869800
 H                 -4.04270900   -1.44940600   -0.71320300
 C                 -4.94339100    1.72525300   -2.73227600
 H                 -3.43704300    2.72483300   -1.59417500
 C                 -5.62156000    0.53291600   -2.97348900
 H                 -5.81520200   -1.54047500   -2.41965900
 H                 -5.18942400    2.61763700   -3.29827900
 H                 -6.39946500    0.49048300   -3.72852000
 C                 -3.01381300    0.00759800    1.76474800
 C                 -2.20002300   -0.58954400    2.73483500
 C                 -4.37176600    0.20658400    2.04485800
 C                 -2.73240100   -0.97737500    3.96269700
 H                 -1.15249500   -0.76317200    2.52226000
 C                 -4.90442300   -0.18998900    3.27087700
 H                 -5.02010800    0.66797900    1.30876800
 C                 -4.08639500   -0.78139700    4.23224600
 H                 -2.09027400   -1.44098100    4.70443600
 H                 -5.95897900   -0.03374400    3.47342400
 H                 -4.50211900   -1.08895200    5.18618500
 C                 -2.03411800    2.45418800    0.70384400
 H                 -1.83761400    2.44244400    1.77788000
 H                 -2.96864200    3.00138200    0.56590000
 I                 -1.10429000   -2.72226500   -0.15425100
 C                  2.23388400   -1.73358300   -0.90385200
 N                  1.62848400   -0.60141900   -0.47631400
 C                  2.03504900   -2.32326400   -2.12677600
 C                  0.53848100   -0.37612300   -2.89204100
 C                 -0.75141300    0.01604700   -2.61378800
 H                 -1.54654300   -0.71757200   -2.57605300
 H                 -1.04996400    1.04248100   -2.79878400
 C                  2.85277300   -3.45768800   -2.67338500
 H                  2.22748400   -4.34398200   -2.85225000
 H                  3.65914000   -3.76011400   -2.00575700
 H                  3.29458300   -3.20016400   -3.64569700
 C                  3.29172800   -2.22402100    0.05087600
 C                  3.14897400   -3.46202000    0.68843800
 C                  4.41160600   -1.43851700    0.35152600
 C                  4.11156200   -3.91215000    1.59290900
 H                  2.27640600   -4.07063200    0.47606400
 C                  5.37743600   -1.88972600    1.24878500
 H                  4.52776200   -0.47542100   -0.13280900
 C                  5.22979300   -3.12881800    1.87435900
 H                  3.98499200   -4.87463000    2.07884700
 H                  6.24638000   -1.27418100    1.45990800
 H                  5.97967900   -3.47876700    2.57658300
 C                  1.55709800    0.60183600   -3.40651400
 H                  1.61192100    0.48578600   -4.49629900
 H                  2.55294200    0.39574400   -3.01231100
 H                  1.29454800    1.63540600   -3.19367500
 C                  0.92953300   -1.82743700   -3.03622400
 H                  1.24775500   -1.96677700   -4.07928600
 H                  0.04199900   -2.45806400   -2.89887000
 
83    
3-Co-2-t   SCF Done:  E(UM06) =  -3926.82750197
 Co                 0.19423700   -0.42691500    0.11168500
 P                 -0.57490900    1.69573300    0.80003800
 P                  2.35897700    0.60936500    0.24198000
 C                  0.83997600    2.53219200    1.66432800
 H                  0.96103600    2.04374500    2.63429900
 H                  0.63455600    3.58674800    1.85968200
 C                 -2.05408000    2.01473400    1.84529800
 C                 -3.31641700    1.68713700    1.32849400
 C                 -1.96673900    2.55816600    3.13273500
 C                 -4.46493700    1.90139100    2.08466800
 H                 -3.40283800    1.25766000    0.33677000
 C                 -3.12070000    2.77089900    3.88733800
 H                 -1.00718100    2.82371400    3.56014500
 C                 -4.37049800    2.44319900    3.36719100
 H                 -5.43440600    1.64396000    1.67125600
 H                 -3.03837700    3.19564200    4.88235000
 H                 -5.26649600    2.61055800    3.95554400
 C                 -0.89046500    2.76622100   -0.67253400
 C                 -0.89649500    4.16523100   -0.57269300
 C                 -1.15505900    2.16973500   -1.91106300
 C                 -1.14510000    4.95022400   -1.69532600
 H                 -0.71479900    4.65315800    0.37880500
 C                 -1.41195600    2.96017900   -3.03238400
 H                 -1.18543400    1.08887900   -1.98333200
 C                 -1.40161400    4.34888500   -2.92853800
 H                 -1.14182200    6.03157600   -1.60644900
 H                 -1.61975300    2.48660400   -3.98631000
 H                 -1.59687900    4.96269300   -3.80167900
 C                  3.60005600   -0.09537500    1.40943800
 C                  4.26315500   -1.28205700    1.06056500
 C                  3.85673900    0.47552200    2.66212200
 C                  5.16948900   -1.87048500    1.93847600
 H                  4.06893200   -1.74902400    0.10178900
 C                  4.76178700   -0.11912000    3.54170300
 H                  3.35973000    1.38765400    2.97076000
 C                  5.42185500   -1.29139600    3.18237300
 H                  5.67837800   -2.78425100    1.64979300
 H                  4.94930000    0.33985900    4.50672800
 H                  6.12750500   -1.75178600    3.86576500
 C                  3.30626800    0.87653100   -1.31704200
 C                  2.60991000    0.90470400   -2.53145100
 C                  4.68101400    1.14581400   -1.31309500
 C                  3.27496500    1.20099900   -3.71967500
 H                  1.54893600    0.68544100   -2.54975200
 C                  5.34545400    1.43432100   -2.50393900
 H                  5.23895400    1.12732200   -0.38392500
 C                  4.64423600    1.46335900   -3.70862000
 H                  2.72394400    1.21793300   -4.65420000
 H                  6.41118000    1.63767800   -2.48825900
 H                  5.16307900    1.68740600   -4.63483500
 C                  2.10077100    2.37738100    0.80735900
 H                  1.99960500    2.96375400   -0.10829700
 H                  2.98588900    2.75741700    1.32079800
 I                  1.23592800   -2.53992200   -1.33297100
 C                 -2.42032300   -1.76935900   -0.18264300
 N                 -1.49211200   -0.88052200   -0.44584800
 C                 -2.34783100   -2.83867600    0.74601700
 C                 -0.62505700   -1.84193400    2.39312900
 C                  0.68369700   -1.52824900    2.39133900
 H                  1.40987500   -2.13223700    1.86171900
 H                  1.07226900   -0.74584500    3.03391200
 C                 -3.34703100   -3.96116600    0.78458000
 H                 -2.83313900   -4.92906100    0.71484000
 H                 -4.08360800   -3.91451900   -0.01522900
 H                 -3.88997900   -3.97915100    1.73970800
 C                 -3.67312500   -1.62571600   -1.02742200
 C                 -3.59671100   -1.66742900   -2.42507900
 C                 -4.92038000   -1.38679600   -0.43686300
 C                 -4.73438200   -1.48870200   -3.21003000
 H                 -2.63586300   -1.84270800   -2.89723400
 C                 -6.05951200   -1.19519100   -1.21958200
 H                 -4.99971800   -1.34498500    0.64514400
 C                 -5.97126900   -1.24874200   -2.61000400
 H                 -4.65525400   -1.53517400   -4.29189900
 H                 -7.01544600   -1.00370500   -0.74176600
 H                 -6.85680700   -1.10376700   -3.22049600
 C                 -1.61664600   -1.13322900    3.27327000
 H                 -1.98587100   -1.83087200    4.03457800
 H                 -2.48822800   -0.79450900    2.71018500
 H                 -1.17811000   -0.27614400    3.78436700
 C                 -1.15193900   -3.04518800    1.64846000
 H                 -1.43641200   -3.78611100    2.40767400
 H                 -0.33822000   -3.50384700    1.07427600
 
83    
3-Co-s   SCF Done:  E(RM06) =  -3926.81203548
 Co                -0.01779500   -0.05773100   -0.69766900
 P                  0.69063300    1.08543200    1.18251200
 P                 -2.20679500   -0.41284400    0.58984000
 C                 -0.84237200    1.47749300    2.14788200
 H                 -1.34693000    2.27990900    1.60518700
 H                 -0.59548100    1.86256000    3.13865400
 C                  1.55114500    2.70033200    0.94496700
 C                  2.46203700    2.86789200   -0.10468900
 C                  1.36491200    3.74129500    1.86346500
 C                  3.17790900    4.05698600   -0.22660600
 H                  2.58753400    2.07147600   -0.82809200
 C                  2.07307700    4.93476500    1.72711000
 H                  0.67176400    3.64082200    2.69018600
 C                  2.98390400    5.09427200    0.68490600
 H                  3.88116800    4.17642100   -1.04453100
 H                  1.91232000    5.73633800    2.44051100
 H                  3.53816000    6.02157000    0.58326600
 C                  1.84028800    0.28707000    2.39401400
 C                  3.16853100    0.05606100    2.00413200
 C                  1.45038200   -0.07143800    3.69051900
 C                  4.07494100   -0.52922000    2.88281300
 H                  3.50357000    0.33422100    1.01249500
 C                  2.36153700   -0.65707300    4.56962700
 H                  0.44172000    0.10390500    4.04204100
 C                  3.67374400   -0.89203100    4.16849300
 H                  5.09686900   -0.70023200    2.56136000
 H                  2.03957500   -0.92517300    5.57035200
 H                  4.38073100   -1.34835500    4.85306400
 C                 -3.83180400    0.41538300    0.23380500
 C                 -4.11706900    0.91500600   -1.04026600
 C                 -4.83071800    0.46983500    1.21864900
 C                 -5.36784900    1.46700700   -1.32334300
 H                 -3.35574600    0.90177200   -1.80770100
 C                 -6.07374400    1.02918700    0.93869900
 H                 -4.65488400    0.06155000    2.20788200
 C                 -6.34609900    1.52974100   -0.33547200
 H                 -5.57013500    1.85186200   -2.31751900
 H                 -6.83208500    1.06740100    1.71380500
 H                 -7.31694100    1.96203200   -0.55436900
 C                 -2.83406000   -2.12922200    0.93147000
 C                 -3.63092400   -2.74519900   -0.04720600
 C                 -2.53394200   -2.85271700    2.09267700
 C                 -4.10408900   -4.04272000    0.12558900
 H                 -3.90912900   -2.20578700   -0.94635200
 C                 -3.01556600   -4.15055200    2.26896100
 H                 -1.93087400   -2.42007400    2.88086800
 C                 -3.79674000   -4.75220600    1.28615700
 H                 -4.71867800   -4.49559400   -0.64526200
 H                 -2.77698800   -4.68747200    3.18109800
 H                 -4.16808800   -5.76197000    1.42454300
 C                 -1.74554300    0.24488800    2.26822200
 H                 -1.22254100   -0.54894900    2.80066300
 H                 -2.63364000    0.48507500    2.85376500
 I                 -0.83103700    2.43120500   -1.82665100
 C                  2.07021700   -1.21544200   -1.03358800
 N                  1.77354200   -0.00487100   -1.32267000
 C                  0.83243400   -1.89539900   -0.49868200
 C                 -0.23521100   -1.78371100   -2.75858900
 C                 -1.36190400   -1.04867600   -2.77281600
 H                 -2.15379300   -1.20651300   -2.05647500
 H                 -1.56997800   -0.34989300   -3.57362000
 C                  0.93094200   -2.65606400    0.81051500
 H                 -0.05575200   -2.93609900    1.18251700
 H                  1.44011800   -2.09179600    1.58966100
 H                  1.48869400   -3.59316500    0.67980900
 C                  3.41640200   -1.81297600   -1.27355600
 C                  3.63392300   -3.19775200   -1.23762100
 C                  4.50578900   -0.97447700   -1.56435100
 C                  4.89935700   -3.72844900   -1.48627500
 H                  2.81442000   -3.87290600   -1.02649400
 C                  5.76822700   -1.50258800   -1.80793000
 H                  4.34500700    0.09713700   -1.59770500
 C                  5.97074800   -2.88444200   -1.76979000
 H                  5.04574800   -4.80335500   -1.45823500
 H                  6.59809100   -0.83822500   -2.02704300
 H                  6.95612600   -3.29735500   -1.95934300
 C                  0.73285700   -1.74334600   -3.90670200
 H                  0.69957700   -2.70792200   -4.42787000
 H                  1.76342700   -1.60075700   -3.57927700
 H                  0.48183300   -0.96087100   -4.62469900
 C                  0.08331000   -2.69004400   -1.58779800
 H                  0.66746800   -3.55878200   -1.92112600
 H                 -0.84302600   -3.08144300   -1.15737900
 
86    
3-Co-t   SCF Done:  E(UM06) =  -3926.81913136 
 Co                 0.27707800   -0.07786500   -0.69069000
 P                 -0.55241200   -0.15450800    1.50812700
 P                  2.37246700    0.48262600    0.43471200
 C                  0.89441500   -0.50715500    2.62009300
 H                  1.19077900   -1.54036200    2.43020200
 H                  0.61669700   -0.42380800    3.67300000
 C                 -1.84115200   -1.36549300    2.00162100
 C                 -3.18114200   -1.09963400    1.68828000
 C                 -1.52511200   -2.55109900    2.67751100
 C                 -4.18227600   -1.99820600    2.04835200
 H                 -3.44714300   -0.19262100    1.15991800
 C                 -2.53064000   -3.44638200    3.03999800
 H                 -0.49956200   -2.79102500    2.92646500
 C                 -3.86038100   -3.17362200    2.72608400
 H                 -5.21456900   -1.77810400    1.79761200
 H                 -2.26999700   -4.35796200    3.56761300
 H                 -4.64135000   -3.87221800    3.00790500
 C                 -1.21659100    1.44344700    2.15215400
 C                 -1.52629300    1.60134400    3.51155300
 C                 -1.41072700    2.52298500    1.28408700
 C                 -2.00416500    2.81764700    3.99033000
 H                 -1.40432500    0.77301000    4.20139200
 C                 -1.89340000    3.74126100    1.76427700
 H                 -1.20257400    2.41193400    0.22655300
 C                 -2.18610500    3.89157900    3.11728100
 H                 -2.23718400    2.92671700    5.04430400
 H                 -2.03992200    4.56917500    1.07874100
 H                 -2.55924500    4.83892600    3.49186500
 C                  3.89437400   -0.52378800    0.19005100
 C                  4.69283600   -0.30925200   -0.94331200
 C                  4.24680000   -1.54877900    1.07674400
 C                  5.81873700   -1.09478200   -1.17719700
 H                  4.45368600    0.48482100   -1.64141600
 C                  5.37747900   -2.32992700    0.84361700
 H                  3.64487100   -1.75340200    1.95388000
 C                  6.16530600   -2.10735900   -0.28365000
 H                  6.42716100   -0.91031000   -2.05632900
 H                  5.63804600   -3.11582200    1.54470100
 H                  7.04407300   -2.71727600   -0.46435800
 C                  2.96821200    2.21569200    0.20209200
 C                  2.09061700    3.17566100   -0.31568200
 C                  4.24786700    2.61937100    0.61018500
 C                  2.48069700    4.50949800   -0.42962100
 H                  1.09333300    2.88640500   -0.62609500
 C                  4.63716200    3.95167200    0.49505300
 H                  4.94467500    1.89571500    1.01737200
 C                  3.75590700    4.89907900   -0.02635700
 H                  1.78842900    5.23954400   -0.83523500
 H                  5.63028800    4.24952400    0.81457400
 H                  4.06264900    5.93571800   -0.11669000
 C                  2.03568600    0.45061700    2.27531600
 H                  1.76626100    1.47339200    2.54713600
 H                  2.94563900    0.20924000    2.82782300
 I                  0.91419600   -3.08315200   -0.55393900
 C                 -2.30082800    0.60367200   -1.89709600
 N                 -1.56449300   -0.23798300   -1.19279900
 C                 -1.84773900    1.49855200   -2.88732500
 C                  0.33319700    0.18174800   -3.07378500
 C                  1.57907400    0.18595600   -2.51853700
 H                  2.07827200    1.12772000   -2.32395900
 H                  2.19280700   -0.70607200   -2.52411600
 C                 -2.72638500    2.41974200   -3.67948400
 H                 -2.33496500    3.44514300   -3.64863500
 H                 -3.75524300    2.44299400   -3.32660700
 H                 -2.73781200    2.13524000   -4.74036700
 C                 -3.79626600    0.47004500   -1.67480800
 C                 -4.51872900    1.45058000   -0.98496300
 C                 -4.47473200   -0.66973700   -2.12154000
 C                 -5.88564000    1.29738200   -0.74841200
 H                 -4.00867100    2.33923600   -0.62612700
 C                 -5.84088500   -0.82286800   -1.89240200
 H                 -3.92625700   -1.44346500   -2.64921100
 C                 -6.55224200    0.16054200   -1.20336500
 H                 -6.42796200    2.06706000   -0.20796400
 H                 -6.35111800   -1.71101100   -2.25216200
 H                 -7.61571900    0.04113100   -1.02310100
 C                 -0.18530900   -1.03234300   -3.79801000
 H                  0.04549200   -0.91558800   -4.86429600
 H                 -1.26473000   -1.14411200   -3.70686800
 H                  0.29482500   -1.94234100   -3.44106900
 C                 -0.39806000    1.48354900   -3.29748500
 H                 -0.34963500    1.70030000   -4.37391300
 H                  0.14573400    2.30893600   -2.81799900 
 
86    
4-Co-1-s   SCF Done:  E(RM06) =  -4115.42606816
 Co                 0.18146900   -0.11357200    0.33395800
 P                 -0.43047300    1.85359900   -0.82166500
 P                  2.22968600    0.05521100   -0.69224800
 C                  1.01289100    2.27426500   -1.93304400
 H                  1.55796000    3.08676900   -1.45542900
 H                  0.64303400    2.67086800   -2.87830600
 C                 -0.68194200    3.41694700    0.14389800
 C                 -1.98009300    3.87492500    0.41043300
 C                  0.40158400    4.14197700    0.66206000
 C                 -2.18753000    5.02945000    1.16246100
 H                 -2.83809300    3.33771000    0.02579900
 C                  0.19185800    5.29843500    1.41038100
 H                  1.42270600    3.81962300    0.49524600
 C                 -1.10305000    5.74649800    1.66330000
 H                 -3.20055900    5.36791900    1.35238800
 H                  1.04496200    5.84643500    1.79583000
 H                 -1.26489400    6.64709300    2.24584200
 C                 -1.92808900    1.86598300   -1.89553700
 C                 -2.05515400    2.78852200   -2.94260000
 C                 -2.99882400    1.01607900   -1.60389700
 C                 -3.22425700    2.83901200   -3.69856700
 H                 -1.25706400    3.48492000   -3.17276600
 C                 -4.17282300    1.07777100   -2.35244600
 H                 -2.90859300    0.30054200   -0.79897500
 C                 -4.28559800    1.98352900   -3.40529700
 H                 -3.30558800    3.55187000   -4.51227100
 H                 -4.99366600    0.40896600   -2.11616300
 H                 -5.19643600    2.02584300   -3.99327500
 C                  3.54421700    0.89901900    0.28750400
 C                  4.07232600    0.22403700    1.39902600
 C                  4.04502300    2.16553400   -0.03525900
 C                  5.07525100    0.80537500    2.16833000
 H                  3.70532300   -0.76247200    1.66200700
 C                  5.04970600    2.74662400    0.73976400
 H                  3.67987400    2.70799900   -0.89859900
 C                  5.56512800    2.07069200    1.84224100
 H                  5.47549100    0.26884500    3.02193800
 H                  5.42994800    3.72693500    0.47306600
 H                  6.34754600    2.52315500    2.44198400
 C                  3.13006500   -1.43461200   -1.30410900
 C                  4.05408700   -1.29098600   -2.34970700
 C                  2.96212900   -2.68792800   -0.70507900
 C                  4.78430900   -2.38946300   -2.79819700
 H                  4.21793200   -0.33073000   -2.82438400
 C                  3.70529300   -3.77976200   -1.15194900
 H                  2.24708500   -2.79865000    0.09917500
 C                  4.61248100   -3.63666300   -2.19990400
 H                  5.48892700   -2.26604200   -3.61392800
 H                  3.56645400   -4.74762900   -0.68117200
 H                  5.18398000   -4.49063800   -2.54840700
 C                  1.93852300    1.08420300   -2.20196400
 H                  1.48249400    0.39910200   -2.91754400
 H                  2.87854300    1.43203900   -2.63360400
 I                 -0.62788600   -1.69523700   -1.86134600
 C                 -1.82566800   -1.24235700    1.99694000
 O                  0.78657600   -1.74257500    1.25761800
 N                 -1.54632500    0.00344700    1.75770100
 C                 -0.90515500   -1.90261600    3.00817800
 C                  0.28709800   -2.49979700    2.17352400
 O                  0.71831000   -3.61402200    2.45229200
 C                 -0.55394600    0.51980700    2.77559500
 C                  0.69497200    0.85603300    1.96326100
 H                  1.60360400    0.40513300    2.34891300
 H                  0.83893600    1.92250600    1.81298700
 C                 -1.52157400   -2.93460200    3.95110900
 H                 -0.78665900   -3.22905500    4.70210000
 H                 -1.84119900   -3.83947200    3.43697600
 H                 -2.38557300   -2.50968900    4.46913400
 C                 -2.93479400   -1.93598500    1.32226400
 C                 -2.87154000   -3.29730800    0.98524900
 C                 -4.11757300   -1.22633700    1.06131800
 C                 -3.95913200   -3.92587300    0.38888100
 H                 -1.96313100   -3.86019800    1.16135400
 C                 -5.20947700   -1.86172000    0.47795300
 H                 -4.17858900   -0.18258900    1.34520100
 C                 -5.13152200   -3.21209300    0.13768500
 H                 -3.89176100   -4.97412300    0.11878600
 H                 -6.12265200   -1.30541200    0.29546200
 H                 -5.98248100   -3.70835900   -0.31686400
 C                 -1.15436500    1.74389500    3.47071700
 H                 -0.46841200    2.10282500    4.24425400
 H                 -2.10448500    1.48882600    3.94969100
 H                 -1.33070600    2.55624900    2.76586200
 C                 -0.37322200   -0.65854800    3.76066800
 H                 -0.98721300   -0.50174300    4.65227300
 H                  0.65855100   -0.77662900    4.09427400
 
83    
4-Co-1-t   SCF Done:  E(UM06) =  -3926.85141656
 Co                -0.39338100   -0.11493300    0.67355300
 P                  0.83592000   -0.34642600   -1.43973000
 P                 -2.15851000    0.49565400   -0.68304100
 C                 -0.54502700   -0.77655100   -2.62353900
 H                 -0.87070700   -1.78469400   -2.36064500
 H                 -0.18223100   -0.80146300   -3.65349800
 C                  2.15711500   -1.55188500   -1.91206700
 C                  1.84712600   -2.91242900   -2.06143600
 C                  3.48359400   -1.14186200   -2.10002900
 C                  2.83470300   -3.83031700   -2.41295900
 H                  0.83826600   -3.26510700   -1.88687000
 C                  4.46951100   -2.06319300   -2.45045500
 H                  3.75534400   -0.10020300   -1.98049700
 C                  4.14864300   -3.40939200   -2.61288000
 H                  2.57347800   -4.87719600   -2.52997200
 H                  5.48986500   -1.72404500   -2.59687800
 H                  4.91592900   -4.12489400   -2.88989400
 C                  1.45773700    1.24856700   -2.14246300
 C                  1.74643200    1.39387900   -3.50845400
 C                  1.62725900    2.35276500   -1.30007700
 C                  2.18622800    2.61321100   -4.01516500
 H                  1.63769600    0.55162900   -4.18326300
 C                  2.07274600    3.57484500   -1.80626700
 H                  1.41616900    2.26204700   -0.24107300
 C                  2.34993500    3.70775200   -3.16403600
 H                  2.40321100    2.70946000   -5.07393000
 H                  2.19986000    4.41980800   -1.13777700
 H                  2.69347100    4.65772900   -3.55993400
 C                 -3.78464500   -0.33388200   -0.44607400
 C                 -4.65511700    0.13155900    0.54965700
 C                 -4.15413300   -1.45670200   -1.19567900
 C                 -5.87210000   -0.50555500    0.78043000
 H                 -4.39178900    1.00088800    1.14177600
 C                 -5.37503500   -2.08939700   -0.96678400
 H                 -3.49399900   -1.85352700   -1.95767900
 C                 -6.23675000   -1.61678000    0.02090600
 H                 -6.53658000   -0.12945800    1.55138500
 H                 -5.64872300   -2.95525900   -1.56058500
 H                 -7.18649500   -2.11048900    0.19796500
 C                 -2.60067000    2.28701400   -0.65283900
 C                 -3.66315500    2.78289800   -1.42349900
 C                 -1.83859100    3.18264100    0.10452800
 C                 -3.95219900    4.14454700   -1.43336000
 H                 -4.27079800    2.10656600   -2.01531200
 C                 -2.12933500    4.54729200    0.09482900
 H                 -1.01698400    2.81558000    0.70809700
 C                 -3.18609900    5.02974600   -0.67318800
 H                 -4.77659400    4.51507200   -2.03360300
 H                 -1.53023400    5.22899400    0.68930600
 H                 -3.41449600    6.09035800   -0.68032400
 C                 -1.69744600    0.22258000   -2.47971400
 H                 -1.39746500    1.19921100   -2.86498400
 H                 -2.56789600   -0.09051400   -3.05935400
 I                 -1.01988500   -3.15117000    0.60344300
 C                  1.89378400    0.71745500    2.66418500
 N                  0.83170200    0.00451600    2.23861900
 C                  1.61803000    1.44416300    3.82760200
 C                 -0.26440000    0.10228800    3.24810300
 C                 -1.46936400    0.26924300    2.32839600
 H                 -1.89016500    1.27624700    2.35035300
 H                 -2.25674200   -0.47170700    2.46438900
 C                  2.54769100    2.24681800    4.66644800
 H                  2.31964900    3.31821500    4.59422900
 H                  3.59291000    2.10703800    4.39084400
 H                  2.42843800    1.98257900    5.72310100
 C                  3.20657500    0.66570200    1.97909100
 C                  3.92218300    1.83714200    1.69373100
 C                  3.78022300   -0.57166400    1.65681400
 C                  5.18366700    1.77223900    1.10636900
 H                  3.48537800    2.80373200    1.92072000
 C                  5.04665800   -0.63582000    1.08192900
 H                  3.23684000   -1.48390600    1.87583600
 C                  5.75254600    0.53487800    0.80647500
 H                  5.72218100    2.68778600    0.88504400
 H                  5.48125100   -1.60105100    0.84598300
 H                  6.73940100    0.48341400    0.35834300
 C                 -0.30472500   -1.18938500    4.07674800
 H                 -1.12038900   -1.13243700    4.80358400
 H                  0.63191300   -1.33609700    4.62368800
 H                 -0.47313200   -2.05001800    3.42889100
 C                  0.15815300    1.30162900    4.13837500
 H                 -0.03760100    1.14702700    5.20391700
 H                 -0.37661300    2.21759700    3.84955600
 
86    
4-Co-2-t   SCF Done:  E(UM06) =  -4115.40944077
 Co                 0.03763100   -0.06908700    0.28853100
 P                  1.23399000    1.76451900   -0.73385200
 P                  2.08866800   -1.36049500   -0.55009500
 C                  2.61946700    1.08420500   -1.80295300
 H                  3.54342200    1.33761400   -1.28205300
 H                  2.63327900    1.63136100   -2.74612800
 C                  2.14481000    2.89269000    0.40889400
 C                  1.84899500    4.25863000    0.49725500
 C                  3.14262100    2.35922700    1.23917200
 C                  2.55134100    5.07582200    1.38299100
 H                  1.07924000    4.69511300   -0.12666100
 C                  3.84192400    3.17869400    2.12017700
 H                  3.37881500    1.30131600    1.20775800
 C                  3.54926000    4.54072700    2.19318000
 H                  2.31533600    6.13335900    1.43413500
 H                  4.61341600    2.75068700    2.75104000
 H                  4.09495500    5.17887600    2.87985400
 C                  0.20046200    2.89829100   -1.73883100
 C                  0.73968800    3.63078000   -2.80397300
 C                 -1.14042400    3.09244500   -1.38123800
 C                 -0.05503100    4.53224400   -3.50942000
 H                  1.77912600    3.51878400   -3.08924600
 C                 -1.92597400    4.00527300   -2.08080400
 H                 -1.57974500    2.52605300   -0.56807800
 C                 -1.38783900    4.72149900   -3.14899300
 H                  0.37207300    5.08787800   -4.33725800
 H                 -2.96325400    4.14621800   -1.79686100
 H                 -2.00470000    5.42448200   -3.69857200
 C                  3.56841300   -1.33728600    0.54992700
 C                  3.34633200   -1.50454600    1.92494800
 C                  4.88129300   -1.17413800    0.08908500
 C                  4.41508900   -1.51871200    2.81831700
 H                  2.33353100   -1.62080200    2.29767600
 C                  5.94820700   -1.17732800    0.98646900
 H                  5.08602900   -1.04093000   -0.96726600
 C                  5.71818200   -1.35193900    2.35043700
 H                  4.22849100   -1.65133200    3.87868600
 H                  6.95973700   -1.04475400    0.61745500
 H                  6.55065200   -1.35493900    3.04595000
 C                  1.95665200   -3.12074100   -1.07381700
 C                  2.89047900   -3.69729300   -1.94703400
 C                  0.92330700   -3.91043200   -0.55341200
 C                  2.78732600   -5.04113900   -2.29756300
 H                  3.70424000   -3.10991400   -2.35801200
 C                  0.83046500   -5.25779200   -0.90327600
 H                  0.19433300   -3.47283600    0.11896200
 C                  1.75787300   -5.82440800   -1.77497000
 H                  3.51319400   -5.47615200   -2.97665500
 H                  0.02685100   -5.86203800   -0.49501700
 H                  1.68110100   -6.87193700   -2.04723800
 C                  2.55587900   -0.42346100   -2.07562600
 H                  1.77247400   -0.65024300   -2.79996100
 H                  3.50298500   -0.75326900   -2.50740400
 I                 -1.26690800   -0.55484400   -2.19207500
 C                 -3.23220700   -0.04770400    1.74167800
 O                 -0.65862700   -1.58184500    1.23368100
 N                 -2.68547800    1.10881600    1.69902900
 C                 -2.54357600   -1.06789700    2.67448200
 C                 -1.70296800   -2.06568200    1.83538500
 O                 -1.99654700   -3.25566400    1.79146600
 C                 -1.52050600    1.16774000    2.60966200
 C                 -0.22908300    1.34122900    1.81061600
 H                  0.66717500    1.08218900    2.37923100
 H                 -0.14606400    2.35615800    1.43854600
 C                 -3.51506500   -1.80368700    3.60565800
 H                 -2.95623300   -2.38615600    4.34211900
 H                 -4.16710100   -2.49110200    3.07064000
 H                 -4.13915400   -1.08647600    4.14558500
 C                 -4.45356000   -0.34154700    0.95160000
 C                 -4.77541700   -1.64131100    0.53291400
 C                 -5.31355800    0.71096100    0.59796800
 C                 -5.91826500   -1.87680300   -0.22930400
 H                 -4.12579100   -2.47093500    0.78317100
 C                 -6.45817700    0.47205500   -0.15397300
 H                 -5.07432900    1.71550500    0.92579400
 C                 -6.76406800   -0.82413500   -0.57280800
 H                 -6.14623200   -2.88662400   -0.55408700
 H                 -7.11474500    1.29641500   -0.41260800
 H                 -7.65698000   -1.01099800   -1.16035600
 C                 -1.66600700    2.42248500    3.49784100
 H                 -0.83278200    2.49776600    4.20156400
 H                 -2.59554400    2.36397400    4.07081300
 H                 -1.69269500    3.33114600    2.89299800
 C                 -1.59272500   -0.12795600    3.45211500
 H                 -2.03261300    0.09494500    4.42719400
 H                 -0.61426700   -0.57265700    3.63208800
 
86    
4-Co-s   SCF Done:  E(RM06) =  -4115.42053073
 Co                -0.41281200   -0.18633700   -0.65696700
 P                  0.96222200    0.83429900    1.31854400
 P                 -2.24477100   -0.00544600    0.74967700
 C                 -0.45564800    1.55881300    2.29156600
 H                 -0.78948000    2.45466100    1.76633300
 H                 -0.11905200    1.85641700    3.28719400
 C                  2.13490700    2.24580400    1.13417700
 C                  3.36328800    1.99785500    0.50627000
 C                  1.85910500    3.54325700    1.58268700
 C                  4.29279300    3.01964800    0.33324800
 H                  3.59971400    1.00249800    0.14883400
 C                  2.79040400    4.56700800    1.40612000
 H                  0.92292200    3.77321600    2.07588300
 C                  4.00838100    4.30952200    0.78148600
 H                  5.23803800    2.80697900   -0.15503400
 H                  2.55965600    5.56634600    1.76052200
 H                  4.73109000    5.10712800    0.64469500
 C                  1.79175000   -0.19070300    2.62700200
 C                  1.52814100   -1.56505200    2.70267000
 C                  2.64115800    0.38817100    3.58298800
 C                  2.09926000   -2.34050200    3.71326000
 H                  0.88328700   -2.02909500    1.96807400
 C                  3.21171100   -0.38972900    4.58726500
 H                  2.86451400    1.44817400    3.54382300
 C                  2.94238200   -1.75719000    4.65561300
 H                  1.88584200   -3.40373400    3.75580700
 H                  3.86798800    0.07339300    5.31710900
 H                  3.38956000   -2.36186600    5.43785500
 C                 -3.51582200    1.22071600    0.24274600
 C                 -4.32414500    0.93057200   -0.86579900
 C                 -3.70773200    2.42761700    0.92319000
 C                 -5.29343100    1.83414300   -1.28949700
 H                 -4.20918100   -0.00689600   -1.39684200
 C                 -4.68084800    3.33104800    0.49713400
 H                 -3.10656000    2.68311400    1.78702800
 C                 -5.47205100    3.03980500   -0.61114300
 H                 -5.91076000    1.59448700   -2.14869700
 H                 -4.81675400    4.26290600    1.03551300
 H                 -6.22724900    3.74463900   -0.94221100
 C                 -3.27144700   -1.48075900    1.19679900
 C                 -4.60632900   -1.29420400    1.59257700
 C                 -2.72673400   -2.77131900    1.24690200
 C                 -5.37692000   -2.37442200    2.01616300
 H                 -5.05395000   -0.30879800    1.57356500
 C                 -3.50616900   -3.84839000    1.66720000
 H                 -1.69695200   -2.93113400    0.96379800
 C                 -4.83152600   -3.65640000    2.04973800
 H                 -6.40579300   -2.20948200    2.31831300
 H                 -3.06926400   -4.84129100    1.69384700
 H                 -5.43474500   -4.49757000    2.37494200
 C                 -1.59508900    0.54265500    2.40302700
 H                 -1.25186700   -0.36989400    2.89757700
 H                 -2.42104000    0.92705500    3.00635000
 I                 -0.59912200    2.32158100   -1.56351200
 C                  1.67146600   -1.60589800   -2.03995600
 O                 -0.07881300   -1.99232800   -0.00618100
 N                  0.85033800   -0.71146400   -2.48590900
 C                  1.07083800   -2.99701200   -1.92028000
 C                  0.47065400   -3.06774300   -0.47637700
 O                  0.51674400   -4.11899800    0.15266000
 C                 -0.40243000   -1.36629700   -3.01511700
 C                 -1.53093400   -0.91016800   -2.08969500
 H                 -2.14812300   -1.72841700   -1.72116600
 H                 -2.14351200   -0.11946900   -2.51415500
 C                  1.97920100   -4.18804300   -2.22227900
 H                  1.39459900   -5.10907800   -2.21038900
 H                  2.78360800   -4.30298800   -1.49704500
 H                  2.42571500   -4.08120800   -3.21429300
 C                  3.05561500   -1.26732700   -1.65988200
 C                  3.72111700   -1.90471900   -0.60073000
 C                  3.75014200   -0.31583000   -2.42373900
 C                  5.04557300   -1.59055400   -0.31128900
 H                  3.20352100   -2.62940900    0.01629400
 C                  5.08113000   -0.02110900   -2.14623900
 H                  3.24004600    0.17042700   -3.24647900
 C                  5.73200600   -0.65706800   -1.08883900
 H                  5.54332200   -2.07832100    0.51966300
 H                  5.61023200    0.70455200   -2.75439900
 H                  6.76952500   -0.42712000   -0.87106300
 C                 -0.62207000   -0.89270000   -4.45335500
 H                 -1.51255600   -1.37051400   -4.87275000
 H                  0.23474200   -1.14883800   -5.08357400
 H                 -0.76434000    0.18940000   -4.48517300
 C                 -0.09885900   -2.87971200   -2.93011100
 H                  0.24461500   -3.25239400   -3.89951400
 H                 -0.96655600   -3.47523500   -2.64277500
 
86    
4-Co-t   SCF Done:  E(UM06) =  -4115.41226979
 Co                -0.15618100   -0.46499500   -0.12569500
 P                  0.20750000    2.12862600   -0.14891300
 P                 -2.58714900    0.28764200   -0.05047900
 C                 -1.36631000    2.70486500   -0.95827200
 H                 -1.34450100    2.35129300   -1.99132300
 H                 -1.42014700    3.79564900   -0.98359100
 C                  1.56976400    2.89571900   -1.11868500
 C                  2.88190700    2.68930500   -0.66692500
 C                  1.36355500    3.64505100   -2.28246300
 C                  3.96161400    3.22982400   -1.35854000
 H                  3.06348200    2.10350300    0.22906800
 C                  2.44848400    4.18421500   -2.97487500
 H                  0.36313100    3.81836500   -2.66047100
 C                  3.74732500    3.97937900   -2.51603200
 H                  4.97038400    3.06225800   -0.99608400
 H                  2.27347400    4.76517400   -3.87442600
 H                  4.58895400    4.39912500   -3.05683900
 C                  0.23603100    3.09881700    1.42480200
 C                  0.14927800    4.49986100    1.41185700
 C                  0.35692200    2.43265100    2.64982900
 C                  0.16910800    5.21760000    2.60376400
 H                  0.07444600    5.03796800    0.47250600
 C                  0.38124400    3.15829000    3.84300200
 H                  0.44381000    1.35306800    2.66872900
 C                  0.28371100    4.54678400    3.82328200
 H                  0.09985600    6.30027100    2.58167200
 H                  0.47904200    2.63196000    4.78701100
 H                  0.30186600    5.10839600    4.75159800
 C                 -3.67464600   -0.34554000   -1.38402100
 C                 -4.23563200   -1.62627600   -1.26384100
 C                 -3.89724300    0.38378900   -2.55935700
 C                 -5.01113700   -2.15665900   -2.29133300
 H                 -4.08563700   -2.20890400   -0.36179800
 C                 -4.67486900   -0.15074000   -3.58503200
 H                 -3.47182400    1.37189600   -2.68941200
 C                 -5.23298500   -1.42070700   -3.45472500
 H                 -5.44421200   -3.14494700   -2.17976600
 H                 -4.84274300    0.42942900   -4.48608300
 H                 -5.83836300   -1.83444600   -4.25403200
 C                 -3.49835900   -0.02690900    1.51207000
 C                 -4.89140400    0.10993400    1.59859900
 C                 -2.76527300   -0.35640500    2.65950900
 C                 -5.53709800   -0.08036900    2.81729700
 H                 -5.47327100    0.35960600    0.71833000
 C                 -3.41788100   -0.54421400    3.87764600
 H                 -1.68742100   -0.46244200    2.60084600
 C                 -4.80207600   -0.40770600    3.95758100
 H                 -6.61499400    0.02705600    2.87644000
 H                 -2.84255800   -0.80036900    4.76087500
 H                 -5.30930200   -0.55744400    4.90481400
 C                 -2.58576300    2.14990400   -0.20753200
 H                 -2.59927400    2.52957100    0.81655700
 H                 -3.51694600    2.47981800   -0.67363800
 I                  0.31007700   -0.47346000   -2.81761400
 C                  2.36391700   -2.69531800    0.68926500
 O                  0.57331400   -0.66483300    1.66799400
 N                  1.62418800   -3.09431300   -0.27548300
 C                  1.72349600   -2.75160800    2.08610700
 C                  1.25662400   -1.34354600    2.53532200
 O                  1.49689000   -0.93217200    3.66610300
 C                  0.29336200   -3.50208900    0.23123300
 C                 -0.77853000   -2.50362200   -0.19400200
 H                 -1.62687300   -2.48540200    0.48733400
 H                 -1.08293600   -2.57868100   -1.23219800
 C                  2.60337700   -3.42150600    3.14756600
 H                  2.02633500   -3.58745400    4.05928400
 H                  3.47208900   -2.82081100    3.41410200
 H                  2.95629800   -4.39205500    2.78829500
 C                  3.74247200   -2.20952500    0.43790700
 C                  4.36034100   -1.27846000    1.28580000
 C                  4.44660000   -2.66425800   -0.68836100
 C                  5.64308200   -0.80868400    1.00840300
 H                  3.84027600   -0.90290100    2.15918100
 C                  5.73046500   -2.20355200   -0.95722500
 H                  3.97440200   -3.38621200   -1.34387100
 C                  6.33326400   -1.27145700   -0.11019200
 H                  6.10258300   -0.08218800    1.67027600
 H                  6.26363500   -2.57185400   -1.82754000
 H                  7.33505900   -0.91154200   -0.32016400
 C                 -0.07866300   -4.86299200   -0.39217700
 H                 -1.04980800   -5.20801700   -0.02723000
 H                  0.67352800   -5.61018500   -0.12398000
 H                 -0.12199400   -4.79274900   -1.48085700
 C                  0.46476700   -3.59911000    1.76665300
 H                  0.65938600   -4.63701400    2.04855100
 H                 -0.41966400   -3.27669600    2.31820800
 
83    
5-Co-1-s   SCF Done:  E(RM06) =  -3926.82626717
 Co                -0.01846300   -0.32309300    0.50373700
 P                 -0.10197500    1.94034600   -0.56019400
 P                 -2.16035000   -0.54367700   -0.47554400
 C                 -1.21047500    1.62536100   -2.02527600
 H                 -0.65876100    0.98332800   -2.71285700
 H                 -1.43251200    2.55815500   -2.54796100
 C                  1.33346100    2.83710000   -1.30502500
 C                  1.87149500    2.43919700   -2.53756000
 C                  1.94268400    3.89976200   -0.62114600
 C                  2.97971600    3.09384100   -3.07331400
 H                  1.43763700    1.61377600   -3.08663800
 C                  3.05277500    4.54899400   -1.15639700
 H                  1.54586600    4.23548300    0.32995300
 C                  3.57516100    4.14897600   -2.38547600
 H                  3.37614900    2.77487300   -4.03177000
 H                  3.50602900    5.37103400   -0.61207100
 H                  4.43773600    4.65689200   -2.80397300
 C                 -1.01440000    3.30830400    0.29862500
 C                 -1.36186700    4.48593300   -0.38271700
 C                 -1.39123300    3.17615800    1.63945700
 C                 -2.07143300    5.49547600    0.26020900
 H                 -1.06988800    4.62407400   -1.41811700
 C                 -2.09941900    4.18999200    2.28696000
 H                 -1.13347800    2.28188800    2.19326200
 C                 -2.44249700    5.34956300    1.59817900
 H                 -2.33314900    6.39807400   -0.28207500
 H                 -2.38046200    4.06862900    3.32766900
 H                 -2.99400300    6.13835100    2.09881500
 C                 -2.41141200   -2.00392900   -1.57247400
 C                 -2.78162200   -3.23693500   -1.01614600
 C                 -2.18680600   -1.92993400   -2.95250800
 C                 -2.93011200   -4.36316700   -1.82201600
 H                 -2.97185200   -3.32256200    0.04755600
 C                 -2.34167800   -3.05679800   -3.75862500
 H                 -1.88835600   -0.99688000   -3.41470800
 C                 -2.71189300   -4.27649300   -3.19660800
 H                 -3.22225200   -5.30736200   -1.37431800
 H                 -2.16941900   -2.97801100   -4.82695300
 H                 -2.83173000   -5.15302000   -3.82459600
 C                 -3.68089100   -0.57928100    0.57760900
 C                 -4.93889200   -0.81248100    0.00009100
 C                 -3.60985000   -0.30964000    1.94758800
 C                 -6.09265000   -0.77259400    0.77775200
 H                 -5.02025400   -1.03186500   -1.05875900
 C                 -4.76586000   -0.27309000    2.72812300
 H                 -2.65185800   -0.12522000    2.41704300
 C                 -6.00869000   -0.50409800    2.14473000
 H                 -7.05784700   -0.95339000    0.31633100
 H                 -4.69050100   -0.06565300    3.79022900
 H                 -6.90850100   -0.47703300    2.75016300
 C                 -2.49983200    0.94593000   -1.55909800
 H                 -3.08336200    1.63357100   -0.94281300
 H                 -3.13314300    0.66841300   -2.40410200
 I                  1.35823900   -1.26425700   -1.52573500
 C                  2.40300100   -1.27014800    1.99525800
 N                  1.75043900   -2.22673200    2.56994500
 C                  1.60423700   -0.02520000    1.79874700
 C                  0.35378600   -1.78975000    2.71538000
 C                 -0.31915100   -2.11165100    1.36964000
 H                 -1.38238900   -2.32224300    1.50948900
 H                  0.14961600   -2.93433900    0.83229200
 C                  2.25430800    1.33946900    1.80164900
 H                  1.50246900    2.12938700    1.81059800
 H                  2.89713600    1.51153200    0.93808900
 H                  2.86177000    1.48600600    2.70482700
 C                  3.81491700   -1.51633900    1.58358900
 C                  4.82451000   -0.54511800    1.64435200
 C                  4.16938300   -2.80808400    1.15818800
 C                  6.13773900   -0.85340200    1.28781000
 H                  4.60637600    0.45388500    1.99307800
 C                  5.47646000   -3.11468500    0.79717300
 H                  3.39961000   -3.56825400    1.11187100
 C                  6.46950200   -2.13562100    0.85853400
 H                  6.90203200   -0.08545700    1.35112000
 H                  5.72120400   -4.11821100    0.46366600
 H                  7.49028700   -2.37180100    0.57584400
 C                 -0.30325000   -2.39611200    3.94705100
 H                 -1.34451500   -2.07488800    4.03883000
 H                  0.22559700   -2.09819500    4.85811900
 H                 -0.28916000   -3.48764400    3.88719400
 C                  0.40578300   -0.23956600    2.65715400
 H                  0.36880400    0.32700800    3.59709500
 H                 -0.55735900    0.16425300    2.15132800
 
83    
5-Co-1-t   SCF Done:  E(UM06) =  -3926.83365596
 Co                -0.31047800   -0.13684900    0.49037000
 P                  1.84031200   -1.20569400   -0.54885400
 P                  0.68481600    1.89143600   -0.74585300
 C                  2.05101000   -0.21279700   -2.10885700
 H                  1.19187300   -0.43302800   -2.74337500
 H                  2.95113600   -0.52127200   -2.64551900
 C                  1.88092200   -2.96350500   -1.10585900
 C                  1.46009700   -3.35575100   -2.38312200
 C                  2.28513600   -3.95260200   -0.19601000
 C                  1.45622700   -4.70329200   -2.74358300
 H                  1.13242400   -2.62078800   -3.10755700
 C                  2.27719200   -5.29701300   -0.55793200
 H                  2.61905900   -3.67497700    0.79828600
 C                  1.86287200   -5.67722500   -1.83440100
 H                  1.13400000   -4.98825000   -3.73976200
 H                  2.59725400   -6.04695200    0.15798300
 H                  1.85834200   -6.72455100   -2.11738300
 C                  3.48599800   -1.02785600    0.27702300
 C                  4.68264100   -1.31876500   -0.39617900
 C                  3.54949400   -0.60000600    1.60754100
 C                  5.90818800   -1.17659900    0.24747300
 H                  4.66270900   -1.66740100   -1.42326900
 C                  4.77830000   -0.46193600    2.25552200
 H                  2.63622100   -0.37186200    2.14377700
 C                  5.95877700   -0.74777700    1.57544800
 H                  6.82533100   -1.40355400   -0.28596000
 H                  4.80777700   -0.13146400    3.28831900
 H                  6.91550900   -0.64079200    2.07563000
 C                 -0.45839000    2.81489600   -1.85913900
 C                 -1.81302600    2.88023000   -1.50899100
 C                 -0.01774900    3.50793600   -2.99374800
 C                 -2.70812000    3.62422200   -2.27522400
 H                 -2.17205800    2.34328600   -0.63874700
 C                 -0.91676500    4.23884500   -3.76821500
 H                  1.02721000    3.49567600   -3.28166900
 C                 -2.26277700    4.29995700   -3.40999000
 H                 -3.75401300    3.66589000   -1.99018300
 H                 -0.56197700    4.76488300   -4.64828500
 H                 -2.96061000    4.87167500   -4.01269200
 C                  1.45485700    3.25917200    0.23932800
 C                  0.80502400    4.49040300    0.40214400
 C                  2.66885000    3.05116900    0.91193500
 C                  1.36223900    5.48972500    1.19914500
 H                 -0.13523200    4.68206900   -0.10053000
 C                  3.22675900    4.05327800    1.70225900
 H                  3.19229800    2.10507200    0.83325700
 C                  2.57605000    5.27750000    1.84875200
 H                  0.84487800    6.43755700    1.30575200
 H                  4.17035300    3.87241500    2.20645100
 H                  3.01062500    6.05716100    2.46528500
 C                  2.11135800    1.28842000   -1.80134900
 H                  3.02930600    1.52414200   -1.26149000
 H                  2.14996700    1.85541700   -2.73204700
 I                 -1.74130800   -0.89222900   -1.78132000
 C                 -2.41543500   -0.73404100    2.28390100
 N                 -2.20521000    0.21871400    3.13523800
 C                 -1.16636000   -1.47887000    1.91242900
 C                 -0.74133600    0.25950200    3.36194900
 C                 -0.14438800    1.05234600    2.18001700
 H                  0.90653200    1.31106100    2.33054700
 H                 -0.70875500    1.96560800    1.97390300
 C                 -1.19784900   -2.90225500    1.40480300
 H                 -0.20488500   -3.23000500    1.09136900
 H                 -1.86955400   -3.03471400    0.55802200
 H                 -1.51596600   -3.58516700    2.20666800
 C                 -3.79231600   -0.96086300    1.76772700
 C                 -4.35645800   -2.24026600    1.67460400
 C                 -4.58476300    0.14485800    1.42317700
 C                 -5.67174700   -2.40827900    1.24348000
 H                 -3.78146900   -3.11117500    1.96206600
 C                 -5.89399800   -0.02298600    0.98267900
 H                 -4.15969200    1.13889700    1.50154800
 C                 -6.44275300   -1.30264900    0.89003900
 H                 -6.09393500   -3.40642900    1.18695400
 H                 -6.48674800    0.84457400    0.71076400
 H                 -7.46381700   -1.43586600    0.54758700
 C                 -0.41057000    0.88379300    4.71697300
 H                  0.66930400    0.89454900    4.88774600
 H                 -0.87810400    0.32119600    5.52987100
 H                 -0.77201300    1.91450200    4.76788200
 C                 -0.30503200   -1.19074900    3.14527800
 H                 -0.60476500   -1.84591300    3.97921200
 H                  0.77034200   -1.30659700    2.99735700

83    
5-Co-s   SCF Done:  E(RM06) =  -3926.82850385
 Co                -0.27828500   -0.17523400   -0.65616800
 P                  0.68435200    0.02774400    1.38784900
 P                 -2.39703900    0.23339200    0.41197500
 C                 -0.70094100    0.18648500    2.65200300
 H                 -0.75587400    1.23413100    2.94473300
 H                 -0.41047100   -0.36719600    3.54534900
 C                  1.69815200    1.54823500    1.68419800
 C                  3.09724800    1.48200300    1.64721900
 C                  1.09344400    2.79779400    1.88624600
 C                  3.86960700    2.62769300    1.82915800
 H                  3.59549100    0.53492200    1.48490600
 C                  1.86715500    3.94091600    2.07554000
 H                  0.01471600    2.90230300    1.88700200
 C                  3.25815100    3.85970900    2.05000900
 H                  4.95144700    2.55212400    1.80031300
 H                  1.37812000    4.89542200    2.23878600
 H                  3.85980500    4.75029700    2.19724900
 C                  1.76042800   -1.28705000    2.11924600
 C                  2.19389900   -1.15528900    3.44861500
 C                  2.16875800   -2.40123000    1.38427100
 C                  3.01315900   -2.12160800    4.02413700
 H                  1.90717800   -0.29176800    4.03906300
 C                  2.99458100   -3.36786600    1.96077400
 H                  1.81532200   -2.53073400    0.37198100
 C                  3.41727400   -3.23100600    3.27983200
 H                  3.33820900   -2.00610600    5.05268900
 H                  3.30020400   -4.22878500    1.37554000
 H                  4.05704700   -3.98340000    3.72890800
 C                 -3.06604000    1.95825700    0.57494500
 C                 -3.59022400    2.57971100   -0.56986700
 C                 -3.07255300    2.67135000    1.77978600
 C                 -4.10332600    3.87186800   -0.51033000
 H                 -3.61142800    2.05151200   -1.51761100
 C                 -3.58354800    3.96941600    1.83800500
 H                 -2.69997800    2.22718400    2.69423800
 C                 -4.09816700    4.57423200    0.69509700
 H                 -4.50700200    4.32995000   -1.40715100
 H                 -3.58127400    4.50115800    2.78372700
 H                 -4.49583900    5.58238600    0.74173000
 C                 -3.93662600   -0.64547700   -0.10248800
 C                 -4.93052900   -0.98315300    0.82476200
 C                 -4.15401600   -0.91550400   -1.45857200
 C                 -6.11236300   -1.58946800    0.40199200
 H                 -4.79482200   -0.77988300    1.88095000
 C                 -5.34268400   -1.50674300   -1.88143000
 H                 -3.38963800   -0.67747200   -2.18971600
 C                 -6.32290500   -1.84929800   -0.95126000
 H                 -6.86981400   -1.85414400    1.13242400
 H                 -5.49670400   -1.70911200   -2.93616200
 H                 -7.24527600   -2.31723400   -1.27885900
 C                 -2.06305200   -0.31377800    2.15185900
 H                 -2.07624500   -1.40336800    2.11539400
 H                 -2.85149200    0.00348500    2.83672000
 I                 -1.02301400   -2.89724800   -0.38086100
 C                  2.27685500    0.55778400   -2.18251400
 N                  1.80351200    1.70050100   -2.55430400
 C                  1.25727500   -0.52970900   -2.07092200
 C                  0.33772500    1.56570900   -2.60283400
 C                 -0.14163500    1.76110800   -1.15685000
 H                 -1.12400900    2.22780500   -1.11521900
 H                  0.56413600    2.33996300   -0.56567100
 C                  1.68654100   -1.93280200   -2.46715800
 H                  0.82248900   -2.55410300   -2.69352000
 H                  2.26343700   -2.45771600   -1.70604300
 H                  2.31635900   -1.88962500   -3.36631300
 C                  3.74263900    0.39928300   -1.99010100
 C                  4.29619500   -0.56151400   -1.13411900
 C                  4.61765000    1.24894000   -2.68730200
 C                  5.67722800   -0.66938300   -0.97526100
 H                  3.65118600   -1.21996100   -0.56872600
 C                  5.99537300    1.13935800   -2.53412300
 H                  4.19880300    1.99472400   -3.35225300
 C                  6.53276900    0.17757100   -1.67636800
 H                  6.08199500   -1.41654500   -0.30026600
 H                  6.65284700    1.80224400   -3.08758000
 H                  7.60786700    0.08930800   -1.55842700
 C                 -0.28593600    2.50168600   -3.62792400
 H                 -1.37290300    2.38441400   -3.65583100
 H                  0.10451400    2.29613700   -4.62960800
 H                 -0.06236400    3.54338500   -3.38257000
 C                  0.08809900    0.05371100   -2.81569500
 H                 -0.02690600   -0.30057000   -3.84853100
 H                 -0.92390200   -0.26185900   -2.38216000
 
83    
5-Co-t   SCF Done:  E(UM06) =  -3926.82932154
 Co                -0.28342300   -0.20507900   -0.92562300
 P                  0.89273100   -0.07295900    1.47523800
 P                 -2.35472200    0.23885600    0.59643100
 C                 -0.49512200    0.15101500    2.72281900
 H                 -0.57148700    1.21632900    2.93576800
 H                 -0.20574500   -0.33012000    3.65848100
 C                  1.93573100    1.42925600    1.76738800
 C                  3.33209600    1.34201100    1.84941800
 C                  1.34458400    2.70187300    1.79860300
 C                  4.11121700    2.49031700    1.98271100
 H                  3.82016200    0.37604300    1.81434500
 C                  2.12450800    3.84815300    1.93599200
 H                  0.26960200    2.81857900    1.71798000
 C                  3.51138400    3.74693900    2.03080400
 H                  5.19024600    2.39838600    2.05025800
 H                  1.64420500    4.82059300    1.96654100
 H                  4.11852300    4.63961100    2.13762900
 C                  1.88572200   -1.43484700    2.23551000
 C                  2.35823800   -1.33577200    3.55404500
 C                  2.16404400   -2.59447800    1.50512700
 C                  3.09184000   -2.37229000    4.12305100
 H                  2.16557500   -0.44313300    4.13969300
 C                  2.90051500   -3.63382700    2.07659200
 H                  1.78020700   -2.70230900    0.49815200
 C                  3.36594300   -3.52455200    3.38400000
 H                  3.45038400   -2.28051300    5.14299100
 H                  3.10429200   -4.52837900    1.49744000
 H                  3.93782000   -4.33220100    3.82878800
 C                 -3.02387400    1.93708000    0.92958700
 C                 -3.65520100    2.61995700   -0.12277000
 C                 -2.94329600    2.56946600    2.17715400
 C                 -4.17933700    3.89544300    0.06430200
 H                 -3.76407900    2.14814400   -1.09323600
 C                 -3.46503200    3.85064200    2.36249200
 H                 -2.49502700    2.07130000    3.02709900
 C                 -4.07985600    4.51942500    1.30784200
 H                 -4.66770300    4.40047100   -0.76247400
 H                 -3.39387700    4.31901800    3.33856800
 H                 -4.48531100    5.51493900    1.45376900
 C                 -3.91544600   -0.64392700    0.16089800
 C                 -4.85085900   -1.02135300    1.13267300
 C                 -4.20386100   -0.87850300   -1.18886700
 C                 -6.04692400   -1.63152200    0.75879000
 H                 -4.65896000   -0.84189200    2.18458700
 C                 -5.40815000   -1.47246700   -1.56175100
 H                 -3.48039300   -0.61125800   -1.95095500
 C                 -6.32974700   -1.85457600   -0.58827500
 H                 -6.75986700   -1.92684500    1.52153900
 H                 -5.61967500   -1.64623700   -2.61163500
 H                 -7.26379700   -2.32477000   -0.87742600
 C                 -1.84641700   -0.41372500    2.25725300
 H                 -1.78493100   -1.49697300    2.13316900
 H                 -2.60921500   -0.21842900    3.01466300
 I                 -0.99473100   -2.88342100   -0.76171100
 C                  2.07054700    0.76408000   -2.38379800
 N                  1.66745500    1.97911100   -2.57764100
 C                  1.01919300   -0.26677000   -2.65876200
 C                  0.23285400    1.88764600   -2.92315000
 C                 -0.53511100    1.74167900   -1.59575800
 H                 -1.60094300    1.92995500   -1.72331400
 H                 -0.14680300    2.37680400   -0.79555600
 C                  1.43175600   -1.64180100   -3.14734600
 H                  0.56136500   -2.20529600   -3.48405000
 H                  1.93706100   -2.25237500   -2.40105200
 H                  2.11435500   -1.53718700   -4.00364200
 C                  3.48104200    0.49963000   -2.00108100
 C                  3.86344300   -0.61217200   -1.24011200
 C                  4.47903600    1.39557200   -2.41765400
 C                  5.19935300   -0.82390100   -0.90333000
 H                  3.11552800   -1.30772800   -0.88487700
 C                  5.81331900    1.18215900   -2.08816600
 H                  4.19182200    2.25791000   -3.00753300
 C                  6.18033000    0.06904100   -1.32944100
 H                  5.47054100   -1.68727400   -0.30450700
 H                  6.56990200    1.88285900   -2.42654400
 H                  7.22145600   -0.09969200   -1.07426700
 C                 -0.21753300    3.10444700   -3.73167700
 H                 -1.27187800    3.02009400   -4.00863700
 H                  0.36971400    3.19815100   -4.64925400
 H                 -0.09092100    4.02374200   -3.15352600
 C                  0.10942500    0.52546000   -3.60690600
 H                  0.52718100    0.52380100   -4.62670800
 H                 -0.92061800    0.16322300   -3.66053000
 
83    
6-Co-s   SCF Done:  E(RM06) =  -3926.81600606
 Co                -0.05062500   -0.13567700   -0.45200000
 P                  2.24309500    0.45385700   -0.10427200
 P                 -0.44230600    2.11353800   -0.13059200
 C                  2.33801600    2.25084800   -0.59454700
 H                  2.24747200    2.32312900   -1.67957600
 H                  3.29769800    2.68839700   -0.31125800
 C                  3.53391300   -0.40321000   -1.09481200
 C                  3.62372700   -1.80050200   -1.00891900
 C                  4.41897600    0.28389900   -1.93626200
 C                  4.58080600   -2.49212500   -1.74735200
 H                  2.94279700   -2.34482400   -0.36319400
 C                  5.37218300   -0.41338300   -2.67810700
 H                  4.37789700    1.36316900   -2.02145900
 C                  5.45549200   -1.80114700   -2.58565500
 H                  4.63967100   -3.57277200   -1.67031600
 H                  6.05066100    0.13216400   -3.32548800
 H                  6.19814000   -2.34149800   -3.16315200
 C                  2.96786800    0.54175700    1.59626100
 C                  4.35420600    0.54846600    1.79897600
 C                  2.12028100    0.68695200    2.70166100
 C                  4.87980600    0.70104900    3.08075700
 H                  5.02974600    0.42884000    0.95935500
 C                  2.64809100    0.85220700    3.98118900
 H                  1.04589700    0.64896700    2.56892900
 C                  4.02844600    0.85693100    4.17390600
 H                  5.95548200    0.69802600    3.22333200
 H                  1.97823500    0.96496800    4.82721700
 H                  4.43898600    0.97626500    5.17113400
 C                 -1.40706100    3.21659600   -1.24693800
 C                 -0.77445100    3.92389400   -2.27875300
 C                 -2.79722800    3.32227200   -1.10208500
 C                 -1.51750400    4.72520900   -3.14299500
 H                  0.29923100    3.86554700   -2.41785300
 C                 -3.53608100    4.12286900   -1.96972900
 H                 -3.30598100    2.78671400   -0.30917000
 C                 -2.89944700    4.82561000   -2.99177400
 H                 -1.01318300    5.27224200   -3.93227300
 H                 -4.61061600    4.19985800   -1.84254200
 H                 -3.47657800    5.45050400   -3.66478200
 C                 -1.30935900    2.26298600    1.48487600
 C                 -1.14901000    3.40221700    2.28850800
 C                 -2.16688400    1.23914300    1.90649700
 C                 -1.82737400    3.50623300    3.49941000
 H                 -0.50246400    4.21500800    1.97630000
 C                 -2.84682500    1.35195500    3.11973900
 H                 -2.30478100    0.36750800    1.27793400
 C                 -2.67590200    2.48009700    3.91812900
 H                 -1.69506900    4.39000300    4.11443900
 H                 -3.50855400    0.55341000    3.43810300
 H                 -3.20288900    2.56370400    4.86276600
 C                  1.19336600    2.99247000    0.10675600
 H                  1.38148200    3.02624900    1.18142800
 H                  1.12166900    4.02590300   -0.23424000
 I                  0.36102500   -2.31735600    1.31581700
 C                 -2.08294700   -1.89569300   -1.15596600
 N                 -1.89494800   -0.48108100   -1.04105000
 C                 -1.28927800   -2.60259100   -2.00053200
 C                 -0.14064500   -0.36341100   -2.45923100
 C                 -1.58117200    0.04447500   -2.39782300
 H                 -2.21931500   -0.41298000   -3.17084500
 H                 -1.72634100    1.12169200   -2.44276600
 C                 -1.42666300   -4.05359700   -2.37110400
 H                 -2.41836900   -4.45377000   -2.15884600
 H                 -0.69847100   -4.67972600   -1.83792700
 H                 -1.22915200   -4.19673700   -3.43952900
 C                 -3.21599900   -2.44618400   -0.36531700
 C                 -3.18594700   -3.71613000    0.23424700
 C                 -4.37250600   -1.66735000   -0.18537700
 C                 -4.27528600   -4.19706400    0.95872100
 H                 -2.28925800   -4.31783500    0.16508000
 C                 -5.46349800   -2.14728500    0.53477500
 H                 -4.40262200   -0.67629400   -0.62203300
 C                 -5.42212300   -3.41823200    1.10944800
 H                 -4.22169000   -5.17951100    1.41804000
 H                 -6.34791300   -1.52763000    0.64879600
 H                 -6.26936300   -3.79305400    1.67504600
 C                  0.79896700    0.39829900   -3.36302700
 H                  0.52814500    0.20955100   -4.41263800
 H                  1.84208100    0.09878300   -3.24505500
 H                  0.72885800    1.47826900   -3.21873500
 C                 -0.10487100   -1.88467300   -2.61954500
 H                  0.82862900   -2.31961700   -2.23424900
 H                 -0.08131300   -2.09592800   -3.70199300
 
83    
6-Co-t   SCF Done:  E(UM06) =  -3926.83495705
 Co                -0.18476000   -0.43477400    0.70527800
 P                 -2.19457800    0.68390300   -0.48366400
 P                  0.93827000   -0.00614400   -1.56805900
 C                 -1.62339500    0.91085900   -2.26225500
 H                 -1.25370700    1.93674900   -2.32061200
 H                 -2.48441500    0.85464500   -2.93235800
 C                 -2.65591100    2.41820400   -0.04747000
 C                 -3.77669100    3.05615100   -0.59898500
 C                 -1.81159700    3.14236600    0.80341400
 C                 -4.04757500    4.38868900   -0.29885900
 H                 -4.44278900    2.51267100   -1.25985700
 C                 -2.08409800    4.47828700    1.10046600
 H                 -0.93596700    2.66420400    1.22882400
 C                 -3.20253700    5.10210800    0.55251900
 H                 -4.91833000    4.87097800   -0.73088000
 H                 -1.42269800    5.02744400    1.76248900
 H                 -3.41667000    6.13983800    0.78602700
 C                 -3.81790500   -0.17748900   -0.62730900
 C                 -4.06156500   -1.10466000   -1.64878400
 C                 -4.80402600    0.01883900    0.35102500
 C                 -5.26550000   -1.80630800   -1.69905300
 H                 -3.31789300   -1.29003200   -2.41499800
 C                 -6.00618500   -0.68267200    0.29886400
 H                 -4.64529400    0.73523400    1.14985200
 C                 -6.24110800   -1.59832900   -0.72646400
 H                 -5.43757500   -2.51614600   -2.50139400
 H                 -6.76019500   -0.51058400    1.05990900
 H                 -7.17765300   -2.14432300   -0.76683800
 C                  1.63893700    1.66850300   -1.91170800
 C                  1.68775800    2.60849000   -0.87648300
 C                  2.10359300    2.03071700   -3.18517000
 C                  2.18281900    3.89260900   -1.11161400
 H                  1.34926200    2.33196700    0.11588500
 C                  2.59697500    3.31114100   -3.41724600
 H                  2.08971500    1.31129900   -3.99757300
 C                  2.63475900    4.24592800   -2.38027700
 H                  2.21696200    4.61278600   -0.30080200
 H                  2.95408900    3.58021700   -4.40599900
 H                  3.02018900    5.24366900   -2.56292900
 C                  2.18068600   -1.13185600   -2.32851400
 C                  1.89231000   -1.98507300   -3.40015300
 C                  3.46942300   -1.15365300   -1.77364700
 C                  2.87383300   -2.83635100   -3.90967900
 H                  0.90658400   -1.99637500   -3.84913400
 C                  4.44714500   -2.00157100   -2.28576400
 H                  3.71336300   -0.50392800   -0.93882500
 C                  4.15160200   -2.84708000   -3.35598600
 H                  2.63494200   -3.48990800   -4.74232000
 H                  5.43961000   -2.00381900   -1.84704900
 H                  4.91304800   -3.50962200   -3.75392600
 C                 -0.52669300   -0.06223400   -2.71789300
 H                 -0.89204700   -1.09091400   -2.72081000
 H                 -0.22248800    0.18515700   -3.73843200
 I                 -0.61457900   -3.08914400   -0.03806700
 C                  1.60292900   -0.06672100    2.73119400
 N                  0.46322800    0.61305600    2.21536100
 C                  1.45189100   -1.20487400    3.46329100
 C                 -1.01770700   -0.94233900    2.98509900
 C                 -0.67848100    0.49902900    3.15471400
 H                 -0.38264900    0.76797100    4.18442700
 H                 -1.48464400    1.16543300    2.84388900
 C                  2.54101600   -1.95115300    4.18522800
 H                  3.46593400   -1.38003000    4.26047000
 H                  2.77787500   -2.90256100    3.69251000
 H                  2.22041000   -2.20389400    5.20215200
 C                  2.91373900    0.56892000    2.42026800
 C                  4.01849400   -0.17132100    1.97402100
 C                  3.06408900    1.95648400    2.56934500
 C                  5.23756800    0.45056200    1.70568800
 H                  3.91774800   -1.23955600    1.81854800
 C                  4.28241500    2.57840400    2.30992400
 H                  2.21437800    2.54364500    2.89951100
 C                  5.37595900    1.82725900    1.87701200
 H                  6.07737800   -0.14157000    1.35599600
 H                  4.37919200    3.65122100    2.44408300
 H                  6.32475700    2.31151000    1.66976800
 C                 -2.42314800   -1.45074000    2.99915400
 H                 -2.79008700   -1.48506000    4.03859400
 H                 -2.49834600   -2.46054400    2.59186700
 H                 -3.10364300   -0.80477900    2.44351200
 C                  0.07006500   -1.80806100    3.54678200
 H                  0.07096700   -2.80297300    3.08299300
 H                 -0.17938400   -1.99065900    4.60867000
 
83    
7-Co-s   SCF Done:  E(RM06) =  -3926.82701280
 Co                -0.24827500   -0.49494900    0.65041600
 P                  0.66184800    0.59173400   -1.20708000
 P                 -2.36810700    0.11512300   -0.27439100
 C                 -0.59470500    0.20408100   -2.52437000
 H                 -0.47037900   -0.86112500   -2.71624500
 H                 -0.35352000    0.72291000   -3.45430300
 C                  2.23254800    0.03508800   -2.02901200
 C                  3.27080300    0.92655100   -2.33053800
 C                  2.37326000   -1.30918300   -2.40586800
 C                  4.41672900    0.48530100   -2.99173500
 H                  3.19649600    1.97107900   -2.05827200
 C                  3.51644700   -1.74428900   -3.07228500
 H                  1.59505200   -2.02452400   -2.16926200
 C                  4.54377300   -0.84930500   -3.36782900
 H                  5.20833100    1.19308700   -3.21476100
 H                  3.60213700   -2.78760000   -3.35840700
 H                  5.43396100   -1.18941400   -3.88653500
 C                  0.84156200    2.43280800   -1.25198100
 C                  0.25766800    3.21809100   -2.25619900
 C                  1.63981200    3.06517600   -0.28707700
 C                  0.44775300    4.59926000   -2.28132800
 H                 -0.35070300    2.77026300   -3.03135600
 C                  1.83482900    4.44463200   -0.31948000
 H                  2.12735700    2.48400700    0.48772400
 C                  1.23516300    5.21733700   -1.31246400
 H                 -0.01893100    5.18815100   -3.06381500
 H                  2.45855900    4.91353500    0.43440900
 H                  1.38475900    6.29159400   -1.33462400
 C                 -3.76215300   -1.09565700   -0.25081300
 C                 -3.85633900   -2.00981300    0.80467800
 C                 -4.78261400   -1.06699500   -1.21075500
 C                 -4.94228100   -2.87820300    0.89920100
 H                 -3.07329300   -2.05574600    1.55191100
 C                 -5.86115800   -1.94539300   -1.12478500
 H                 -4.75633600   -0.35270800   -2.02596100
 C                 -5.94428300   -2.85221300   -0.06904500
 H                 -4.99834600   -3.58034300    1.72438600
 H                 -6.63921700   -1.91475200   -1.88033500
 H                 -6.78624700   -3.53307500   -0.00089800
 C                 -3.23847000    1.66639300    0.26928400
 C                 -2.60968000    2.90737300    0.09152400
 C                 -4.48311000    1.63709900    0.91110800
 C                 -3.21350800    4.08397300    0.52826100
 H                 -1.63799200    2.96967000   -0.38319600
 C                 -5.08454200    2.81517000    1.35357500
 H                 -4.99421400    0.69604600    1.07112300
 C                 -4.45436700    4.04260100    1.16304500
 H                 -2.70950700    5.03255300    0.37488300
 H                 -6.05038100    2.76881900    1.84612200
 H                 -4.92428100    4.95845000    1.50573800
 C                 -2.03827600    0.49054800   -2.08992600
 H                 -2.29492800    1.53758700   -2.25172200
 H                 -2.72166000   -0.09733200   -2.70311200
 I                 -0.53284300   -3.00015800   -0.61636600
 C                  0.74382100    1.63685400    2.64393800
 N                  2.11960600    1.26181800    2.39995500
 C                 -0.33015500    0.60847500    2.40158600
 C                  1.35618700   -1.03450000    1.91838000
 C                  2.36881900    0.04385000    2.06029800
 C                 -1.65226600    1.01716700    3.01075200
 H                 -2.45241900    0.30224400    2.81165600
 H                 -1.98404200    1.99687300    2.66519600
 H                 -1.54348100    1.08106100    4.10300300
 C                  3.83005300   -0.27570600    1.89880600
 C                  4.72090300    0.15406900    2.89307200
 C                  4.34850600   -0.95551400    0.79037400
 C                  6.08629900   -0.09999000    2.79097900
 H                  4.33013000    0.69070200    3.74987300
 C                  5.71725600   -1.19818800    0.67971500
 H                  3.68965800   -1.27504000   -0.00662300
 C                  6.59063100   -0.77837900    1.68151200
 H                  6.75638400    0.23246900    3.57753400
 H                  6.09974200   -1.71515500   -0.19440100
 H                  7.65447000   -0.97601000    1.59772200
 C                  1.85443500   -2.46730800    1.99980600
 H                  2.43071000   -2.78579200    1.13214600
 H                  1.01614200   -3.15761900    2.09139100
 H                  2.49705700   -2.59951400    2.88019500
 C                  0.06630300   -0.79452600    2.61019800
 H                 -0.15401900   -1.30788500    3.55757900
 H                 -0.75257300   -1.41734200    1.97512000
 H                  0.68817000    1.95639400    3.69946700
 H                  0.52418500    2.54947900    2.07761300
 
83    
7-Co-t   SCF Done:  E(UM06) =  -3926.83119052 
 Co                 0.16839100   -0.30919800   -0.93952800
 P                 -0.81546400   -0.67326600    1.43241600
 P                  2.09820400    0.72770800    0.55282100
 C                  0.71333400   -0.90537900    2.46989400
 H                  1.19990900   -1.81833700    2.12432000
 H                  0.43941200   -1.04430000    3.51883900
 C                 -1.89887800   -2.09951100    1.86170800
 C                 -3.28769200   -1.96713700    1.71130400
 C                 -1.37995700   -3.33255400    2.27659100
 C                 -4.13547900   -3.03888000    1.97736000
 H                 -3.71430200   -1.02074700    1.39612200
 C                 -2.23229500   -4.40396700    2.54392800
 H                 -0.31227900   -3.47081100    2.39170500
 C                 -3.61002700   -4.26180700    2.39481500
 H                 -5.20722200   -2.91695900    1.85987200
 H                 -1.81419400   -5.35066600    2.86999900
 H                 -4.27075100   -5.09669900    2.60320100
 C                 -1.63617300    0.74046300    2.28881000
 C                 -2.03539100    0.66067000    3.63186000
 C                 -1.82354000    1.93988100    1.59637200
 C                 -2.60418400    1.76205900    4.26382400
 H                 -1.91014600   -0.26414700    4.18522800
 C                 -2.39363100    3.04498700    2.23028400
 H                 -1.52902100    2.00747300    0.55549100
 C                 -2.78256100    2.95755000    3.56402400
 H                 -2.90948600    1.68885600    5.30242200
 H                 -2.53383200    3.96955500    1.68048300
 H                 -3.22611600    3.81506000    4.05902400
 C                  3.82070100    0.10442900    0.34940400
 C                  4.68810000    0.73784400   -0.55249500
 C                  4.26926200   -1.03795500    1.02424200
 C                  5.97473700    0.24788900   -0.76312600
 H                  4.36878000    1.62810100   -1.08306900
 C                  5.55806300   -1.52598300    0.81285900
 H                  3.62097900   -1.56193800    1.71626700
 C                  6.41433900   -0.88597600   -0.08049200
 H                  6.63401000    0.75541900   -1.45957800
 H                  5.88930500   -2.40962900    1.34826400
 H                  7.41686700   -1.26699700   -0.24392700
 C                  2.33038100    2.55602100    0.67332300
 C                  1.42473900    3.41283500    0.03782000
 C                  3.36194400    3.11263400    1.44501500
 C                  1.54510300    4.79712700    0.16729700
 H                  0.61789100    3.00522300   -0.56008900
 C                  3.48055200    4.49348000    1.57434800
 H                  4.07874800    2.46921700    1.94322200
 C                  2.57291600    5.33913300    0.93457100
 H                  0.83624400    5.44727800   -0.33432700
 H                  4.28264900    4.90990100    2.17476200
 H                  2.66898500    6.41511200    1.03455500
 C                  1.64851800    0.30204600    2.32744900
 H                  1.16511700    1.19456400    2.72987800
 H                  2.55986200    0.15233500    2.91022200
 I                  1.28130600   -2.98390500   -0.80008900
 C                  0.24969700    1.59372500   -3.14379200
 N                 -1.14322300    1.89923200   -2.85539300
 C                  0.68895300    0.16363500   -2.94735800
 C                 -1.38828900   -0.48442100   -2.38080200
 C                 -1.89481200    0.91357100   -2.47760700
 C                  2.13096300   -0.11488000   -3.29794900
 H                  2.43059200   -1.12446000   -3.01480600
 H                  2.81894700    0.59057600   -2.82617000
 H                  2.26455100   -0.02675500   -4.38790700
 C                 -3.32051200    1.28643700   -2.18018600
 C                 -3.59244300    2.47795700   -1.49187700
 C                 -4.40586000    0.53986400   -2.65921000
 C                 -4.90026500    2.89327000   -1.25945300
 H                 -2.76292100    3.08457400   -1.15071400
 C                 -5.71703500    0.96145700   -2.44139500
 H                 -4.23566000   -0.36262600   -3.23155200
 C                 -5.97057800    2.13342600   -1.73172400
 H                 -5.08391500    3.81260700   -0.71261600
 H                 -6.54042800    0.37243700   -2.83230500
 H                 -6.99140200    2.45610400   -1.55465100
 C                 -2.29546000   -1.63532200   -2.00031800
 H                 -3.00223600   -1.38304900   -1.20961400
 H                 -1.70177300   -2.48616000   -1.66004900
 H                 -2.86849600   -1.98771700   -2.86948700
 C                 -0.37880900   -0.75307000   -3.49659500
 H                 -0.73571900   -0.50679300   -4.51409500
 H                 -0.05738800   -1.79586600   -3.48898500
 H                  0.40913400    1.84714400   -4.20749100
 H                  0.88040100    2.30391200   -2.59759200
 
83    
8-Co-t   SCF Done:  E(UM06) =  -3926.82684790 
 Co                 0.01005800   -0.16038600   -0.33277000
 P                  1.13606100    1.17659800    1.28438600
 P                 -1.85881500    1.31538900    0.03464500
 C                 -0.07199900    2.51013100    1.81036700
 H                  0.08901500    3.33479800    1.11091200
 H                  0.16866400    2.89873500    2.80260100
 C                  2.62376300    2.20886700    0.89149900
 C                  3.60293500    2.53926000    1.83698900
 C                  2.74400100    2.71837100   -0.40881700
 C                  4.67667100    3.35758600    1.48776600
 H                  3.53301200    2.15676700    2.84881600
 C                  3.81202400    3.54404700   -0.75508300
 H                  1.99668500    2.47262300   -1.15654800
 C                  4.78389300    3.86262100    0.19283000
 H                  5.42859400    3.60218900    2.23107800
 H                  3.88759500    3.93145400   -1.76583200
 H                  5.62040800    4.49884000   -0.07670400
 C                  1.63133900    0.30481500    2.83348000
 C                  1.03106000    0.52595700    4.07800800
 C                  2.62543900   -0.68153000    2.73251600
 C                  1.42081600   -0.21371500    5.19634800
 H                  0.25540700    1.27375400    4.19455600
 C                  3.02262900   -1.40901500    3.84997800
 H                  3.09475200   -0.88165800    1.77400000
 C                  2.41872400   -1.17844800    5.08734400
 H                  0.94283600   -0.02920800    6.15292800
 H                  3.79846600   -2.16150800    3.75374400
 H                  2.72284100   -1.75027500    5.95775100
 C                 -1.95149700    2.84251200   -1.00952100
 C                 -1.07257500    2.97717300   -2.09015100
 C                 -2.86178100    3.87692300   -0.74640400
 C                 -1.09606000    4.12096800   -2.89011700
 H                 -0.37167700    2.17986100   -2.31318800
 C                 -2.88513200    5.01874100   -1.54257200
 H                 -3.56339100    3.78969700    0.07694500
 C                 -2.00088600    5.14342100   -2.61614700
 H                 -0.40930800    4.20884700   -3.72557300
 H                 -3.59465100    5.81129000   -1.32786300
 H                 -2.02176700    6.03331300   -3.23659600
 C                 -3.62867300    0.78940900    0.10721200
 C                 -4.28385600    0.48019600    1.30625900
 C                 -4.32026100    0.60343500   -1.10047600
 C                 -5.59745000    0.00861000    1.29781500
 H                 -3.78338300    0.60787400    2.25862700
 C                 -5.63102800    0.13508500   -1.10738000
 H                 -3.83574600    0.83475400   -2.04389600
 C                 -6.27526900   -0.16530000    0.09369000
 H                 -6.08938700   -0.21938300    2.23792300
 H                 -6.14979700    0.00454800   -2.05160400
 H                 -7.29674700   -0.53089500    0.08914300
 C                 -1.52854600    2.03442400    1.73027400
 H                 -1.70902900    1.24417800    2.46299200
 H                 -2.21451300    2.85479100    1.95657400
 I                 -0.89319300   -2.33963900    1.27081000
 C                 -0.01096700   -4.29261800   -0.95323600
 N                  1.17991300   -3.61394900   -1.43939400
 C                 -1.25263700   -3.43681900   -0.70241700
 C                 -0.09716200   -1.55108300   -2.00286000
 C                  1.09737900   -2.41291600   -1.93615600
 C                 -2.50978200   -4.26590600   -0.49776100
 H                 -3.37467300   -3.64245100   -0.26457500
 H                 -2.38763200   -5.00309200    0.29877100
 H                 -2.72656400   -4.80962500   -1.42493200
 C                  2.40438600   -1.92350700   -2.50927900
 C                  2.89565000   -0.62888000   -2.30118300
 C                  3.18025000   -2.80244500   -3.27944700
 C                  4.11912600   -0.22575800   -2.83490300
 H                  2.32207000    0.06408300   -1.69602200
 C                  4.39678300   -2.40103400   -3.82694800
 H                  2.81692300   -3.81104400   -3.43841300
 C                  4.87424700   -1.10911100   -3.60528000
 H                  4.48264800    0.77902300   -2.64319500
 H                  4.97397600   -3.09877400   -4.42612800
 H                  5.82460300   -0.79552100   -4.02563200
 C                 -0.24696500   -0.75194100   -3.30803600
 H                  0.57974300   -0.06418000   -3.49464400
 H                 -1.16236400   -0.15242600   -3.28555300
 H                 -0.32237900   -1.40598900   -4.19460400
 C                 -1.36806400   -2.37891500   -1.78075900
 H                 -1.59865600   -2.95916900   -2.69724800
 H                 -2.24132800   -1.74316500   -1.61161500
 H                 -0.30272500   -5.05415300   -1.69671100
 H                  0.24389300   -4.86142700   -0.05278900
 
83    
9-Co-t   SCF Done:  E(UM06) =  -3926.82712410 
 Co                -0.09044000   -0.63716800   -0.65503400
 P                  0.77043500    0.97139600    1.29300500
 P                 -2.41350700    0.43659700    0.16717000
 C                 -0.77165300    1.58632400    2.16686800
 H                 -0.97750300    2.59046500    1.79377800
 H                 -0.56650400    1.69313400    3.23314200
 C                  1.67146300    2.54804500    0.92538600
 C                  1.00419400    3.61594200    0.30665200
 C                  3.04655500    2.66946700    1.16752900
 C                  1.68814800    4.77981600   -0.03634700
 H                 -0.05340600    3.54963500    0.07662700
 C                  3.73056500    3.83290000    0.81707200
 H                  3.59082300    1.85927500    1.63791800
 C                  3.05430300    4.89358500    0.21813200
 H                  1.15062300    5.59654700   -0.50684900
 H                  4.79409500    3.90849100    1.01870300
 H                  3.58647200    5.80004000   -0.05027200
 C                  1.81677000    0.21284100    2.60765200
 C                  2.59445300   -0.90294000    2.27825200
 C                  1.90999800    0.74544600    3.90120600
 C                  3.44763300   -1.47725000    3.21996400
 H                  2.52734200   -1.32871500    1.28496300
 C                  2.75324900    0.16445200    4.84514700
 H                  1.33856300    1.62348900    4.18108600
 C                  3.52431000   -0.94793700    4.50617000
 H                  4.04409400   -2.34186300    2.94851800
 H                  2.81205600    0.58454500    5.84376100
 H                  4.18241300   -1.39775600    5.24220500
 C                 -2.90933600    2.13468600   -0.37492500
 C                 -2.41790600    2.63466500   -1.58577200
 C                 -3.77329200    2.93828000    0.38483700
 C                 -2.77464000    3.90876700   -2.03071700
 H                 -1.75623500    2.02440500   -2.18939000
 C                 -4.12430200    4.21157800   -0.05410000
 H                 -4.18358900    2.57119600    1.31932800
 C                 -3.62517200    4.69994500   -1.26327200
 H                 -2.38602200    4.27857500   -2.97360200
 H                 -4.79061400    4.82268300    0.54575500
 H                 -3.90219700    5.69191000   -1.60422200
 C                 -4.03814300   -0.44080500    0.23249500
 C                 -4.29389600   -1.43009500    1.19238600
 C                 -5.01897800   -0.17261900   -0.73389400
 C                 -5.50500200   -2.12096900    1.19242300
 H                 -3.55015700   -1.67598400    1.93990000
 C                 -6.22626100   -0.86773100   -0.73363000
 H                 -4.84890400    0.58948600   -1.48649300
 C                 -6.47474300   -1.84338300    0.23097800
 H                 -5.68743700   -2.87837600    1.94785800
 H                 -6.97420600   -0.64238300   -1.48686400
 H                 -7.41625200   -2.38252200    0.23301100
 C                 -2.00017000    0.68917400    1.97047000
 H                 -1.81675600   -0.30153900    2.38933700
 H                 -2.85555700    1.11363000    2.50150000
 I                 -0.51755000   -2.85449700    1.06962400
 C                  0.26513300   -2.84586700   -2.58508300
 N                  1.68803800   -2.54359700   -2.51067700
 C                 -0.67955100   -1.67594900   -2.48957400
 C                  0.99727100   -0.20326000   -2.41059500
 C                  2.00881300   -1.29603300   -2.39570000
 C                 -2.14535500   -2.02080800   -2.52820300
 H                 -2.77673400   -1.13373900   -2.46910100
 H                 -2.43322900   -2.70186800   -1.72499800
 H                 -2.37666500   -2.51448200   -3.48562500
 C                  3.47551200   -1.01708200   -2.23683600
 C                  4.21294200   -1.72093200   -1.27537500
 C                  4.15492000   -0.12511700   -3.07688200
 C                  5.58548200   -1.52378200   -1.14079000
 H                  3.70127400   -2.43176700   -0.63654400
 C                  5.53086900    0.06138100   -2.95489800
 H                  3.61532300    0.41125800   -3.84850200
 C                  6.24970700   -0.63065400   -1.98115900
 H                  6.13663300   -2.07115300   -0.38287200
 H                  6.04101700    0.74696900   -3.62384300
 H                  7.31949000   -0.47867400   -1.88120300
 C                  1.42158900    1.24980200   -2.38706800
 H                  0.59084800    1.89583400   -2.09419400
 H                  1.72263900    1.58198000   -3.39078100
 H                  2.24680800    1.44931800   -1.70468100
 C                 -0.15760200   -0.55139100   -3.34489600
 H                  0.13884100   -0.83048100   -4.37280200
 H                 -0.87178500    0.27291600   -3.41545600
 H                  0.09491300   -3.32730200   -3.56484300
 H                  0.04407900   -3.61497100   -1.83969200
 
86    
A-Co-s   SCF Done:  E(RM06) =  -4115.40464161
 Co                 0.39260200    0.11111400    0.59575500
 P                  1.83289500   -0.88992800   -0.92995600
 P                  0.38575100    1.89703000   -0.89766100
 C                  1.31720000   -0.16808300   -2.55985500
 H                  0.32186300   -0.55275100   -2.78493600
 H                  1.98819700   -0.48964000   -3.35861500
 C                  1.73068300   -2.70615700   -1.15176700
 C                  2.76119700   -3.54924500   -0.71556500
 C                  0.58732500   -3.26896700   -1.73626100
 C                  2.65806200   -4.92865200   -0.88088800
 H                  3.64775500   -3.13496400   -0.25128400
 C                  0.49081900   -4.64912100   -1.90027000
 H                 -0.23808900   -2.63850100   -2.04120700
 C                  1.52556200   -5.48151300   -1.47648900
 H                  3.46500800   -5.57000600   -0.54274100
 H                 -0.39749900   -5.07188100   -2.35727200
 H                  1.44828300   -6.55579200   -1.60660000
 C                  3.62075000   -0.47448000   -0.84388500
 C                  4.50213700   -0.91535800   -1.84373400
 C                  4.10947000    0.33983300    0.18405700
 C                  5.84435000   -0.54962200   -1.80952900
 H                  4.14859100   -1.55235400   -2.64724900
 C                  5.45470300    0.70721600    0.21339000
 H                  3.44575500    0.68095200    0.96898300
 C                  6.32271500    0.26316300   -0.78083100
 H                  6.51622700   -0.89924400   -2.58605400
 H                  5.82038000    1.33884500    1.01575000
 H                  7.36932800    0.54749400   -0.75613600
 C                 -1.15685700    2.65035300   -1.53907200
 C                 -1.57221100    3.91952800   -1.11831500
 C                 -1.90893900    1.96648900   -2.50476400
 C                 -2.71102300    4.50264000   -1.67087300
 H                 -1.00464700    4.46184500   -0.37171600
 C                 -3.04395000    2.55533100   -3.05481000
 H                 -1.61533100    0.97651800   -2.83409100
 C                 -3.44532500    3.82574100   -2.64203100
 H                 -3.01876600    5.48978500   -1.34302000
 H                 -3.61314000    2.02104200   -3.80785600
 H                 -4.32751100    4.28445900   -3.07557900
 C                  1.34318300    3.28296200   -0.17452500
 C                  2.08984100    4.15485500   -0.98065500
 C                  1.30947400    3.48385400    1.21220400
 C                  2.79936600    5.20444900   -0.40377800
 H                  2.11746600    4.02886100   -2.05722200
 C                  2.01990600    4.54005500    1.78214700
 H                  0.72365400    2.82191800    1.83940300
 C                  2.76716800    5.39744700    0.97780100
 H                  3.37534300    5.87308400   -1.03445300
 H                  1.98931300    4.68778700    2.85631500
 H                  3.32261900    6.21559500    1.42380200
 C                  1.30939300    1.35821500   -2.43247200
 H                  2.33167400    1.73003600   -2.34313700
 H                  0.86645800    1.82809500   -3.31144000
 I                  1.48459500   -1.43318500    2.52707200
 C                 -2.14382600   -0.94737000    0.31682100
 O                 -0.72524200    1.00513500    1.83937200
 N                 -1.03112700   -0.72722000   -0.24623900
 C                 -2.59630100   -0.60573600    1.75641500
 C                 -1.79418500    0.55599400    2.41610000
 O                 -2.20935300    1.00955500    3.47885900
 C                 -4.73196100    0.91495100    1.24021100
 C                 -4.05421100    1.89038300    0.63649600
 H                 -2.97821500    1.87487400    0.52236300
 H                 -4.56280800    2.75348400    0.21942700
 C                 -2.35647100   -1.87295700    2.62687600
 H                 -2.57498500   -1.63460300    3.66921300
 H                 -1.32483900   -2.21477700    2.56241500
 H                 -3.01967000   -2.68313100    2.31790700
 C                 -3.09691300   -1.77190700   -0.53468800
 C                 -3.07601900   -3.16996800   -0.46424500
 C                 -3.96875800   -1.15115800   -1.43601500
 C                 -3.92829900   -3.93125800   -1.26409900
 H                 -2.38514300   -3.66811000    0.20631800
 C                 -4.81844100   -1.91419200   -2.23586700
 H                 -3.98610600   -0.07056800   -1.50554500
 C                 -4.80417900   -3.30586000   -2.14996000
 H                 -3.90110200   -5.01402800   -1.19711300
 H                 -5.48976400   -1.41842000   -2.92978000
 H                 -5.46574100   -3.89841800   -2.77332000
 C                 -6.23469400    0.96746800    1.37467200
 H                 -6.54029800    0.90869600    2.42563600
 H                 -6.70509100    0.11734700    0.86720800
 H                 -6.64790700    1.88535600    0.95210500
 C                 -4.11644600   -0.31388600    1.86834800
 H                 -4.65684700   -1.19312400    1.50005800
 H                 -4.33902200   -0.27318400    2.93956700
 
86    
A-Co-t   SCF Done:  E(UM06) =  -4115.39438632
 Co                 0.36437100    0.02982000    0.45798700
 P                  1.76713600   -1.08397400   -0.99520900
 P                  0.75844000    1.90867700   -0.95895300
 C                  1.51504600   -0.21924400   -2.62431000
 H                  0.49805300   -0.42234800   -2.96389300
 H                  2.19683400   -0.62145400   -3.37681700
 C                  1.40463300   -2.85324500   -1.29855000
 C                  2.12679000   -3.84876300   -0.62599700
 C                  0.35876700   -3.22752700   -2.15318800
 C                  1.81800000   -5.19277000   -0.81973800
 H                  2.93056100   -3.57848600    0.04789500
 C                  0.05490300   -4.57379100   -2.34435000
 H                 -0.22769800   -2.48045900   -2.67379400
 C                  0.78327400   -5.55863100   -1.67957200
 H                  2.38730000   -5.95357000   -0.29654200
 H                 -0.75299500   -4.84981400   -3.01333300
 H                  0.54487300   -6.60621300   -1.82952900
 C                  3.58460000   -0.95578100   -0.76405200
 C                  4.45450900   -1.61165000   -1.64875400
 C                  4.11724600   -0.13654100    0.23703500
 C                  5.83161400   -1.45143100   -1.52617300
 H                  4.06369700   -2.25468500   -2.42979200
 C                  5.49750900    0.02530100    0.35304000
 H                  3.45833200    0.36272500    0.93583100
 C                  6.35531000   -0.63201600   -0.52541100
 H                  6.49512500   -1.96705000   -2.21212700
 H                  5.89840800    0.66232200    1.13400600
 H                  7.42904900   -0.50893500   -0.43168700
 C                 -0.67951300    2.78449900   -1.69839900
 C                 -1.02421400    4.08212200   -1.30193300
 C                 -1.45008300    2.14345100   -2.67950200
 C                 -2.10523500    4.73436900   -1.89364800
 H                 -0.44551000    4.59299800   -0.54162100
 C                 -2.52546700    2.80052800   -3.27068500
 H                 -1.21833200    1.13183300   -2.99385100
 C                 -2.85423900    4.09899900   -2.88120200
 H                 -2.35635500    5.74282800   -1.58249100
 H                 -3.10602500    2.29656300   -4.03598400
 H                 -3.69151200    4.61028300   -3.34407200
 C                  1.78142500    3.22027200   -0.19021000
 C                  2.58820800    4.07438200   -0.95604800
 C                  1.75004400    3.36652400    1.20289300
 C                  3.35839000    5.05293000   -0.33318000
 H                  2.62038200    3.98425300   -2.03648900
 C                  2.51759600    4.35416500    1.81975700
 H                  1.11883400    2.71608500    1.79774200
 C                  3.32405800    5.19416000    1.05466400
 H                  3.98381400    5.70632400   -0.93212700
 H                  2.48670900    4.46160800    2.89874300
 H                  3.92517500    5.95793600    1.53658600
 C                  1.73453600    1.28671600   -2.42938300
 H                  2.78831800    1.48865200   -2.22718500
 H                  1.46154000    1.84007300   -3.32901200
 I                  1.39045800   -1.46912000    2.58043000
 C                 -2.45622600   -0.85960100    0.43701400
 O                 -0.70054800    1.09356600    1.67595900
 N                 -1.30043000   -0.80093200   -0.03470700
 C                 -2.76766000   -0.31159800    1.85374100
 C                 -1.76164400    0.78556500    2.35177200
 O                 -2.04668000    1.33984100    3.41069200
 C                 -4.64774500    1.45582900    1.20098900
 C                 -3.84594100    2.22030500    0.45904200
 H                 -2.79112300    2.01624900    0.32632100
 H                 -4.22585200    3.09832900   -0.05350600
 C                 -2.65671100   -1.51121300    2.83325200
 H                 -2.81499900   -1.15117800    3.85088600
 H                 -1.67303000   -1.97826500    2.78200600
 H                 -3.41877600   -2.26261300    2.61540100
 C                 -3.51086000   -1.58783500   -0.36778900
 C                 -3.66680000   -2.96930300   -0.20450900
 C                 -4.29104700   -0.91231400   -1.31203600
 C                 -4.61428600   -3.66093200   -0.95772200
 H                 -3.04452300   -3.50599200    0.50259500
 C                 -5.23430700   -1.60999900   -2.06463600
 H                 -4.16520100    0.15422100   -1.45083200
 C                 -5.40152800   -2.98278200   -1.88685300
 H                 -4.72981200   -4.73092700   -0.82130200
 H                 -5.83624400   -1.07826300   -2.79413600
 H                 -6.13687500   -3.52227100   -2.47436800
 C                 -6.11330500    1.77769900    1.36396900
 H                 -6.37446600    1.90311800    2.42091500
 H                 -6.74028100    0.96296200    0.98395900
 H                 -6.38857000    2.69250600    0.83578200
 C                 -4.21605700    0.22422400    1.96510700
 H                 -4.90075000   -0.59446500    1.71443500
 H                 -4.38471200    0.42163500    3.02848100
 
83    
C-Co-1-s   SCF Done:  E(RM06) =  -3926.83947632
 Co                -0.06672500   -0.07453000   -0.41310700
 P                  0.66689900    1.94859900    0.37123000
 P                 -2.22256800    0.68728300    0.34369300
 C                 -0.79179800    3.09141700    0.49600900
 H                 -1.05319700    3.40121600   -0.51804600
 H                 -0.53377800    3.99572400    1.05017800
 C                  2.00559200    2.98664200   -0.33746200
 C                  3.34087700    2.69856700   -0.02314200
 C                  1.72672100    4.05651600   -1.19860800
 C                  4.37342300    3.46357200   -0.55795600
 H                  3.57710000    1.88323900    0.65009000
 C                  2.76350000    4.82222700   -1.73005100
 H                  0.70711400    4.30889200   -1.46354400
 C                  4.08779200    4.52723300   -1.41365300
 H                  5.40155100    3.22996400   -0.30251000
 H                  2.53137300    5.65119600   -2.39008900
 H                  4.89294400    5.12481500   -1.82760800
 C                  1.18862200    1.69729400    2.12032600
 C                  1.28384500    2.77426900    3.01435000
 C                  1.49684800    0.40855000    2.57195600
 C                  1.66555400    2.55973600    4.33539500
 H                  1.06866900    3.78532100    2.68577600
 C                  1.88209800    0.19684800    3.89618800
 H                  1.46041400   -0.43354800    1.89009000
 C                  1.96254500    1.27004000    4.77943400
 H                  1.73390700    3.39997500    5.01811400
 H                  2.12121400   -0.80658000    4.23118200
 H                  2.26052700    1.10590400    5.80954200
 C                 -3.38867500    0.99664900   -1.04946200
 C                 -3.84245400   -0.10008000   -1.79861600
 C                 -3.80560300    2.28172200   -1.41792700
 C                 -4.70260400    0.08600600   -2.87712900
 H                 -3.51791700   -1.10136000   -1.53795600
 C                 -4.66050300    2.46594700   -2.50525300
 H                 -3.47874700    3.15476000   -0.86655900
 C                 -5.11266400    1.37042200   -3.23593800
 H                 -5.04884600   -0.77392600   -3.44095900
 H                 -4.97273800    3.46935400   -2.77510100
 H                 -5.77897600    1.51490600   -4.07981200
 C                 -3.22952800   -0.16919200    1.62848200
 C                 -2.55801700   -0.74863600    2.71422200
 C                 -4.62780900   -0.20934300    1.59377000
 C                 -3.27230900   -1.34760100    3.74819600
 H                 -1.47382100   -0.74083300    2.74954600
 C                 -5.34059900   -0.81968400    2.62608900
 H                 -5.16668200    0.23147400    0.76341400
 C                 -4.66627700   -1.38789200    3.70460200
 H                 -2.73960500   -1.79183400    4.58253900
 H                 -6.42457300   -0.84704900    2.58520100
 H                 -5.22253200   -1.86200400    4.50645700
 C                 -1.95763800    2.34859900    1.15023800
 H                 -1.72834100    2.13307700    2.19629900
 H                 -2.87157600    2.94534300    1.15182400
 I                 -1.04360000   -2.61925100   -0.41191400
 C                  2.21675000   -1.73341100   -1.37867400
 N                  1.66780500   -0.44678200   -1.26027100
 C                  2.05413000   -2.30445000   -2.59994400
 C                  1.15146800   -0.08700700   -2.63772200
 C                 -0.21247000    0.47643500   -2.28549500
 H                 -1.06941500   -0.06734300   -2.67931700
 H                 -0.33382000    1.55124500   -2.43288400
 C                  2.64087500   -3.56157900   -3.15737200
 H                  1.87175800   -4.32760100   -3.33074700
 H                  3.39567800   -3.99972400   -2.50195700
 H                  3.11005200   -3.37911200   -4.13301800
 C                  2.99962100   -2.28788500   -0.24897900
 C                  2.87599800   -3.62961100    0.14486000
 C                  3.90684700   -1.47794600    0.45242600
 C                  3.64153700   -4.14551000    1.18978200
 H                  2.15569300   -4.26427500   -0.35742500
 C                  4.67533800   -1.99169000    1.49430400
 H                  4.01259200   -0.44022900    0.15974300
 C                  4.54670400   -3.33014200    1.86833600
 H                  3.52466500   -5.18559100    1.47863600
 H                  5.37743500   -1.34707600    2.01423400
 H                  5.14287200   -3.73180800    2.68153500
 C                  2.08904700    0.90817700   -3.32935500
 H                  1.70307500    1.17018400   -4.32135600
 H                  3.08272300    0.46760200   -3.45850400
 H                  2.19625900    1.82477000   -2.75056600
 C                  1.13612600   -1.43097100   -3.41825500
 H                  1.47317800   -1.30325300   -4.45449900
 H                  0.12908400   -1.86937100   -3.46637100

83    
C-Co-1-t   SCF Done:  E(UM06) =  -3926.82849725
 Co                -0.16259200    0.02759800    1.08329600
 P                 -0.84864600   -1.57550000   -0.88561300
 P                  1.59241100    0.77196700   -0.82334700
 C                 -0.50583800   -0.46941300   -2.34410000
 H                 -1.15969300    0.40048200   -2.23983400
 H                 -0.77015500   -0.96348400   -3.28251200
 C                 -2.59658400   -2.11979300   -1.09060000
 C                 -3.09977300   -3.04648800   -0.16348700
 C                 -3.44674300   -1.64334400   -2.09586100
 C                 -4.41654400   -3.48926700   -0.24522500
 H                 -2.45762600   -3.43541400    0.62058100
 C                 -4.76839700   -2.08550000   -2.17244900
 H                 -3.09116500   -0.93143800   -2.83049900
 C                 -5.25683300   -3.00693600   -1.24948600
 H                 -4.78677800   -4.20923900    0.47705100
 H                 -5.41285800   -1.70890800   -2.95992400
 H                 -6.28420500   -3.34957800   -1.31192500
 C                  0.09332900   -3.11871700   -1.25706200
 C                  0.98145900   -3.62316800   -0.30021200
 C                 -0.07926200   -3.81277400   -2.46389200
 C                  1.68899500   -4.80128500   -0.54681500
 H                  1.12797600   -3.09120900    0.63400900
 C                  0.63141100   -4.98388000   -2.70920400
 H                 -0.77539200   -3.44823300   -3.21227100
 C                  1.51660900   -5.48064900   -1.74998200
 H                  2.37434000   -5.18304700    0.20263300
 H                  0.49206500   -5.51218800   -3.64660000
 H                  2.06692700   -6.39572000   -1.94226800
 C                  1.75327600    2.57593100   -1.17433300
 C                  1.69722800    3.44895400   -0.08020900
 C                  2.01432200    3.10251900   -2.44572900
 C                  1.90132300    4.81740200   -0.25045800
 H                  1.49691100    3.05737400    0.91158900
 C                  2.20142800    4.47224100   -2.61840500
 H                  2.08690900    2.45336400   -3.31086400
 C                  2.14848600    5.33223200   -1.52149600
 H                  1.85954600    5.47884000    0.60846100
 H                  2.39761200    4.86631100   -3.61013900
 H                  2.30111100    6.39769700   -1.65779500
 C                  3.36863400    0.23976900   -0.79324300
 C                  4.39710800    1.15514700   -0.53411800
 C                  3.70479500   -1.11159000   -0.96056000
 C                  5.72488100    0.73453500   -0.46547300
 H                  4.17105000    2.20443300   -0.38944300
 C                  5.03223800   -1.52835200   -0.90084400
 H                  2.93685100   -1.85703000   -1.13187600
 C                  6.04891900   -0.60688700   -0.65366000
 H                  6.50563300    1.46219700   -0.26891400
 H                  5.26907000   -2.57793800   -1.04169400
 H                  7.08266200   -0.93273000   -0.60525400
 C                  0.96679700   -0.03178500   -2.40217700
 H                  1.60372800   -0.89590000   -2.59594700
 H                  1.10618300    0.64239800   -3.24826900
 I                  1.99553500   -0.85929700    2.76261600
 C                 -2.63415600    1.72438600    1.09675600
 N                 -1.47256400    1.35033000    1.79342400
 C                 -3.78789500    1.51312300    1.78664900
 C                 -1.95083400    0.61738500    3.02233800
 C                 -1.56461700   -0.73703000    2.49683100
 H                 -2.32732900   -1.21169900    1.88588700
 H                 -0.98234800   -1.41237800    3.11473800
 C                 -5.17147200    1.97519500    1.46718700
 H                 -5.85689600    1.12769200    1.34036900
 H                 -5.21811900    2.58049300    0.56143400
 H                 -5.57620000    2.57034200    2.29606900
 C                 -2.54783900    2.40897300   -0.21589300
 C                 -3.33816600    1.99633000   -1.29898800
 C                 -1.71966300    3.52662700   -0.38436400
 C                 -3.30623000    2.68364400   -2.51151600
 H                 -3.97541900    1.12594700   -1.19042500
 C                 -1.69026900    4.21737100   -1.59332000
 H                 -1.10733300    3.86185900    0.44382100
 C                 -2.48299600    3.79881200   -2.66209100
 H                 -3.92407800    2.34625200   -3.33768900
 H                 -1.04365200    5.08160400   -1.70062800
 H                 -2.45885000    4.33712100   -3.60408700
 C                 -1.20520800    1.06284200    4.27334800
 H                 -1.54100300    0.48198600    5.13899100
 H                 -1.40305100    2.11935400    4.47702500
 H                 -0.12885500    0.92395300    4.16592900
 C                 -3.47594800    0.87396800    3.11538300
 H                 -3.73409500    1.55798800    3.93813800
 H                 -4.04119600   -0.04643700    3.29548700
 
83    
C-Co-2-s   SCF Done:  E(RM06) =  -3926.82072482 
 Co                 0.23751600   -0.20375400   -0.51598100
 P                  2.23065400    0.55317500    0.58573300
 P                 -0.86569700    1.41851600    0.84464400
 C                  1.75263700    2.13436300    1.44939900
 H                  1.66072900    2.93880800    0.71646100
 H                  2.51749000    2.43189900    2.16921100
 C                  3.68983000    0.99121000   -0.44378500
 C                  4.74517500    0.08339000   -0.60980300
 C                  3.72773300    2.20498700   -1.14490200
 C                  5.81864800    0.39051800   -1.44246800
 H                  4.73110900   -0.86527700   -0.08758800
 C                  4.80318900    2.50903600   -1.97789300
 H                  2.92379800    2.92562800   -1.05060400
 C                  5.85202900    1.60399700   -2.12826000
 H                  6.62949800   -0.32159100   -1.55509200
 H                  4.81829400    3.45551400   -2.50801300
 H                  6.68913400    1.84190200   -2.77605000
 C                  2.90350400   -0.40601900    2.01076500
 C                  4.06626800    0.00221800    2.68127100
 C                  2.19157100   -1.50748600    2.49897600
 C                  4.50719000   -0.68327900    3.81028300
 H                  4.63589000    0.85245200    2.32164600
 C                  2.62876000   -2.18688500    3.63628900
 H                  1.30419600   -1.84760200    1.97928600
 C                  3.78792700   -1.77817800    4.29135800
 H                  5.41144800   -0.36066400    4.31567200
 H                  2.06548300   -3.03846800    4.00300400
 H                  4.13219100   -2.30970600    5.17230000
 C                 -1.48111900    3.12064200    0.43510200
 C                 -2.15294000    3.85046600    1.43200900
 C                 -1.18969600    3.76210400   -0.77267100
 C                 -2.54240100    5.16703300    1.21037600
 H                 -2.37994900    3.39344400    2.38764200
 C                 -1.57763200    5.08494300   -0.99278900
 H                 -0.65065800    3.24846200   -1.55324700
 C                 -2.25905500    5.78897700   -0.00604500
 H                 -3.06546300    5.70792100    1.99178600
 H                 -1.34073200    5.55856300   -1.93934300
 H                 -2.56259200    6.81615400   -0.17736700
 C                 -2.22177900    0.65735700    1.83116700
 C                 -1.90611800   -0.33960600    2.76617500
 C                 -3.56395500    1.01796300    1.65726100
 C                 -2.90500000   -0.93006000    3.53626900
 H                 -0.88121200   -0.66191600    2.90903800
 C                 -4.55912800    0.43175600    2.43563700
 H                 -3.83918900    1.76679000    0.92485100
 C                 -4.23317600   -0.53741400    3.38142400
 H                 -2.64115100   -1.69302400    4.26079400
 H                 -5.59204000    0.73281900    2.29694300
 H                 -5.00963800   -0.99083600    3.98812300
 C                  0.41128800    1.87543300    2.13729800
 H                  0.49954900    1.05751200    2.85493800
 H                  0.06425600    2.75165100    2.68685100
 I                  1.75761000   -2.49291400   -1.17946200
 C                 -2.53921200   -0.78988100   -1.65404100
 N                 -1.14476100   -0.82757900   -1.71444700
 C                 -3.10278400    0.13490700   -2.48561300
 C                 -0.73461400    0.09997300   -2.82424700
 C                  0.47092000    0.77442400   -2.18717400
 H                  0.43431100    1.85372800   -2.07600800
 H                  1.43744300    0.46464400   -2.58455800
 C                 -4.52712100    0.32995800   -2.90358900
 H                 -4.98304500    1.21208400   -2.43200700
 H                 -5.16002600   -0.52642800   -2.66523900
 H                 -4.59227500    0.49819200   -3.98532700
 C                 -3.22355800   -1.85993500   -0.88963600
 C                 -4.52353400   -1.72460800   -0.37593500
 C                 -2.56447100   -3.08701200   -0.68894200
 C                 -5.15229800   -2.78244700    0.27811600
 H                 -5.04034100   -0.77728000   -0.45878900
 C                 -3.19141800   -4.14205300   -0.03152500
 H                 -1.55416600   -3.19473600   -1.06548400
 C                 -4.49336300   -3.99893100    0.45004000
 H                 -6.15725000   -2.64932400    0.66676900
 H                 -2.66246400   -5.08093100    0.10319400
 H                 -4.98401800   -4.82114400    0.96138000
 C                 -0.37346300   -0.70961400   -4.07822800
 H                 -0.05885300   -0.04291800   -4.88928500
 H                 -1.24047600   -1.28110200   -4.42481800
 H                  0.43666400   -1.40834800   -3.86438700
 C                 -1.99429300    0.96571000   -3.09593500
 H                 -2.14345900    1.13868600   -4.16846000
 H                 -1.94700500    1.96019100   -2.63416600
 
83    
C-Co-2-t   SCF Done:  E(UM06) =  -3926.83500653 
 Co                 0.02094000   -0.40800600    0.36926000
 P                 -0.69157100    2.11812800    0.42497500
 P                  2.21397100    0.53538000    0.36753000
 C                  0.78057800    2.82986100    1.31817300
 H                  0.74424000    2.46255700    2.34640800
 H                  0.73140800    3.92096500    1.36158500
 C                 -2.13907300    2.87279200    1.28681500
 C                 -3.38316000    2.87141400    0.63629700
 C                 -2.06622500    3.37724500    2.59217300
 C                 -4.51832100    3.36895900    1.26945200
 H                 -3.46593700    2.49175500   -0.37709700
 C                 -3.20597800    3.87436200    3.22550900
 H                 -1.12446200    3.39406200    3.12773500
 C                 -4.43387600    3.87174400    2.56854400
 H                 -5.46953700    3.36448000    0.74734700
 H                 -3.12833700    4.26661700    4.23427600
 H                 -5.31867300    4.25904300    3.06255800
 C                 -0.68293900    3.01438500   -1.19019200
 C                 -0.67799700    4.41418100   -1.27878800
 C                 -0.68644000    2.26060900   -2.36950800
 C                 -0.66764200    5.04182500   -2.52119800
 H                 -0.69053000    5.01910400   -0.37802300
 C                 -0.68118900    2.88987000   -3.61534900
 H                 -0.69792400    1.17679200   -2.31378200
 C                 -0.66915700    4.28019600   -3.69187200
 H                 -0.66176500    6.12543500   -2.57774600
 H                 -0.68623500    2.29252900   -4.52096800
 H                 -0.66387300    4.77190800   -4.65903300
 C                  3.28183200   -0.09121900    1.73173800
 C                  3.80219900   -1.38978100    1.61923500
 C                  3.53471100    0.63659800    2.89947600
 C                  4.57319600   -1.93524600    2.64154700
 H                  3.60348400   -1.97686700    0.72848000
 C                  4.30329200    0.08548500    3.92619900
 H                  3.14027000    1.63816400    3.02679900
 C                  4.82707000   -1.19835000    3.79934800
 H                  4.97404900   -2.93792500    2.53491100
 H                  4.49161000    0.66559100    4.82362700
 H                  5.42685000   -1.62438200    4.59670300
 C                  3.35066300    0.52950700   -1.09204200
 C                  2.80665300    0.46814000   -2.38050500
 C                  4.73519300    0.68862400   -0.94695300
 C                  3.62894800    0.56835800   -3.50135700
 H                  1.74145800    0.32438000   -2.50854100
 C                  5.55716700    0.78076600   -2.06915600
 H                  5.17798600    0.73877600    0.04122000
 C                  5.00606900    0.72184200   -3.34845000
 H                  3.19308900    0.51628600   -4.49373600
 H                  6.62820100    0.90001800   -1.94160600
 H                  5.64674200    0.79313900   -4.22130900
 C                  2.07512500    2.38780900    0.62880700
 H                  2.12108900    2.81748400   -0.37429400
 H                  2.95394500    2.76060500    1.15954100
 I                  0.82316400   -2.61785400   -1.42999800
 C                 -2.42636000   -2.32349000    0.58087800
 N                 -1.59557400   -1.30447600    0.92628000
 C                 -2.52926100   -3.26968100    1.59166100
 C                 -1.23404400   -1.42901800    2.36421300
 C                  0.20699000   -0.95104200    2.31220100
 H                  0.94862000   -1.74820200    2.34891700
 H                  0.46230300   -0.15034800    3.00736300
 C                 -3.42267200   -4.45783300    1.67870400
 H                 -2.85806400   -5.39136800    1.55615900
 H                 -4.21424300   -4.44580900    0.92920800
 H                 -3.88636600   -4.51107300    2.66983800
 C                 -3.12976400   -2.31497100   -0.71990800
 C                 -3.32166200   -3.48643400   -1.46640700
 C                 -3.62966600   -1.10726600   -1.22907900
 C                 -3.99770100   -3.45060000   -2.68377900
 H                 -2.91321000   -4.42526800   -1.11128800
 C                 -4.30678000   -1.07147000   -2.44534100
 H                 -3.49283600   -0.19703400   -0.65686800
 C                 -4.49412600   -2.24421200   -3.17696800
 H                 -4.12882500   -4.36564800   -3.25210000
 H                 -4.69048400   -0.12825600   -2.82058800
 H                 -5.02104000   -2.21806100   -4.12516300
 C                 -2.13969300   -0.52196400    3.21001300
 H                 -1.85540700   -0.59860500    4.26354100
 H                 -3.18988500   -0.81243700    3.11592800
 H                 -2.04503000    0.52033900    2.90434400
 C                 -1.53986500   -2.92040700    2.67120100
 H                 -1.92344700   -3.09225800    3.68127800
 H                 -0.63585000   -3.53486800    2.56072100
 
83    
C-Co-3-t   SCF Done:  E(UM06) =  -3926.84239642
 Co                -0.40234700   -0.69456500   -0.34158900
 P                 -2.31110500    0.11350900    0.72475800
 P                  0.83899100    1.01266700    1.31799600
 C                 -1.73365100    0.64079700    2.41438200
 H                 -1.35694200   -0.23942600    2.94121600
 H                 -2.56715400    1.04488700    2.99407000
 C                 -3.65038700   -1.11665200    1.00297000
 C                 -4.32806000   -1.60706800   -0.12328000
 C                 -3.99572100   -1.60463800    2.26781700
 C                 -5.33426200   -2.55813700    0.01555500
 H                 -4.06667500   -1.24602300   -1.11315500
 C                 -5.00337700   -2.56132800    2.40395500
 H                 -3.48972800   -1.24623600    3.15654900
 C                 -5.67451200   -3.03867900    1.28119600
 H                 -5.85119700   -2.92638500   -0.86443800
 H                 -5.26171600   -2.92981300    3.39126500
 H                 -6.45795300   -3.78135800    1.38926000
 C                 -3.26710800    1.61862200    0.21522500
 C                 -4.50631200    1.90269300    0.80913700
 C                 -2.73632200    2.52819000   -0.70572400
 C                 -5.19401800    3.07041900    0.48954900
 H                 -4.94340000    1.20908000    1.51911100
 C                 -3.42544700    3.69989500   -1.02292600
 H                 -1.79935900    2.30680100   -1.20041000
 C                 -4.65387500    3.97350300   -0.42691100
 H                 -6.15277000    3.27387000    0.95529500
 H                 -3.00192900    4.39265300   -1.74276800
 H                 -5.19128800    4.88244600   -0.67667000
 C                  1.89401100    0.37570400    2.70047300
 C                  2.20298200    1.16243600    3.82144200
 C                  2.39492000   -0.92819800    2.63906600
 C                  2.98454800    0.65111100    4.85326700
 H                  1.84567400    2.18447500    3.88877500
 C                  3.17979800   -1.44253100    3.67278700
 H                  2.17524400   -1.54424400    1.77760200
 C                  3.47340200   -0.65487200    4.78227100
 H                  3.21412600    1.27230000    5.71284600
 H                  3.55755400   -2.45754400    3.60786900
 H                  4.08160700   -1.05226400    5.58807400
 C                  1.73926300    2.54103800    0.78764900
 C                  1.05223800    3.57778400    0.13727900
 C                  3.13187600    2.64328600    0.91483100
 C                  1.73323200    4.69438600   -0.34278000
 H                 -0.02153700    3.52628300   -0.00265100
 C                  3.81235800    3.75879200    0.42891700
 H                  3.69311700    1.85371800    1.40049000
 C                  3.11634900    4.79096200   -0.19688200
 H                  1.17938100    5.48838900   -0.83303900
 H                  4.88976300    3.81925700    0.54370300
 H                  3.64633000    5.66039800   -0.57131000
 C                 -0.62882700    1.69739400    2.26744200
 H                 -1.01212900    2.56611600    1.72861200
 H                 -0.31387200    2.05266300    3.24975500
 I                 -1.05507500    0.07578000   -3.05591200
 C                  2.36935700   -2.14320000   -0.88730400
 N                  1.04188500   -1.91929800   -0.80224200
 C                  2.72256000   -3.39721500   -0.38148500
 C                  0.35549100   -3.12693400   -0.26991000
 C                 -0.59696100   -2.43844200    0.69858500
 H                 -0.19761500   -2.33662900    1.70862000
 H                 -1.60615900   -2.84778200    0.71869800
 C                  4.04291300   -4.08329500   -0.42574100
 H                  4.49287900   -4.14453700    0.57378700
 H                  4.75560700   -3.58626400   -1.08371700
 H                  3.92030200   -5.11719500   -0.76699300
 C                  3.29299300   -1.13911400   -1.46396300
 C                  4.53812700   -0.87863300   -0.87241700
 C                  2.93655500   -0.43455700   -2.62250600
 C                  5.40916500    0.05357200   -1.43216700
 H                  4.82012100   -1.38963900    0.04125200
 C                  3.81034900    0.49376700   -3.18260300
 H                  1.97032800   -0.61651600   -3.07830700
 C                  5.05000800    0.73918600   -2.59183000
 H                  6.36610700    0.24697400   -0.95867100
 H                  3.52190800    1.02738200   -4.08248100
 H                  5.72955300    1.46301000   -3.02965200
 C                 -0.39687300   -3.83683000   -1.40690400
 H                 -0.92081500   -4.71060500   -1.00917600
 H                  0.29511000   -4.17444100   -2.18353900
 H                 -1.13028100   -3.17131500   -1.86536200
 C                  1.51190300   -4.02386800    0.25226300
 H                  1.39734800   -5.07917200   -0.01551000
 H                  1.58925300   -3.99000700    1.34727800
 
83    
C-Co-4-t   SCF Done:  E(UM06) =  -3926.81175563
 Co                -0.26312500   -0.55875400    0.13048900
 P                 -0.03457500    1.85617800    0.89787900
 P                  2.61613100   -0.16026800    0.25106800
 C                  1.56476800    1.96627100    1.84278800
 H                  1.48059500    1.30254900    2.70640500
 H                  1.70179700    2.98173300    2.22389800
 C                 -1.31231700    2.45856700    2.07996900
 C                 -2.56985200    2.81881900    1.57136200
 C                 -1.10700200    2.50630000    3.46433800
 C                 -3.59048200    3.22642600    2.42501100
 H                 -2.75213700    2.79029600    0.50195100
 C                 -2.13351000    2.91234400    4.31847300
 H                 -0.14967700    2.23613100    3.89329000
 C                 -3.37573700    3.27304200    3.80320700
 H                 -4.55441300    3.50702600    2.01360400
 H                 -1.95540900    2.94816200    5.38814700
 H                 -4.17181500    3.58940100    4.46878000
 C                  0.10498700    3.23067600   -0.32197200
 C                  0.18788000    4.57063800    0.08527100
 C                  0.15215900    2.92753000   -1.68749100
 C                  0.31890500    5.58494700   -0.85865500
 H                  0.14143200    4.82639300    1.13879900
 C                  0.28362800    3.94710100   -2.63164300
 H                  0.08412100    1.89500900   -2.01434200
 C                  0.36713400    5.27448700   -2.21930900
 H                  0.38081700    6.61829600   -0.53356800
 H                  0.31729500    3.70030700   -3.68764500
 H                  0.46672700    6.06743200   -2.95317100
 C                  3.38382300   -1.26129900    1.51818800
 C                  3.54754500   -2.61519600    1.18324600
 C                  3.74416200   -0.84482200    2.80504500
 C                  4.07537600   -3.51896500    2.10014100
 H                  3.26566700   -2.96639100    0.19524300
 C                  4.26160400   -1.75440300    3.72949600
 H                  3.63071100    0.19022300    3.10606500
 C                  4.43209700   -3.09127700    3.38014300
 H                  4.20234400   -4.55903900    1.81782600
 H                  4.53416500   -1.41131600    4.72232500
 H                  4.83734600   -3.79644800    4.09821000
 C                  3.93051500   -0.06793400   -1.05253700
 C                  3.54946300    0.31425100   -2.34635300
 C                  5.28563600   -0.31666200   -0.79330800
 C                  4.50264000    0.45525200   -3.35427800
 H                  2.50246000    0.48646600   -2.57049300
 C                  6.23572300   -0.18276100   -1.80424500
 H                  5.60342700   -0.61831900    0.19826100
 C                  5.84749100    0.20549100   -3.08634100
 H                  4.19119700    0.75114300   -4.35093100
 H                  7.28100700   -0.37948700   -1.58811900
 H                  6.58867600    0.30889900   -3.87214300
 C                  2.75822600    1.56427600    0.96572000
 H                  2.82589100    2.22988000    0.10134800
 H                  3.69606700    1.68366600    1.51433600
 I                 -0.21745900   -1.19924600   -2.59448100
 C                 -3.08132900   -2.00348300    0.21035900
 N                 -2.12562400   -1.25928600    0.81939100
 C                 -3.19041200   -3.28647300    0.73749900
 C                 -1.51636100   -2.06237500    1.94003800
 C                 -0.02351000   -1.84386100    1.74219600
 H                  0.51856100   -2.72499500    1.39967700
 H                  0.49257900   -1.38900600    2.58853400
 C                 -4.23800800   -4.31493300    0.49009200
 H                 -3.82702000   -5.17537000   -0.05413200
 H                 -5.08157300   -3.92909800   -0.08241400
 H                 -4.61591600   -4.70978900    1.43999600
 C                 -3.93643600   -1.40481400   -0.84050200
 C                 -4.30779300   -2.12581200   -1.98383900
 C                 -4.39518500   -0.08714800   -0.69929400
 C                 -5.12128900   -1.54761300   -2.95586200
 H                 -3.93388600   -3.13305700   -2.12943100
 C                 -5.21055500    0.48999600   -1.66932000
 H                 -4.11416600    0.47805100    0.18192700
 C                 -5.57725300   -0.23898600   -2.80095000
 H                 -5.39156500   -2.11717000   -3.83909900
 H                 -5.56193200    1.50875400   -1.54114900
 H                 -6.21159800    0.21071000   -3.55781800
 C                 -2.04494200   -1.50745400    3.26877500
 H                 -1.77298700   -0.45639500    3.38664500
 H                 -1.61255900   -2.06800300    4.10322000
 H                 -3.13465100   -1.58680700    3.32898800
 C                 -2.04890600   -3.50307700    1.68688400
 H                 -2.35114900   -4.01932900    2.60410600
 H                 -1.28201100   -4.13015500    1.21313400

83    
C-Co-s   SCF Done:  E(RM06) =  -3926.82653100
 Co                -0.13621300   -0.02579100   -0.50366600
 P                  0.34355800    1.57223000    0.98461100
 P                 -2.42208700   -0.04276900    0.38462100
 C                 -1.26624500    2.05259800    1.77574700
 H                 -1.75353000    2.76241300    1.10745600
 H                 -1.09120000    2.58327800    2.71165700
 C                  1.08857900    3.16677400    0.43638500
 C                  2.48261900    3.31405700    0.45518500
 C                  0.30446900    4.23408000   -0.02264800
 C                  3.07613500    4.50027600    0.03190200
 H                  3.11160600    2.50562700    0.80747600
 C                  0.90139000    5.42242400   -0.44018600
 H                 -0.77549900    4.16127400   -0.06126100
 C                  2.28758600    5.55899900   -0.41569300
 H                  4.15648000    4.59590900    0.05479900
 H                  0.27780700    6.24048100   -0.78453400
 H                  2.75020000    6.48443400   -0.74171100
 C                  1.44632700    1.08661900    2.38209100
 C                  1.37306800    1.74848400    3.61725400
 C                  2.43119500    0.11245800    2.19222200
 C                  2.25494300    1.42338400    4.64473400
 H                  0.64147700    2.52804300    3.79339900
 C                  3.32197600   -0.20015400    3.21841700
 H                  2.49940000   -0.40607000    1.24681300
 C                  3.23218200    0.44808900    4.44775600
 H                  2.17986100    1.93776000    5.59691700
 H                  4.08226100   -0.95613600    3.05287100
 H                  3.92089800    0.19875700    5.24817100
 C                 -3.68668900    0.97863600   -0.51026800
 C                 -4.04626800    0.58938000   -1.80995600
 C                 -4.31019600    2.10283800    0.04479000
 C                 -5.00389100    1.29897000   -2.52930300
 H                 -3.58645200   -0.28042700   -2.26757600
 C                 -5.26384100    2.81899100   -0.67996300
 H                 -4.07590500    2.43167800    1.04990400
 C                 -5.61365600    2.42042600   -1.96732100
 H                 -5.27053000    0.97679900   -3.53042100
 H                 -5.73517100    3.68663800   -0.23016900
 H                 -6.35668000    2.97686500   -2.52866500
 C                 -3.41962000   -1.54387000    0.77965500
 C                 -3.50476400   -2.56684400   -0.17422700
 C                 -4.13847700   -1.66970700    1.97417500
 C                 -4.30319300   -3.68404900    0.05562300
 H                 -2.93496500   -2.50225800   -1.09466200
 C                 -4.92526700   -2.79736500    2.20925200
 H                 -4.09570600   -0.89642000    2.73222100
 C                 -5.01321300   -3.80396100    1.25029100
 H                 -4.36035900   -4.46683100   -0.69351500
 H                 -5.47220100   -2.88323600    3.14244500
 H                 -5.62920400   -4.67822400    1.43276600
 C                 -2.16690800    0.83055500    1.99779500
 H                 -1.68937500    0.11167400    2.66768100
 H                 -3.10357200    1.13321600    2.46861800
 I                  0.22988500   -2.45473700    0.74880000
 C                  2.08845400   -0.90418600   -2.12758200
 N                  1.51731300    0.23625500   -1.52764400
 C                  1.66524200   -1.13785400   -3.40071900
 C                  0.74286700    0.93692300   -2.62889100
 C                 -0.56051000    1.25145400   -1.91818100
 H                 -1.45352200    0.85354700   -2.40185000
 H                 -0.71657500    2.29704800   -1.65740300
 C                  2.16928200   -2.11519400   -4.41524400
 H                  1.42187600   -2.88847100   -4.63993000
 H                  3.07875400   -2.62542000   -4.09540600
 H                  2.38157300   -1.61356500   -5.36764700
 C                  3.21111800   -1.60031100   -1.45544500
 C                  3.35999100   -2.99497600   -1.49832900
 C                  4.19984400   -0.85230200   -0.79771400
 C                  4.46214400   -3.61806700   -0.91705400
 H                  2.59020900   -3.59825300   -1.96518000
 C                  5.30378500   -1.47307100   -0.21674700
 H                  4.09720700    0.22573800   -0.75704900
 C                  5.44110500   -2.86029300   -0.27423600
 H                  4.55122800   -4.69934100   -0.95733000
 H                  6.05977300   -0.87205700    0.27932100
 H                  6.29932700   -3.34561300    0.17958200
 C                  1.51947100    2.16011400   -3.12322800
 H                  0.95645600    2.68321200   -3.90469200
 H                  2.48304000    1.85539400   -3.54518300
 H                  1.70924800    2.85767400   -2.30706300
 C                  0.61038400   -0.12128200   -3.76041100
 H                  0.78553400    0.32137500   -4.74857900
 H                 -0.39169900   -0.57308800   -3.80424800
 
86    
C-Co-t   SCF Done:  E(UM06) =  -3926.84026807
 Co                -0.01439000   -0.32446600    0.44643400
 P                  0.41574700    1.97455000   -0.71098900
 P                  2.06521200   -0.91342400   -0.50186100
 C                  1.98518600    1.65441100   -1.69621200
 H                  2.81291200    2.07255400   -1.12368900
 H                  1.95071500    2.21036700   -2.63426600
 C                  0.89732200    3.45885900    0.29192100
 C                  0.05225300    4.57195300    0.40492700
 C                  2.07050100    3.43566900    1.06285300
 C                  0.37958300    5.63594800    1.24476300
 H                 -0.86570200    4.61737600   -0.16907800
 C                  2.39962600    4.50196800    1.89692500
 H                  2.73999800    2.58308000    1.02507700
 C                  1.55580800    5.60802600    1.99097100
 H                 -0.28710900    6.48984300    1.31020500
 H                  3.31644100    4.46443600    2.47638300
 H                  1.81179300    6.43763800    2.64157000
 C                 -0.74336400    2.70720900   -1.95189400
 C                 -0.33768000    3.66866400   -2.88960800
 C                 -2.08624900    2.31547600   -1.92695400
 C                 -1.25301500    4.21584500   -3.78488100
 H                  0.69219200    4.00851700   -2.91896000
 C                 -3.00577300    2.86937400   -2.81876700
 H                 -2.40849600    1.56077000   -1.22036700
 C                 -2.59031000    3.81727000   -3.75070100
 H                 -0.92361000    4.95646700   -4.50640500
 H                 -4.04310900    2.55251000   -2.78794700
 H                 -3.30288600    4.24525800   -4.44824200
 C                  3.63614500   -0.66648200    0.45161600
 C                  3.82043900   -1.41240700    1.62636500
 C                  4.65808600    0.20297500    0.04911200
 C                  4.98638800   -1.28955300    2.37639600
 H                  3.05572200   -2.10809500    1.95440400
 C                  5.82417000    0.33157900    0.80578900
 H                  4.57223000    0.77963900   -0.86352200
 C                  5.99164500   -0.41114500    1.97115600
 H                  5.10913100   -1.88041600    3.27816700
 H                  6.60296900    1.01078400    0.47475400
 H                  6.89939600   -0.31178500    2.55689200
 C                  2.31259400   -2.64053500   -1.10246400
 C                  1.65170000   -3.67899500   -0.43532700
 C                  3.18359600   -2.95435100   -2.15340300
 C                  1.86138100   -5.00588100   -0.80568300
 H                  0.95986700   -3.44780400    0.36723500
 C                  3.37997900   -4.28098100   -2.53374800
 H                  3.71579200   -2.17223700   -2.68349400
 C                  2.72258100   -5.30911600   -1.85916900
 H                  1.34324100   -5.80033500   -0.27863200
 H                  4.05066800   -4.51009600   -3.35543300
 H                  2.87993900   -6.34130500   -2.15432800
 C                  2.23431700    0.16761600   -2.00166500
 H                  1.48211000   -0.20784800   -2.69811200
 H                  3.20804600    0.04694600   -2.48184900
 I                 -1.30925500   -1.50338400   -1.75200700
 C                 -2.56155000   -0.83262000    2.22772100
 N                 -1.50512200   -0.13724800    1.74736600
 C                 -2.44862100   -1.10069200    3.59169900
 C                 -0.62931800    0.26608800    2.88722700
 C                  0.73873600    0.00452900    2.27571600
 H                  1.20053200   -0.91223000    2.64502400
 H                  1.44638800    0.83184100    2.33429800
 C                 -3.44261700   -1.73036400    4.50211800
 H                 -3.08439200   -2.70216200    4.86541600
 H                 -4.41160100   -1.88497900    4.02751200
 H                 -3.58782200   -1.10892300    5.39333700
 C                 -3.72344800   -1.18834200    1.37950100
 C                 -4.23834700   -2.49100800    1.35913700
 C                 -4.35617000   -0.20124300    0.61293100
 C                 -5.35297300   -2.80095800    0.58218100
 H                 -3.75349600   -3.27044800    1.93743200
 C                 -5.47610900   -0.50780500   -0.15474300
 H                 -3.97063100    0.81214100    0.63059700
 C                 -5.97646800   -1.80982800   -0.17471200
 H                 -5.73317000   -3.81715500    0.56771700
 H                 -5.95844500    0.26952000   -0.73839600
 H                 -6.84727100   -2.05004500   -0.77591000
 C                 -0.88327300    1.74254500    3.22025200
 H                 -0.23359900    2.05235800    4.04386500
 H                 -1.92182300    1.90408100    3.52439100
 H                 -0.67145300    2.37858700    2.36067400
 C                 -1.09976800   -0.63881400    4.05827600
 H                 -1.13693500   -0.12399300    5.02350900
 H                 -0.42992800   -1.50038500    4.18626500
 
83    
E-Co-1-s  SCF Done:  E(RM06) =  -3926.81971354
 Co                 0.29845000   -0.16463700   -0.47657700
 P                  0.96902000    1.92129000    0.48546500
 P                  2.12284200   -1.08627500    0.32520800
 C                  2.12528000    1.31559000    1.81554400
 H                  1.51107400    0.88162400    2.60582500
 H                  2.69879900    2.13835000    2.24737600
 C                 -0.12547600    3.14651700    1.32622500
 C                 -0.47044900    3.03751500    2.67958000
 C                 -0.67646400    4.19457000    0.57384600
 C                 -1.33224200    3.96336000    3.26730400
 H                 -0.07330000    2.23443300    3.28701700
 C                 -1.54229900    5.11375800    1.16123800
 H                 -0.41762700    4.30753800   -0.47355900
 C                 -1.87158500    5.00207100    2.51171100
 H                 -1.58090900    3.86853900    4.31925000
 H                 -1.95498000    5.91982200    0.56347700
 H                 -2.54213800    5.72055500    2.97132700
 C                  2.07330000    3.03594600   -0.50327700
 C                  2.74037200    4.10822700    0.11060200
 C                  2.25649500    2.82918500   -1.87424100
 C                  3.57544700    4.94099700   -0.62791200
 H                  2.60300000    4.30387400    1.16889300
 C                  3.08810900    3.66887300   -2.61739000
 H                  1.75509300    2.00286400   -2.36310500
 C                  3.75072300    4.72352000   -1.99589000
 H                  4.08727700    5.76215700   -0.13690400
 H                  3.21635900    3.49416200   -3.68054100
 H                  4.39933400    5.37547700   -2.57161600
 C                  1.92127900   -2.46884700    1.52112600
 C                  1.54682600   -3.72940000    1.03516000
 C                  2.10413200   -2.30053300    2.89788900
 C                  1.36238500   -4.79736100    1.90840000
 H                  1.40545300   -3.88425600   -0.02866600
 C                  1.92089500   -3.37235200    3.77087800
 H                  2.38788400   -1.33871000    3.30785200
 C                  1.54856900   -4.62150600    3.27976200
 H                  1.07504900   -5.76748100    1.51682500
 H                  2.06921400   -3.22661000    4.83565000
 H                  1.40584200   -5.45426300    3.96023200
 C                  3.39395500   -1.74792300   -0.84198200
 C                  4.43957600   -2.53952200   -0.34182200
 C                  3.38624100   -1.42209200   -2.20253000
 C                  5.45097500   -2.99128200   -1.18574100
 H                  4.46558100   -2.81267400    0.70679500
 C                  4.39835800   -1.87830300   -3.04631400
 H                  2.58689400   -0.81262700   -2.60451100
 C                  5.43194100   -2.66362600   -2.54101900
 H                  6.25197600   -3.60219100   -0.78300700
 H                  4.37355200   -1.62102800   -4.09999100
 H                  6.21752400   -3.02049400   -3.19870400
 C                  3.06255300    0.25962200    1.21705500
 H                  3.70951200    0.71302400    0.46211000
 H                  3.72236900   -0.17121000    1.97277400
 I                 -1.38678800   -0.65588100    1.64135200
 C                 -3.30897000   -0.70166700   -1.77391800
 N                 -2.54905900   -1.67194400   -2.16912100
 C                 -2.61576300    0.61452900   -1.79656300
 C                 -1.22493500   -1.13434000   -2.48424900
 C                 -0.17436000   -1.75957700   -1.51162900
 H                  0.63039300   -2.23210100   -2.07638800
 H                 -0.63917200   -2.49550000   -0.85801800
 C                 -3.19285600    1.93867000   -1.41447100
 H                 -2.40895800    2.68899300   -1.31231300
 H                 -3.72986200    1.87400900   -0.46420900
 H                 -3.90525300    2.30174900   -2.16134100
 C                 -4.70427100   -0.95511500   -1.34026200
 C                 -5.75173400   -0.07542500   -1.64628800
 C                 -4.99966100   -2.13022900   -0.63247300
 C                 -7.05846800   -0.36420500   -1.25618800
 H                 -5.55966800    0.82645100   -2.21431300
 C                 -6.30226000   -2.41269400   -0.23443600
 H                 -4.19322000   -2.81257300   -0.39225000
 C                 -7.33751600   -1.52972000   -0.54523700
 H                 -7.85839600    0.32331500   -1.51067900
 H                 -6.51060400   -3.32143700    0.32088100
 H                 -8.35384000   -1.74937700   -0.23509300
 C                 -0.88017700   -1.44330800   -3.95201800
 H                  0.10737100   -1.04645000   -4.19799000
 H                 -1.61240800   -0.99422400   -4.62859700
 H                 -0.86998400   -2.52333000   -4.11385700
 C                 -1.36350500    0.35708100   -2.23653200
 H                 -0.62653100    1.10300000   -2.50619100
 H                  1.19790300    0.16586000   -1.57842000

83    
E-Co-1-t  SCF Done:  E(UM06) =  -3926.80987727
 Co                 0.29971400    0.22301600   -0.63869200
 P                 -0.26706000   -1.13555700    1.40112500
 P                  2.63366200    0.25962600    0.42633000
 C                  1.39067700   -1.79064900    1.94008700
 H                  1.70747200   -2.52668300    1.19843900
 H                  1.30074000   -2.30353700    2.90073200
 C                 -1.37216300   -2.60492500    1.32710500
 C                 -0.89291800   -3.92009200    1.31436300
 C                 -2.75514000   -2.38532200    1.24262200
 C                 -1.78067600   -4.99303800    1.22962100
 H                  0.16891200   -4.12441200    1.37540900
 C                 -3.63778000   -3.45812800    1.15858900
 H                 -3.14886700   -1.37413300    1.24808400
 C                 -3.15261000   -4.76627900    1.15217000
 H                 -1.39441600   -6.00690600    1.22598100
 H                 -4.70474700   -3.27141900    1.09850300
 H                 -3.84068600   -5.60248000    1.08697800
 C                 -0.86137500   -0.25579200    2.91367600
 C                 -1.10014100   -0.95840800    4.10515800
 C                 -1.06329500    1.12795500    2.89093800
 C                 -1.52349900   -0.28624300    5.24769000
 H                 -0.96589300   -2.03443800    4.14171300
 C                 -1.48916400    1.80073100    4.03746400
 H                 -0.89027300    1.67784500    1.97296900
 C                 -1.71852800    1.09594000    5.21604800
 H                 -1.70458600   -0.84110500    6.16232900
 H                 -1.64308100    2.87418400    4.00479600
 H                 -2.05137500    1.61789100    6.10707900
 C                  4.02608200   -0.56908300   -0.44255300
 C                  4.53746900    0.04420000   -1.59671400
 C                  4.55292900   -1.80241600   -0.04386000
 C                  5.56397700   -0.55375400   -2.32084200
 H                  4.13736900    0.99661500   -1.93056700
 C                  5.57820700   -2.40328400   -0.77524900
 H                  4.17727500   -2.30972400    0.83677500
 C                  6.08786900   -1.78107000   -1.91174500
 H                  5.95295200   -0.06288100   -3.20675300
 H                  5.97709800   -3.35873200   -0.45096900
 H                  6.88635800   -2.24870000   -2.47796300
 C                  3.34271800    1.87494700    0.95816200
 C                  4.68655100    2.01138100    1.33445700
 C                  2.49837700    2.99046200    1.02672600
 C                  5.17119100    3.24020800    1.77592500
 H                  5.35761500    1.16125000    1.27893700
 C                  2.98640600    4.21885600    1.47126200
 H                  1.45931100    2.89841900    0.73111000
 C                  4.32250600    4.34554900    1.84560900
 H                  6.21256700    3.33449000    2.06554600
 H                  2.32297800    5.07603400    1.51863100
 H                  4.70349700    5.30213300    2.18755900
 C                  2.41092800   -0.64752500    2.04167000
 H                  2.06817300    0.10462000    2.75648700
 H                  3.37117700   -1.01064300    2.41458100
 I                  0.61657300   -2.06132500   -2.17564200
 C                 -3.01395500    2.04068200   -1.59857500
 N                 -2.16937700    1.52837900   -2.43374200
 C                 -2.49966300    3.26972000   -0.92713600
 C                 -0.96795600    2.38787800   -2.44268600
 C                  0.28474400    1.55609300   -2.13845400
 H                  1.13787200    2.20254600   -1.91396500
 H                  0.53321900    0.91716700   -2.98674800
 C                 -3.18614700    4.09234800    0.12246800
 H                 -2.47341700    4.76055000    0.60974100
 H                 -3.64393500    3.46560100    0.89276400
 H                 -3.98255600    4.71565800   -0.29564100
 C                 -4.33049700    1.39904900   -1.36053800
 C                 -5.49034300    2.15044400   -1.12504400
 C                 -4.43578600    0.00029700   -1.40770900
 C                 -6.72122300    1.52109700   -0.94598400
 H                 -5.44457200    3.23232600   -1.10646900
 C                 -5.66301300   -0.62759200   -1.21991500
 H                 -3.54250900   -0.58681000   -1.58504000
 C                 -6.81153800    0.13125800   -0.98864600
 H                 -7.61000300    2.11967300   -0.77533600
 H                 -5.72368900   -1.71044200   -1.25294100
 H                 -7.76887600   -0.35819900   -0.84270600
 C                 -0.83783000    3.01232100   -3.85530400
 H                  0.03458600    3.66854400   -3.90323800
 H                 -1.72637600    3.59751700   -4.10580500
 H                 -0.71919300    2.22450300   -4.60195500
 C                 -1.26453800    3.44953600   -1.42304300
 H                 -0.57189500    4.23981800   -1.15715700
 H                 -0.26736200    1.46883200   -0.01066500
 
83    
E-Co-2-t  SCF Done:  E(UM06) =  -3926.80303443
 Co                -0.72492100    0.03137800    0.52754200
 P                 -1.38798200    1.72192500   -1.01496300
 P                 -1.78549700   -1.63122600   -0.80987700
 C                 -1.77252400    0.67411100   -2.50283500
 H                 -0.81457500    0.40832800   -2.95377900
 H                 -2.32821200    1.25389700   -3.24353900
 C                 -0.13937700    2.94243700   -1.59059100
 C                  0.48966400    3.73002100   -0.61477500
 C                  0.21046100    3.11864600   -2.93494000
 C                  1.43862000    4.68103400   -0.97793400
 H                  0.24208300    3.59606500    0.43357100
 C                  1.16659000    4.06892100   -3.29489700
 H                 -0.25637100    2.52674600   -3.71327500
 C                  1.78012800    4.85181000   -2.32003000
 H                  1.91634200    5.28353900   -0.21269000
 H                  1.42820400    4.19514300   -4.34018000
 H                  2.52326400    5.58977100   -2.60280200
 C                 -2.90054800    2.74007500   -0.74667200
 C                 -3.31972000    3.67326500   -1.70720400
 C                 -3.64572600    2.58842500    0.42788400
 C                 -4.47207800    4.42565800   -1.50005600
 H                 -2.74702900    3.82224500   -2.61669500
 C                 -4.79742700    3.34856500    0.63467700
 H                 -3.32056500    1.88178300    1.18248000
 C                 -5.21368900    4.26404900   -0.32849800
 H                 -4.78963900    5.14064500   -2.25176200
 H                 -5.36525000    3.22398300    1.55071200
 H                 -6.10948500    4.85462700   -0.16757800
 C                 -0.78561300   -2.90114500   -1.69494400
 C                 -0.51659800   -4.12189700   -1.05884600
 C                 -0.22405200   -2.65819400   -2.95508100
 C                  0.28117900   -5.08125600   -1.67577600
 H                 -0.93856300   -4.33187700   -0.08208400
 C                  0.57592800   -3.62070100   -3.57026800
 H                 -0.40896000   -1.72685600   -3.47707800
 C                  0.83092300   -4.83322200   -2.93350400
 H                  0.47233400   -6.02339900   -1.17297900
 H                  0.99668300   -3.41933600   -4.54968700
 H                  1.45264200   -5.58108600   -3.41392400
 C                 -3.17677400   -2.60375100   -0.11086400
 C                 -3.91643000   -3.48087700   -0.91828800
 C                 -3.51725500   -2.46054600    1.23855300
 C                 -4.98831700   -4.18929200   -0.38330600
 H                 -3.65728500   -3.61633400   -1.96287800
 C                 -4.58665600   -3.17992700    1.77270100
 H                 -2.94870000   -1.78590400    1.86850500
 C                 -5.32405100   -4.04094000    0.96353800
 H                 -5.55980200   -4.85948100   -1.01666800
 H                 -4.84026800   -3.06526400    2.82124600
 H                 -6.15682900   -4.59836200    1.37927300
 C                 -2.57511900   -0.58851600   -2.13930400
 H                 -3.55500500   -0.30998700   -1.74543500
 H                 -2.75143800   -1.19055100   -3.03308200
 I                 -1.12609700    0.48422900    3.15016000
 C                  4.44426400   -0.34265800    0.75389800
 N                  3.51634500   -0.96402900    0.10321200
 C                  3.95117400    0.27439300    2.02093300
 C                  2.24893400   -0.82471500    0.86106100
 C                  1.22500500   -0.08341200   -0.03171100
 H                  1.24769900   -0.54653800   -1.02456100
 H                  1.56130100    0.95130900   -0.16139100
 C                  4.75081500    1.02217400    3.04782900
 H                  4.18027800    1.12577900    3.97306300
 H                  5.01568900    2.03093500    2.71522800
 H                  5.68787300    0.51050900    3.28556500
 C                  5.84125600   -0.32729300    0.25128200
 C                  6.69111700    0.77171000    0.43911000
 C                  6.32760300   -1.43357100   -0.46358200
 C                  7.98788100    0.76509200   -0.07316600
 H                  6.33721400    1.64987800    0.96464700
 C                  7.62394200   -1.44368600   -0.96722700
 H                  5.67365400   -2.28432800   -0.61540400
 C                  8.46068900   -0.34310100   -0.77299200
 H                  8.62743500    1.62923700    0.07458100
 H                  7.98431200   -2.31148700   -1.51031900
 H                  9.47261100   -0.35046400   -1.16470900
 C                  1.78476200   -2.24205600    1.24902300
 H                  0.88486100   -2.19790200    1.86625100
 H                  2.56249900   -2.76320900    1.81455400
 H                  1.56215300   -2.82408500    0.35344800
 C                  2.64364100   -0.02715000    2.07420700
 H                  1.95165900    0.23743700    2.86372900
 H                 -2.28474800    0.07609200    0.52926200
 

83    
E-Co-s  SCF Done:  E(RM06) =  -3926.81292892
 Co                -0.74713500   -0.14085700   -0.70980100
 P                  0.25322700   -0.59217600    1.46581100
 P                 -2.56584700    0.51021100    0.33923100
 C                 -1.18861600   -0.37261500    2.65271400
 H                 -1.04192500    0.57293400    3.17368100
 H                 -1.15415400   -1.15079500    3.41572200
 C                  1.51385800    0.59244900    2.13367200
 C                  2.86048800    0.22118100    2.25105200
 C                  1.15689800    1.91265600    2.44827400
 C                  3.81641800    1.13558000    2.69080900
 H                  3.16949700   -0.78898700    2.01042200
 C                  2.11294700    2.82402900    2.89230100
 H                  0.13084600    2.24990300    2.35158800
 C                  3.44631900    2.43852600    3.01697600
 H                  4.85186300    0.82436800    2.78084200
 H                  1.81190300    3.83723800    3.13727000
 H                  4.19041000    3.14841200    3.36235100
 C                  0.99350900   -2.21963700    1.92555300
 C                  1.12287200   -2.61869000    3.26387200
 C                  1.49977600   -3.05035000    0.92116700
 C                  1.73206700   -3.82899000    3.58528600
 H                  0.76421500   -1.98392300    4.06681900
 C                  2.11921900   -4.25811400    1.24385400
 H                  1.39299500   -2.75951400   -0.11530300
 C                  2.23208900   -4.65154400    2.57512600
 H                  1.82124000   -4.12626800    4.62493100
 H                  2.50477300   -4.89242600    0.45254500
 H                  2.70817700   -5.59345800    2.82689000
 C                 -2.74304700    2.29944500    0.74930600
 C                 -2.94510700    3.20537900   -0.30306200
 C                 -2.71716500    2.78620400    2.06149300
 C                 -3.10690000    4.56340800   -0.04819600
 H                 -2.98901100    2.84909100   -1.32677700
 C                 -2.87711400    4.14967400    2.31470300
 H                 -2.59295800    2.11639000    2.90339900
 C                 -3.06839900    5.04064800    1.26267300
 H                 -3.26489100    5.24923700   -0.87371500
 H                 -2.85651000    4.50863200    3.33816400
 H                 -3.19343600    6.09974700    1.46088200
 C                 -4.21757200    0.15076700   -0.39682200
 C                 -5.36251100    0.25423800    0.40715400
 C                 -4.36313100   -0.16140000   -1.75163000
 C                 -6.62609000    0.03388600   -0.13476600
 H                 -5.28130300    0.51592900    1.45631600
 C                 -5.63079900   -0.36951600   -2.29390400
 H                 -3.48289800   -0.25242400   -2.37435900
 C                 -6.76307600   -0.27677000   -1.48755500
 H                 -7.50268900    0.11107400    0.49972000
 H                 -5.72985800   -0.61049700   -3.34711900
 H                 -7.74838800   -0.44349300   -1.91006100
 C                 -2.55482900   -0.41054600    1.95333200
 H                 -2.80992700   -1.43537700    1.67685200
 H                 -3.33909000   -0.05244600    2.62391400
 I                 -1.60818200   -2.71010900   -1.13617500
 C                  3.20009100    0.77671500   -1.85640300
 N                  2.38078700    1.78039900   -1.86515000
 C                  2.52527700   -0.51817500   -2.14874800
 C                  1.03410800    1.28267400   -2.15921300
 C                  0.06948800    1.61120200   -0.98542900
 H                 -0.61133300    2.41659800   -1.25361900
 H                  0.63268100    1.90689500   -0.10155400
 C                  3.17359900   -1.85427700   -2.34138500
 H                  2.47815200   -2.55609100   -2.80381500
 H                  3.50304000   -2.29317900   -1.39528500
 H                  4.05840700   -1.77839300   -2.97913400
 C                  4.65233600    0.98236200   -1.63778400
 C                  5.45349700    0.03303500   -0.98808900
 C                  5.24767800    2.17675200   -2.07376000
 C                  6.81084000    0.27225300   -0.77909500
 H                  5.01927600   -0.88717100   -0.61821300
 C                  6.60337200    2.41139300   -1.87198200
 H                  4.63280700    2.91454800   -2.57555500
 C                  7.39102500    1.45855600   -1.22363700
 H                  7.41346600   -0.47032900   -0.26663000
 H                  7.04798700    3.33695900   -2.22289200
 H                  8.44917200    1.64038400   -1.06699300
 C                  0.54563900    1.92404200   -3.47291500
 H                 -0.46500900    1.58154400   -3.70380700
 H                  1.20309600    1.66213000   -4.30578700
 H                  0.53165800    3.01095400   -3.36809000
 C                  1.22220400   -0.21086700   -2.32613400
 H                  0.45498800   -0.89103900   -2.68250500
 H                 -1.50473000    0.20508500   -1.92161200
 
83    
G-Co-s  SCF Done:  E(RM06) =  -3926.81321410
 Co                 0.13596600   -0.22552300   -0.02767100
 P                 -1.38841100    0.24559400   -1.52239400
 P                  1.34275500    1.47246600   -0.88842400
 C                 -0.74387900    1.57836200   -2.68344100
 H                 -1.16383300    2.51565500   -2.31058500
 H                 -1.12919400    1.44166500   -3.69628700
 C                 -3.08513400    0.92902300   -1.20262600
 C                 -4.07910100    0.93061000   -2.19314600
 C                 -3.34645000    1.56692200    0.01377100
 C                 -5.30250400    1.55748400   -1.96913400
 H                 -3.90147800    0.43911800   -3.14353900
 C                 -4.57143600    2.19717600    0.23765200
 H                 -2.59451100    1.56363300    0.79333300
 C                 -5.55102600    2.19452200   -0.75241200
 H                 -6.06145200    1.55004700   -2.74502500
 H                 -4.75905500    2.68253500    1.18968900
 H                 -6.50445700    2.68273300   -0.57815900
 C                 -1.76642300   -1.19462900   -2.62152300
 C                 -1.05689000   -1.42723600   -3.80757000
 C                 -2.72343100   -2.13872200   -2.22022600
 C                 -1.30390000   -2.56509800   -4.57548200
 H                 -0.30558500   -0.72354200   -4.14819400
 C                 -2.97069900   -3.27432800   -2.98759200
 H                 -3.28143200   -1.98580500   -1.30334700
 C                 -2.26133600   -3.49269300   -4.16868200
 H                 -0.74738600   -2.72278100   -5.49380000
 H                 -3.71919300   -3.98961600   -2.66174700
 H                 -2.45409400   -4.37721300   -4.76680700
 C                  1.01869100    3.15205000   -0.18392600
 C                  0.22954100    3.26223600    0.96575000
 C                  1.53181300    4.31863000   -0.76947800
 C                 -0.04416700    4.51262200    1.52196000
 H                 -0.17061000    2.36471400    1.42528800
 C                  1.25379000    5.56666400   -0.21852700
 H                  2.15836100    4.25760700   -1.65351200
 C                  0.46521700    5.66578400    0.92952800
 H                 -0.65614800    4.58179700    2.41532000
 H                  1.65479000    6.46209400   -0.68224200
 H                  0.25172600    6.63907300    1.35917900
 C                  3.19117400    1.44076600   -0.98612900
 C                  3.86494100    0.85396400   -2.06602300
 C                  3.94843900    1.93372100    0.08693700
 C                  5.25733600    0.77772300   -2.07919300
 H                  3.31479300    0.45108800   -2.90838500
 C                  5.33906800    1.85226200    0.07500500
 H                  3.45272700    2.39340700    0.93529100
 C                  5.99888500    1.27611700   -1.00998200
 H                  5.76034900    0.32745800   -2.92878200
 H                  5.90657100    2.24282100    0.91345200
 H                  7.08209400    1.21599000   -1.02140600
 C                  0.78641200    1.64802100   -2.65854100
 H                  1.21738400    0.81629000   -3.21886500
 H                  1.15269100    2.57276900   -3.11073400
 I                  2.29318700   -1.81350800    0.56007700
 C                 -0.79492400   -1.65323700    2.25847100
 N                 -0.86165400   -1.69747100    0.86639500
 C                 -0.18539800   -2.59110100    3.04270600
 C                  0.84227200   -3.52496500    0.92463300
 C                 -0.47049100   -2.99302700    0.34376900
 H                 -1.22109600   -3.76011200    0.61518000
 H                 -0.42941800   -2.95671600   -0.74537400
 C                 -0.27519400   -2.66063200    4.54558900
 H                 -0.96707600   -1.92993700    4.96487000
 H                  0.70151600   -2.50035300    5.02473900
 H                 -0.60983900   -3.65547100    4.87479500
 C                 -1.47980700   -0.48422100    2.90343300
 C                 -0.74550500    0.50423800    3.57137000
 C                 -2.87648000   -0.38339000    2.90149200
 C                 -1.38480500    1.56109500    4.22043600
 H                  0.33739100    0.43360000    3.59005200
 C                 -3.52152800    0.65973900    3.56456700
 H                 -3.46082300   -1.13984100    2.38747600
 C                 -2.77751100    1.63893300    4.22386900
 H                 -0.79594500    2.31797900    4.72948200
 H                 -4.60596200    0.70992200    3.56514600
 H                 -3.27874100    2.45273700    4.73838900
 C                  1.39858200   -4.75562400    0.23280300
 H                  0.67007800   -5.56914100    0.33390800
 H                  2.33430600   -5.09405500    0.68271000
 H                  1.56455100   -4.58657900   -0.83270400
 C                  0.67242500   -3.67592500    2.43016700
 H                  1.65158900   -3.71827000    2.92538300
 H                  0.22944000   -4.67187300    2.60466100

83    
G-Co-t  SCF Done:  E(UM06) =  -3926.83924632
 Co                 0.03287100   -0.10259900   -0.23467300
 P                  1.76806000    1.44440900    0.33499200
 P                 -1.21506300    0.91153500    1.45956100
 C                  1.05964100    2.52193900    1.69977100
 H                  0.56636600    3.35663800    1.19517500
 H                  1.84801500    2.95140600    2.32208800
 C                  2.25724900    2.68071100   -0.94586800
 C                  3.02152800    3.81832300   -0.64698000
 C                  1.83426700    2.47188100   -2.26359200
 C                  3.34699800    4.73059200   -1.64702000
 H                  3.36859500    3.99339400    0.36633700
 C                  2.16594500    3.38479300   -3.26648300
 H                  1.25091400    1.58734600   -2.49960700
 C                  2.91947500    4.51516300   -2.95893900
 H                  3.93658100    5.60897700   -1.40487900
 H                  1.83411400    3.21125400   -4.28501700
 H                  3.17632400    5.22679200   -3.73683600
 C                  3.40518100    0.89051500    0.99542800
 C                  3.64290100    0.73200900    2.36690800
 C                  4.41484300    0.51750900    0.09472000
 C                  4.86043400    0.22809400    2.82575600
 H                  2.88674300    1.00479700    3.09426300
 C                  5.63051900    0.01671500    0.55364400
 H                  4.25838800    0.62970400   -0.97334900
 C                  5.85813100   -0.13068700    1.92233400
 H                  5.02664800    0.12008700    3.89276400
 H                  6.40169900   -0.25648500   -0.15939800
 H                  6.80518400   -0.52082700    2.28006300
 C                 -2.29896400    2.32438300    0.96119600
 C                 -2.46640800    2.60004800   -0.40031700
 C                 -2.93408400    3.14843200    1.90256700
 C                 -3.24705600    3.68020500   -0.81562400
 H                 -1.99271900    1.96400000   -1.14118900
 C                 -3.71223000    4.22576800    1.48862900
 H                 -2.83091500    2.94568000    2.96368900
 C                 -3.86852500    4.49491400    0.12735100
 H                 -3.36883100    3.88024000   -1.87496500
 H                 -4.19809500    4.85522600    2.22710500
 H                 -4.47560400    5.33494900   -0.19389700
 C                 -2.27847500   -0.03988800    2.63442300
 C                 -1.74140000   -0.68780600    3.75585600
 C                 -3.63763800   -0.22738600    2.34105800
 C                 -2.54556700   -1.48503700    4.56974600
 H                 -0.69318500   -0.57813700    4.00940200
 C                 -4.43881300   -1.02621100    3.15371000
 H                 -4.07775600    0.25786100    1.47646100
 C                 -3.89618200   -1.65696000    4.27293100
 H                 -2.11215400   -1.97122100    5.43779600
 H                 -5.48899300   -1.15401200    2.91172400
 H                 -4.52035900   -2.27779300    4.90702700
 C                  0.03977700    1.75829600    2.55934300
 H                  0.53892500    0.98017700    3.14086500
 H                 -0.44772200    2.43127100    3.26882400
 I                  0.84213700   -2.73245800    0.87829600
 C                 -0.80618600   -1.89443700   -2.35061300
 N                  0.29682100   -1.13497700   -1.96717200
 C                 -0.81900300   -3.26000400   -2.42723400
 C                  1.45418600   -3.24486000   -1.26949900
 C                  1.52239400   -1.90247200   -1.99736700
 H                  1.76934800   -2.18942000   -3.03968100
 H                  2.35448400   -1.30015100   -1.62627700
 C                 -1.91429700   -4.09725700   -3.03632300
 H                 -2.67337600   -3.50257400   -3.54482900
 H                 -2.43063500   -4.71943800   -2.29039000
 H                 -1.50144800   -4.80059400   -3.77487500
 C                 -2.01342000   -1.08143100   -2.70583000
 C                 -3.26121700   -1.31779100   -2.11210200
 C                 -1.91638400   -0.04191700   -3.64248300
 C                 -4.37847000   -0.55587900   -2.45391100
 H                 -3.34997600   -2.10382000   -1.36926200
 C                 -3.03185300    0.71574800   -3.99489500
 H                 -0.95568700    0.15901000   -4.10386400
 C                 -4.26949600    0.46108300   -3.40176300
 H                 -5.33335000   -0.75487300   -1.97697000
 H                 -2.93670800    1.50437200   -4.73532900
 H                 -5.13843200    1.05255900   -3.67247000
 C                  2.78165500   -3.97627400   -1.17157800
 H                  3.13512700   -4.19002000   -2.18763000
 H                  2.68654000   -4.92967900   -0.64783600
 H                  3.54461600   -3.37806800   -0.67034300
 C                  0.33814400   -4.07922800   -1.89378200
 H                 -0.01873800   -4.83292500   -1.17865000
 H                  0.79700100   -4.66915500   -2.70663300
 
86    
TS1-Co-1-s  SCF Done:  E(RM06) =  -4115.30651493
 Co                -0.66037600   -0.05085600   -0.23806000
 P                 -2.68312900   -0.43118500    0.68386300
 P                 -0.61266000    1.85532400    1.00443500
 C                 -2.75249900    0.56924100    2.25632600
 H                 -2.13165100    0.06335400    2.99925400
 H                 -3.76720600    0.60717600    2.65795900
 C                 -3.15457300   -2.12505000    1.23262800
 C                 -4.17836200   -2.85141000    0.61383000
 C                 -2.42436400   -2.73019600    2.26592700
 C                 -4.47709300   -4.14794900    1.03073500
 H                 -4.74691200   -2.41095200   -0.19624600
 C                 -2.72581300   -4.02478100    2.68167300
 H                 -1.61000800   -2.20188300    2.75006700
 C                 -3.75469200   -4.73710100    2.06609900
 H                 -5.27525300   -4.69666200    0.54173800
 H                 -2.15386500   -4.47677000    3.48521700
 H                 -3.98847200   -5.74593300    2.38952300
 C                 -4.11730800    0.21200700   -0.27437900
 C                 -5.40498900    0.27550400    0.27919500
 C                 -3.90869800    0.70129600   -1.56908300
 C                 -6.45970000    0.81621800   -0.45114500
 H                 -5.59348200   -0.10222500    1.27852000
 C                 -4.96671400    1.24304200   -2.29902400
 H                 -2.91682100    0.65320700   -2.00373400
 C                 -6.24193500    1.30125200   -1.74165700
 H                 -7.45125400    0.85901500   -0.01298600
 H                 -4.79144500    1.61919300   -3.30137500
 H                 -7.06516100    1.72309000   -2.30865400
 C                  0.68491300    1.95730200    2.31506600
 C                  1.29515500    3.15811300    2.69970700
 C                  1.03920900    0.77403300    2.97839100
 C                  2.22610100    3.17559000    3.73750600
 H                  1.05287200    4.08352300    2.19108600
 C                  1.96101700    0.79621100    4.02280500
 H                  0.61530800   -0.17077600    2.66023800
 C                  2.55608700    1.99741900    4.40552600
 H                  2.69315200    4.11266800    4.02237700
 H                  2.22281400   -0.12777900    4.52771100
 H                  3.27982900    2.01387800    5.21368700
 C                 -0.54290900    3.46303400    0.10813600
 C                 -1.06473100    4.63485400    0.67906800
 C                  0.01974200    3.52692400   -1.17340300
 C                 -1.01742000    5.84215100   -0.01414100
 H                 -1.51248000    4.61619200    1.66628300
 C                  0.06830400    4.73875100   -1.86215800
 H                  0.40912100    2.63273900   -1.64324100
 C                 -0.44817100    5.89726800   -1.28598400
 H                 -1.42640600    6.73831200    0.44051200
 H                  0.50595600    4.77209500   -2.85443200
 H                 -0.41273500    6.83778300   -1.82573600
 C                 -2.21664500    1.97234600    1.96353100
 H                 -2.92333600    2.52151300    1.33674600
 H                 -2.07835300    2.54217400    2.88393500
 I                 -0.96744700   -2.12764000   -1.91510100
 C                  2.99568800   -1.10039700   -0.40845900
 O                  1.06806000    0.34112300   -0.95908400
 N                  1.97910700   -0.91436700    0.29839700
 C                  3.11444700   -0.53183500   -1.82018500
 C                  1.84969400    0.32592400   -2.01095600
 O                  1.62671000    0.94781800   -3.03379400
 C                  4.75330600    1.50564600   -1.30471900
 C                  4.02169600    2.02602600   -0.31761900
 H                  3.08396700    1.60318800    0.01782500
 H                  4.34843800    2.92303800    0.19951100
 C                  3.05368200   -1.70848100   -2.82391600
 H                  3.03907000   -1.30837700   -3.83926300
 H                  2.15404800   -2.30784500   -2.67887600
 H                  3.93052500   -2.34946100   -2.71569000
 C                  4.02987400   -2.01345300    0.19936000
 C                  3.74900100   -3.37975300    0.31644700
 C                  5.24801000   -1.50651400    0.66697600
 C                  4.69512400   -4.23775500    0.87258900
 H                  2.79860700   -3.76682000   -0.03273300
 C                  6.18497600   -2.37076700    1.22829600
 H                  5.45487500   -0.44458200    0.60426100
 C                  5.91291900   -3.73538000    1.32871000
 H                  4.47638700   -5.29692400    0.95413300
 H                  7.12798300   -1.97530600    1.59014700
 H                  6.64642600   -4.40401500    1.76629100
 C                  6.05467900    2.13742200   -1.73636600
 H                  6.02398900    2.41824900   -2.79501400
 H                  6.88982300    1.43677000   -1.62483300
 H                  6.28165100    3.03182600   -1.15390200
 C                  4.40169400    0.27042300   -2.10680300
 H                  5.24830400   -0.42521700   -2.06238100
 H                  4.33923500    0.56446800   -3.16136700
 
86    
TS1-Co-1-t  SCF Done:  E(UM06) =  -4115.33799303
 Co                 0.70962000    0.05295200   -0.50808300
 P                  0.86440400    1.89486000    1.12588400
 P                  2.74484000   -0.81083200    0.50784400
 C                  2.28733100    1.36068900    2.22009100
 H                  1.89116400    0.66884000    2.96667500
 H                  2.68711800    2.21648400    2.76712600
 C                 -0.51716600    2.14823400    2.32428400
 C                 -1.28736000    3.31808500    2.33449300
 C                 -0.87962600    1.09718100    3.18109600
 C                 -2.37811700    3.44186800    3.19500400
 H                 -1.03778200    4.14054700    1.67456700
 C                 -1.96506600    1.22592800    4.04398200
 H                 -0.32066900    0.16722000    3.17945100
 C                 -2.71781300    2.40014200    4.05510100
 H                 -2.96031100    4.35757800    3.19174400
 H                 -2.22372100    0.40576300    4.70559200
 H                 -3.56451800    2.49910300    4.72608400
 C                  1.33781800    3.59522500    0.59935800
 C                  1.77715100    4.56448500    1.51453100
 C                  1.25313700    3.93091100   -0.75669700
 C                  2.12634800    5.83920300    1.07845600
 H                  1.83791700    4.33424500    2.57295100
 C                  1.60124400    5.21055400   -1.19159500
 H                  0.92630100    3.18718900   -1.47511600
 C                  2.03872200    6.16461000   -0.27645000
 H                  2.46471800    6.57968400    1.79570000
 H                  1.53250300    5.45696100   -2.24598400
 H                  2.31113000    7.15908600   -0.61425600
 C                  2.58649900   -2.06489700    1.85453100
 C                  3.69172500   -2.48457300    2.60926200
 C                  1.32755100   -2.60941200    2.13433100
 C                  3.53621500   -3.42090000    3.62736100
 H                  4.67982400   -2.08801200    2.39901000
 C                  1.17279600   -3.54894200    3.15489300
 H                  0.46586500   -2.30755700    1.54884400
 C                  2.27543700   -3.95392800    3.90285200
 H                  4.39888000   -3.73788500    4.20412800
 H                  0.19155500   -3.96418300    3.35919200
 H                  2.15675500   -4.68562100    4.69511600
 C                  4.16298800   -1.43300900   -0.48737300
 C                  5.41134700   -0.80099300   -0.53429200
 C                  3.95805700   -2.58544300   -1.26147900
 C                  6.43371700   -1.31505900   -1.33349000
 H                  5.60352600    0.09157800    0.04905500
 C                  4.98153200   -3.10069000   -2.05073400
 H                  2.99360800   -3.08372700   -1.24839500
 C                  6.22320000   -2.46466300   -2.09047600
 H                  7.39571100   -0.81378000   -1.35922000
 H                  4.80744800   -3.99433600   -2.64088100
 H                  7.01971300   -2.86278600   -2.71022300
 C                  3.40128200    0.68437800    1.40637600
 H                  3.79181900    1.37521500    0.65424300
 H                  4.23157200    0.41273400    2.06285800
 I                  1.26910800    0.54143000   -3.15093300
 C                 -3.69464200   -0.45062700   -0.81979100
 O                 -1.29241200   -0.44511200   -0.63668300
 N                 -2.87990900    0.43782800   -0.44917900
 C                 -3.14190900   -1.78706700   -1.29663000
 C                 -1.63863800   -1.66989700   -1.02862600
 O                 -0.83834100   -2.56670300   -1.18772700
 C                 -3.69219300   -3.28400400    0.82606700
 C                 -3.15519200   -2.44790600    1.71682900
 H                 -2.69769100   -1.50324700    1.45151900
 H                 -3.15584100   -2.68977100    2.77505900
 C                 -3.33430800   -1.86105300   -2.83438800
 H                 -2.84124400   -2.75629000   -3.21642000
 H                 -2.90507100   -0.99056700   -3.33363500
 H                 -4.39589800   -1.91481500   -3.08074600
 C                 -5.13729000   -0.05795200   -0.88447600
 C                 -5.51666400    1.00133700   -1.71891800
 C                 -6.10284500   -0.71373100   -0.11005200
 C                 -6.85315000    1.38530600   -1.79369000
 H                 -4.76720900    1.51109300   -2.31326200
 C                 -7.43564800   -0.31739400   -0.18405600
 H                 -5.81247400   -1.50957300    0.56498000
 C                 -7.81394300    0.72726200   -1.02742300
 H                 -7.14154700    2.20033500   -2.44851200
 H                 -8.17878800   -0.82507400    0.42125700
 H                 -8.85420500    1.02928200   -1.08394900
 C                 -4.31768300   -4.59062200    1.24937500
 H                 -3.81679400   -5.43900700    0.77013900
 H                 -5.37006800   -4.64036100    0.94847700
 H                 -4.26598300   -4.73120100    2.33011600
 C                 -3.74222200   -3.06014400   -0.67035000
 H                 -4.78244400   -3.14639600   -1.00474200
 H                 -3.22635100   -3.89987200   -1.15094100
 
86    
TS1-Co-s  SCF Done:  E(RM06) =  -4115.35046969
 Co                -0.47591100    0.12801700   -0.33428700
 P                 -2.53780900    0.16041700    0.65977400
 P                  0.14127200    1.59349100    1.25795300
 C                 -2.33861300    1.00500700    2.31243000
 H                 -1.89454300    0.29824600    3.01699800
 H                 -3.30557100    1.30849100    2.71754700
 C                 -3.30925600   -1.46389000    1.04994100
 C                 -4.41366300   -1.95019400    0.33957400
 C                 -2.72547900   -2.27583800    2.03334600
 C                 -4.93416000   -3.21253900    0.62028200
 H                 -4.87255200   -1.34702700   -0.43439600
 C                 -3.24931400   -3.53590400    2.31311500
 H                 -1.85371500   -1.93757200    2.58280300
 C                 -4.35651700   -4.00717000    1.60857200
 H                 -5.79233700   -3.57339100    0.06309800
 H                 -2.78911500   -4.14914900    3.08066800
 H                 -4.76371200   -4.98882300    1.82642100
 C                 -3.85945900    1.18957400   -0.11019100
 C                 -5.12148900    1.31707100    0.48983100
 C                 -3.57871100    1.93020200   -1.26413500
 C                 -6.08216500    2.16126100   -0.06022000
 H                 -5.36283900    0.75382900    1.38512100
 C                 -4.54047400    2.78080300   -1.80991100
 H                 -2.61096200    1.83306700   -1.74126000
 C                 -5.79270900    2.89562200   -1.21121000
 H                 -7.05582200    2.24675400    0.41066800
 H                 -4.30871200    3.34950700   -2.70425000
 H                 -6.54189300    3.55446700   -1.63755500
 C                  1.13157000    1.03165800    2.70480200
 C                  1.51062400    1.92139900    3.72296600
 C                  1.42781500   -0.32760600    2.84687000
 C                  2.18327200    1.45748400    4.84929500
 H                  1.28598400    2.97934800    3.64036200
 C                  2.09927800   -0.79134500    3.97910500
 H                  1.12866900   -1.02465900    2.07399800
 C                  2.47955200    0.09933100    4.97906400
 H                  2.47394300    2.15552100    5.62725200
 H                  2.32260700   -1.84833000    4.07459900
 H                  3.00236000   -0.26037400    5.85903100
 C                  0.94802200    3.12729200    0.63475100
 C                  0.20763700    3.97440200   -0.20447200
 C                  2.28595800    3.44223400    0.89939400
 C                  0.78697400    5.11872500   -0.74523500
 H                 -0.82402000    3.74438900   -0.44845200
 C                  2.86516500    4.58721100    0.35266500
 H                  2.88314900    2.80173000    1.53660100
 C                  2.11807600    5.42946400   -0.46717000
 H                  0.19831100    5.76525600   -1.38742500
 H                  3.90268300    4.81762700    0.57054800
 H                  2.56956700    6.32041300   -0.89044200
 C                 -1.41261700    2.20401000    2.09669100
 H                 -1.88692700    2.94638300    1.45106500
 H                 -1.16434400    2.69982500    3.03675200
 I                 -1.51009000   -1.11329200   -2.49170200
 C                  2.14489100   -1.11628700   -0.98773700
 O                  1.71942800    0.94763400   -2.11744000
 N                  1.20381100   -0.25844900   -0.90302900
 C                  3.14323600   -0.93029400   -2.12240400
 C                  2.79933500    0.46134600   -2.67142000
 O                  3.43216800    1.02520600   -3.54741900
 C                  5.32284000   -0.20761900   -0.79199800
 C                  4.72097500    0.75262900   -0.08915900
 H                  3.67163300    0.99563700   -0.19706000
 H                  5.27399900    1.34967300    0.62933800
 C                  2.77248000   -1.95832700   -3.22815100
 H                  3.37107400   -1.75407300   -4.11761200
 H                  1.71642100   -1.89068000   -3.49494000
 H                  2.98195700   -2.97520300   -2.89135000
 C                  2.11827000   -2.33307900   -0.12374100
 C                  0.98031300   -3.15050000   -0.09905500
 C                  3.23237000   -2.68223200    0.65267900
 C                  0.96443700   -4.30549900    0.67951800
 H                  0.11872300   -2.88408600   -0.69853500
 C                  3.20434700   -3.83199800    1.43770800
 H                  4.10307400   -2.03992100    0.67578200
 C                  2.07427000   -4.64907000    1.44958900
 H                  0.08110700   -4.93495100    0.68350900
 H                  4.06782400   -4.08652200    2.04273700
 H                  2.05883600   -5.54705000    2.05804600
 C                  6.79203700   -0.50801200   -0.62405400
 H                  7.32798100   -0.38773100   -1.57211600
 H                  6.94998200   -1.54516500   -0.30763600
 H                  7.25650000    0.14728400    0.11457200
 C                  4.64607200   -1.08086200   -1.82513000
 H                  4.85357900   -2.13120600   -1.59123600
 H                  5.14896500   -0.90646100   -2.78392800
 
86    
TS1-Co-t  SCF Done:  E(UM06) =  -4115.38589808
 Co                 0.56855700    0.24356700   -0.57627200
 P                  0.07052100    1.79416400    1.20221500
 P                  2.34813900   -0.59178200    0.83937700
 C                  1.29853300    1.35263000    2.54949100
 H                  0.85763100    0.55889600    3.15648200
 H                  1.45622200    2.20563100    3.21238600
 C                 -1.53537100    1.85112600    2.11965900
 C                 -2.42403500    2.92655200    1.98853600
 C                 -1.92705700    0.75209100    2.89973900
 C                 -3.65767400    2.91407800    2.63904700
 H                 -2.15404700    3.78529100    1.38537800
 C                 -3.15726600    0.74343000    3.55282000
 H                 -1.27586100   -0.10858400    3.00593900
 C                 -4.02715700    1.82616200    3.42687600
 H                 -4.32817000    3.76025900    2.52955800
 H                 -3.43498000   -0.11185400    4.16014300
 H                 -4.98501300    1.81951700    3.93626100
 C                  0.45428800    3.57298100    0.88116200
 C                  0.54604500    4.51908200    1.91403200
 C                  0.67579300    3.98893000   -0.43661100
 C                  0.85603900    5.84635400    1.63250600
 H                  0.36488600    4.22717100    2.94323400
 C                  0.98455100    5.32073300   -0.71873600
 H                  0.61651000    3.26718900   -1.24432300
 C                  1.07635000    6.25004100    0.31408900
 H                  0.92456900    6.56672200    2.44111900
 H                  1.15541800    5.62727800   -1.74549100
 H                  1.31819400    7.28517800    0.09637100
 C                  2.13205800   -1.94652000    2.08430500
 C                  3.20229700   -2.44462400    2.84147800
 C                  0.85158500   -2.46629400    2.30263500
 C                  2.99090700   -3.43612800    3.79631200
 H                  4.20631800   -2.06549700    2.68200300
 C                  0.63848600   -3.45670100    3.26213600
 H                  0.02195400   -2.09948500    1.71022300
 C                  1.70812300   -3.94343800    4.00982300
 H                  3.82849000   -3.81482100    4.37314100
 H                 -0.36058200   -3.85045900    3.41742700
 H                  1.54624900   -4.71767500    4.75255800
 C                  4.01030600   -0.96377900    0.13190300
 C                  5.16011200   -0.21561700    0.41229000
 C                  4.10822300   -2.04054800   -0.76290400
 C                  6.37957100   -0.53979700   -0.18494300
 H                  5.12082600    0.62258000    1.09789900
 C                  5.32660800   -2.36891100   -1.34958300
 H                  3.22591000   -2.62514200   -1.00525700
 C                  6.46693100   -1.61646800   -1.06369000
 H                  7.26090600    0.05106500    0.04256200
 H                  5.38459500   -3.20691700   -2.03645600
 H                  7.41584900   -1.86782600   -1.52580500
 C                  2.63134300    0.88356200    1.95050700
 H                  3.07324400    1.67914800    1.34381500
 H                  3.33962600    0.64332700    2.74719100
 I                  1.48796500    0.76433400   -3.09755600
 C                 -2.22978000   -1.18247300   -1.21235800
 O                 -0.44501800   -2.47970600   -0.92013700
 N                 -0.99649400   -1.15140400   -0.82720500
 C                 -2.64241000   -2.54906300   -1.72056300
 C                 -1.39796400   -3.34992600   -1.38486400
 O                 -1.17366500   -4.51951200   -1.50788100
 C                 -4.13211000   -3.42967700    0.29276300
 C                 -3.28227900   -3.05942800    1.25138100
 H                 -2.35061000   -2.54278000    1.05719800
 H                 -3.49441100   -3.26419100    2.29568600
 C                 -2.73587300   -2.47466100   -3.27344700
 H                 -2.86319000   -3.48109100   -3.67515600
 H                 -1.83695000   -2.03739000   -3.71082100
 H                 -3.59338200   -1.86654200   -3.56372100
 C                 -3.04682000    0.04314700   -1.30871600
 C                 -2.57844800    1.14246600   -2.04307200
 C                 -4.31823500    0.10207900   -0.71850400
 C                 -3.37137800    2.27814600   -2.18565700
 H                 -1.60570800    1.09673900   -2.51953200
 C                 -5.10144000    1.24374800   -0.85908400
 H                 -4.68126500   -0.72669100   -0.12358000
 C                 -4.63326500    2.33135700   -1.59624800
 H                 -3.00219200    3.11928800   -2.76239300
 H                 -6.07832000    1.28333800   -0.38987400
 H                 -5.25003300    3.21642700   -1.70983200
 C                 -5.42074700   -4.14615400    0.61382300
 H                 -5.45255700   -5.12957300    0.13222700
 H                 -6.28643500   -3.58803700    0.24063900
 H                 -5.54523600   -4.28911600    1.68814700
 C                 -3.93270200   -3.20402200   -1.18953200
 H                 -4.78541400   -2.63775300   -1.57988800
 H                 -3.99802400   -4.17858100   -1.68772700
 
86    
TS3-Co-1-s  SCF Done:  E(RM06) =  -4115.32008176
 Co                -0.11516700   -0.24026300   -0.30924300
 P                  0.18614400    1.69298000    0.92028600
 P                 -2.53275700   -0.04998400    0.33253400
 C                 -1.42499000    2.10033700    1.79150300
 H                 -1.87397000    2.93220100    1.25136200
 H                 -1.19625400    2.47605300    2.78868100
 C                  0.56505900    3.25848800    0.00982500
 C                  1.88277400    3.73427700   -0.04304100
 C                 -0.43164600    3.97096100   -0.67260700
 C                  2.19165100    4.89485200   -0.74801100
 H                  2.67411700    3.20359200    0.47223600
 C                 -0.12114300    5.13387900   -1.37503400
 H                 -1.46250000    3.63614700   -0.66795600
 C                  1.19136000    5.59996900   -1.41538700
 H                  3.21688500    5.24881200   -0.77161200
 H                 -0.90913000    5.67321000   -1.88971800
 H                  1.43226200    6.50587500   -1.96122600
 C                  1.47124600    1.71240300    2.24590200
 C                  1.40946000    2.66810400    3.27117700
 C                  2.55374800    0.82805700    2.19683200
 C                  2.40410800    2.72078500    4.24456300
 H                  0.60190100    3.39012100    3.31590000
 C                  3.55085300    0.89174900    3.17082100
 H                  2.59704300    0.11092700    1.38343300
 C                  3.47650200    1.82992900    4.19801100
 H                  2.34206600    3.46179600    5.03466300
 H                  4.38651300    0.20069300    3.12533300
 H                  4.25171500    1.87312800    4.95626100
 C                 -3.73439600    0.88434000   -0.72798400
 C                 -4.18721100    0.27284300   -1.90796600
 C                 -4.20300400    2.16777800   -0.42115500
 C                 -5.07779200    0.92614900   -2.75466200
 H                 -3.85983800   -0.73016700   -2.16349400
 C                 -5.09334000    2.82407500   -1.27284000
 H                 -3.90179500    2.66786500    0.49092000
 C                 -5.53089000    2.20816500   -2.44201500
 H                 -5.41929400    0.43215000   -3.65823000
 H                 -5.44710800    3.81630000   -1.01299600
 H                 -6.22382500    2.71863300   -3.10229500
 C                 -3.57257300   -1.50988800    0.78088000
 C                 -4.66143200   -1.38039400    1.65422700
 C                 -3.31652600   -2.75376300    0.19326100
 C                 -5.46877500   -2.47853400    1.94246300
 H                 -4.89231900   -0.42531700    2.11273100
 C                 -4.13509200   -3.84777300    0.47250800
 H                 -2.47057700   -2.87084900   -0.47151900
 C                 -5.20897500   -3.71426000    1.35024000
 H                 -6.30382600   -2.36600300    2.62615400
 H                 -3.92594500   -4.80645000    0.00917000
 H                 -5.84149900   -4.56749300    1.57199100
 C                 -2.41104900    0.93067300    1.90364500
 H                 -2.06990300    0.21831000    2.65531000
 H                 -3.38555700    1.30143100    2.22757400
 I                  0.08615700   -1.86328300    1.87379200
 C                  2.36980300   -1.04473300   -1.50122200
 O                 -0.43905400   -2.32343100   -1.43235000
 N                  1.72145400   -0.47337500   -0.50451000
 C                  1.93563100   -1.42876700   -2.80028200
 C                  0.40662100   -3.08181700   -1.75933600
 O                  0.96600000   -4.08916800   -1.96374000
 C                  0.44453100    0.60214400   -2.90556500
 C                 -0.77156700    0.76885500   -2.32026900
 H                 -1.53919300    0.02300500   -2.48144500
 H                 -1.10961400    1.74824400   -2.00848200
 C                  2.79012100   -2.28230100   -3.70677600
 H                  2.15671200   -2.86573900   -4.38532500
 H                  3.40813500   -2.98727800   -3.14987600
 H                  3.46418600   -1.69159900   -4.34285700
 C                  3.80515600   -1.37238100   -1.12083300
 C                  4.08139600   -2.22606900   -0.04655200
 C                  4.87755100   -0.77959000   -1.79781500
 C                  5.39655500   -2.49572600    0.33024200
 H                  3.25438400   -2.67177700    0.49576400
 C                  6.19388900   -1.03099100   -1.41080700
 H                  4.67990500   -0.11079600   -2.62989000
 C                  6.45809000   -1.89559500   -0.34867900
 H                  5.59350400   -3.17076100    1.15763900
 H                  7.01276600   -0.55282600   -1.93970600
 H                  7.48199500   -2.09841400   -0.05094300
 C                  1.48534600    1.67925700   -2.92127500
 H                  2.09211100    1.61984000   -3.82838000
 H                  2.16284000    1.55821600   -2.06967100
 H                  1.04194300    2.67246000   -2.85416800
 C                  0.80440700   -0.70908600   -3.51847400
 H                  1.17335100   -0.49528800   -4.53168800
 H                 -0.08831900   -1.32606000   -3.66213700
 
86    
TS3-Co-1-t  SCF Done:  E(UM06) =  -4115.35076049
 Co                 0.08378400   -0.22719300    0.37455500
 P                  0.07977700    2.01669900   -0.76790800
 P                  2.35459400   -0.35780800   -0.49936900
 C                  1.65866200    2.10054800   -1.77513400
 H                  2.33437300    2.77700000   -1.25346200
 H                  1.45397400    2.56358800   -2.74111500
 C                  0.14731300    3.58573000    0.21509000
 C                 -0.99166400    4.38967800    0.36474700
 C                  1.31091500    3.94166600    0.91488800
 C                 -0.96333200    5.52120600    1.17826200
 H                 -1.90664300    4.13878300   -0.15835000
 C                  1.33878800    5.07588100    1.72364900
 H                  2.21106500    3.34132800    0.84099600
 C                  0.20136900    5.87032000    1.85901600
 H                 -1.85502300    6.13185500    1.27514000
 H                  2.25196300    5.33538200    2.24894300
 H                  0.22311500    6.75267000    2.48968000
 C                 -1.28081600    2.36853300   -1.96300600
 C                 -1.13984700    3.31679300   -2.98672200
 C                 -2.50698900    1.71187900   -1.80715700
 C                 -2.20047900    3.58960200   -3.84697300
 H                 -0.21027000    3.86044500   -3.11561400
 C                 -3.57055200    1.99497000   -2.66475500
 H                 -2.62036800    0.98272800   -1.01456200
 C                 -3.41865000    2.92794300   -3.68798000
 H                 -2.07637300    4.32243600   -4.63750200
 H                 -4.51585900    1.47839100   -2.53422600
 H                 -4.24483000    3.14254600   -4.35799200
 C                  3.77753200    0.24847400    0.52262300
 C                  4.17877300   -0.52858300    1.62088900
 C                  4.48158300    1.42648200    0.24622500
 C                  5.24417200   -0.13285500    2.42350400
 H                  3.67212800   -1.46219600    1.84346800
 C                  5.54846800    1.82452400    1.05403000
 H                  4.22882200    2.03888800   -0.60986100
 C                  5.92992800    1.05019200    2.14584800
 H                  5.54050700   -0.75094100    3.26441900
 H                  6.08274300    2.73917800    0.81960800
 H                  6.75989000    1.35982100    2.77189200
 C                  3.06725600   -1.94795000   -1.11605800
 C                  4.16602900   -1.93847500   -1.98731200
 C                  2.56507200   -3.17425800   -0.66816500
 C                  4.73889800   -3.13429200   -2.41358600
 H                  4.58927100   -1.00297800   -2.33541800
 C                  3.15090900   -4.36945100   -1.08513100
 H                  1.71262900   -3.19466700   -0.00262300
 C                  4.23353200   -4.35320900   -1.96169900
 H                  5.58358100   -3.11182000   -3.09425900
 H                  2.75261800   -5.31385200   -0.72876600
 H                  4.68373500   -5.28419400   -2.29020000
 C                  2.31849000    0.73320300   -2.00464000
 H                  1.74931400    0.15884600   -2.73722300
 H                  3.32280400    0.86914300   -2.41111900
 I                 -0.68277400   -1.67028800   -1.95659700
 C                 -2.39952800   -0.95496000    1.62299900
 O                  0.16013900   -2.41447800    1.44240600
 N                 -1.72088100   -0.11575800    0.86646500
 C                 -1.99898900   -1.45251500    2.88185300
 C                 -0.74349300   -3.05511900    1.88602100
 O                 -1.28627600   -4.07413000    2.13375100
 C                 -0.23709300    0.44159600    3.00989400
 C                  1.01429000    0.40766500    2.48525200
 H                  1.62274700   -0.48067400    2.58683100
 H                  1.52136500    1.31986100    2.19570900
 C                 -2.96746100   -2.17332000    3.78979400
 H                 -2.42128800   -2.80564600    4.49613700
 H                 -3.66181000   -2.81270100    3.24815700
 H                 -3.55812600   -1.46599600    4.38722300
 C                 -3.76072100   -1.29933800    1.05685800
 C                 -4.09390900   -2.59338800    0.64247400
 C                 -4.70957200   -0.27831400    0.92254800
 C                 -5.35665400   -2.86134700    0.11508700
 H                 -3.37010000   -3.39441200    0.73218300
 C                 -5.97399000   -0.54990400    0.40305100
 H                 -4.45556900    0.72982500    1.23092500
 C                 -6.30122100   -1.84284800   -0.00453700
 H                 -5.59974300   -3.86949300   -0.20478300
 H                 -6.70180500    0.25031200    0.31508300
 H                 -7.28341200   -2.05437100   -0.41428000
 C                 -1.00304200    1.72403700    3.17251500
 H                 -0.96602800    2.01467600    4.22930400
 H                 -2.05608300    1.60275000    2.91282000
 H                 -0.58534100    2.53654400    2.58239400
 C                 -0.85362800   -0.77706900    3.64614200
 H                 -1.27168800   -0.45062000    4.60784700
 H                 -0.07381300   -1.49953700    3.90150700
 
86    
TS3-Co-2-s  SCF Done:  E(RM06) =  -4115.32887224
 Co                -0.37885200    0.07180100    0.75931600
 P                 -1.68271200   -1.08124800   -0.80192900
 P                  0.34237300    1.49090800   -0.99715900
 C                 -1.74938200    0.12765700   -2.21251200
 H                 -2.39619800    0.96111200   -1.93602300
 H                 -2.17214800   -0.35875000   -3.09376200
 C                 -3.42689600   -1.53610200   -0.42921900
 C                 -3.68752500   -2.73910500    0.24307900
 C                 -4.50456600   -0.71965100   -0.79318700
 C                 -4.99302900   -3.11280200    0.55063500
 H                 -2.87435900   -3.40443500    0.50934700
 C                 -5.81142500   -1.10149400   -0.49448700
 H                 -4.33976100    0.21728800   -1.30839700
 C                 -6.05955000   -2.29362800    0.18264400
 H                 -5.17475400   -4.04681500    1.07145600
 H                 -6.63528100   -0.46089200   -0.79062200
 H                 -7.07752800   -2.58535700    0.41801800
 C                 -1.07411600   -2.59736400   -1.68365200
 C                 -1.95943300   -3.29759800   -2.52113200
 C                  0.26092600   -3.00746600   -1.61534200
 C                 -1.51613100   -4.39103500   -3.25939800
 H                 -2.99834000   -2.99906300   -2.59729100
 C                  0.70015700   -4.10433400   -2.35901000
 H                  0.94611800   -2.44887000   -0.98750900
 C                 -0.18462300   -4.80021000   -3.17792900
 H                 -2.21331500   -4.92359500   -3.89783800
 H                  1.73879900   -4.41143200   -2.29287000
 H                  0.15784500   -5.65504000   -3.75186100
 C                 -0.29609400    3.22697400   -1.11552100
 C                 -0.14602400    4.07559100   -0.00919700
 C                 -0.84692700    3.74749000   -2.29174800
 C                 -0.51603900    5.41467500   -0.08642200
 H                  0.24065200    3.68731200    0.92508900
 C                 -1.23590100    5.08611200   -2.36112200
 H                 -0.98270600    3.12734000   -3.16902800
 C                 -1.06576400    5.92433900   -1.26280700
 H                 -0.38867200    6.05658500    0.77896100
 H                 -1.66702500    5.46944800   -3.28005000
 H                 -1.36228800    6.96637300   -1.32020700
 C                  2.12322500    1.79900300   -1.38286500
 C                  2.72721700    1.29868800   -2.54269500
 C                  2.87805700    2.62306100   -0.53526400
 C                  4.04923900    1.62074100   -2.84897900
 H                  2.18085400    0.66153700   -3.22609000
 C                  4.19911800    2.93870300   -0.84039100
 H                  2.43774300    3.04174700    0.36115200
 C                  4.78969200    2.44030800   -2.00143300
 H                  4.49642600    1.22719600   -3.75570500
 H                  4.76437900    3.57811100   -0.17069700
 H                  5.81703300    2.69110000   -2.24288300
 C                 -0.31996200    0.60924300   -2.48309000
 H                  0.33403200   -0.24732800   -2.65803800
 H                 -0.27068100    1.22961200   -3.37824200
 I                 -2.57802900    1.76351900    1.30282000
 C                  2.13603200   -1.16166000    1.24796500
 O                  0.98198600    1.48023000    2.23280700
 N                  1.20339000   -0.80834300    0.37302800
 C                  2.16152700   -1.14686300    2.66428600
 C                  2.06144400    1.33019400    2.69101700
 O                  3.08665200    1.58060000    3.19991300
 C                 -0.28348800   -1.81998000    2.79639000
 C                 -1.40654500   -1.07678000    2.69274600
 H                 -1.48934200   -0.13619200    3.21906400
 H                 -2.32336900   -1.47443800    2.27633900
 C                  3.43161800   -1.45090100    3.42331900
 H                  3.41339000   -0.95336000    4.39917700
 H                  4.32526600   -1.11213200    2.89939400
 H                  3.55576400   -2.52481800    3.62141400
 C                  3.38894900   -1.70097300    0.56986700
 C                  4.32277900   -0.87000400   -0.05432000
 C                  3.60983000   -3.08458400    0.55503900
 C                  5.45431400   -1.40620300   -0.67033800
 H                  4.16723500    0.20186500   -0.05604100
 C                  4.73046400   -3.62489100   -0.07457700
 H                  2.90048800   -3.74462400    1.04471500
 C                  5.66090100   -2.78501800   -0.68700900
 H                  6.17300700   -0.74322800   -1.14187300
 H                  4.87981700   -4.70027100   -0.08039100
 H                  6.53831000   -3.20148500   -1.17151500
 C                 -0.18265900   -3.21291300    2.24179300
 H                  0.34258100   -3.86638200    2.94413300
 H                  0.37913000   -3.22918900    1.30529600
 H                 -1.16850900   -3.63959400    2.05243700
 C                  0.90693500   -1.27109500    3.51646000
 H                  1.15154600   -1.98178900    4.31802600
 H                  0.63257600   -0.34654600    4.03567700
 
86    
TS3-Co-s  SCF Done:  E(RM06) =  -4115.32978532
 Co                 0.33319400   -0.14397500   -0.52362900
 P                  2.57312700    0.21382000    0.44661900
 P                 -0.27826800   -0.54896300    1.66895200
 C                  2.45289800   -0.20225800    2.26654500
 H                  2.37590300    0.75794200    2.77728300
 H                  3.37921700   -0.66343800    2.61371900
 C                  3.17226600    1.95766700    0.49062200
 C                  4.49192100    2.27665700    0.84491400
 C                  2.26198800    2.99446700    0.24883000
 C                  4.89138400    3.60668600    0.94541800
 H                  5.21135500    1.48955000    1.04025200
 C                  2.66685900    4.32574000    0.35161500
 H                  1.23328300    2.77755300   -0.01432000
 C                  3.98046700    4.63408600    0.69650500
 H                  5.91505300    3.84045500    1.21857200
 H                  1.95128600    5.11797600    0.15874900
 H                  4.29522700    5.66955100    0.77273700
 C                  4.01604800   -0.74400700   -0.17573700
 C                  4.33905500   -1.99418100    0.36863500
 C                  4.76819200   -0.26721200   -1.25980900
 C                  5.39678100   -2.74055400   -0.14689200
 H                  3.77035300   -2.40136200    1.19599900
 C                  5.82240500   -1.01754500   -1.77598300
 H                  4.54950300    0.70026300   -1.69693300
 C                  6.14082700   -2.25588400   -1.22067700
 H                  5.63549700   -3.70333000    0.29239500
 H                  6.39729000   -0.62915300   -2.61000000
 H                  6.96400800   -2.83797000   -1.62106600
 C                 -0.90154600    0.94745600    2.55220800
 C                 -2.09289000    1.53080100    2.09807300
 C                 -0.27334200    1.48526800    3.68323100
 C                 -2.64390900    2.62218400    2.76196100
 H                 -2.58732900    1.12651800    1.22349700
 C                 -0.82377100    2.58550900    4.34080000
 H                  0.63694500    1.05230900    4.07811200
 C                 -2.00871900    3.15626200    3.88313100
 H                 -3.56881300    3.05834300    2.39955500
 H                 -0.32449800    2.98940500    5.21517900
 H                 -2.43635800    4.01046400    4.39735700
 C                 -1.53393200   -1.82226800    2.11704300
 C                 -1.62745600   -2.24566500    3.45139100
 C                 -2.41306500   -2.34958800    1.16638600
 C                 -2.57504200   -3.19680600    3.82221700
 H                 -0.97431000   -1.83710200    4.21403400
 C                 -3.36361000   -3.29694100    1.54588700
 H                 -2.35231300   -1.98927200    0.14829600
 C                 -3.44415000   -3.72650000    2.86904000
 H                 -2.63449100   -3.51912600    4.85651100
 H                 -4.04391500   -3.69866400    0.80192300
 H                 -4.18405600   -4.46529400    3.15941900
 C                  1.24484400   -1.08724900    2.58649600
 H                  1.41459600   -2.11590600    2.26287700
 H                  1.06910400   -1.11870700    3.66317100
 I                  0.70116400   -2.75616600   -0.89186600
 C                 -2.23588100    0.62361600   -1.65538500
 O                 -0.98931700    3.25880000   -0.56286700
 N                 -1.49127700   -0.12334900   -0.87851900
 C                 -1.87195600    1.62506700   -2.61990600
 C                 -1.94114900    3.36842400   -1.27430100
 O                 -2.89120100    4.00105700   -1.62109100
 C                  0.34614300    0.41786800   -3.05052300
 C                  1.56690500    0.35520200   -2.46176200
 H                  2.03492500    1.26732200   -2.10996500
 H                  2.20083800   -0.51435800   -2.57539100
 C                 -2.85880300    2.00577800   -3.70531800
 H                 -2.56841500    2.95020200   -4.17296500
 H                 -3.87323200    2.12281600   -3.32999100
 H                 -2.88436900    1.24815400   -4.50106500
 C                 -3.71922600    0.31992100   -1.47163700
 C                 -4.61783600    1.21091700   -0.87326000
 C                 -4.19835700   -0.93127800   -1.88237400
 C                 -5.95603100    0.85903800   -0.68897700
 H                 -4.28252200    2.19190500   -0.55976000
 C                 -5.53744400   -1.27787000   -1.71498600
 H                 -3.51250600   -1.63946900   -2.33548400
 C                 -6.42276200   -0.38404100   -1.11155600
 H                 -6.63394000    1.56219800   -0.21506900
 H                 -5.88808600   -2.24871700   -2.05120100
 H                 -7.46426200   -0.65485200   -0.97145900
 C                 -0.19711500   -0.70455700   -3.88525100
 H                 -0.18155600   -0.38923600   -4.93535200
 H                 -1.23393400   -0.93649900   -3.63769600
 H                  0.39586500   -1.61177900   -3.78921800
 C                 -0.41029000    1.71553200   -3.04612400
 H                 -0.38252000    2.11387100   -4.06755500
 H                  0.13923200    2.42484000   -2.42350800
 
86    
TS3-Co-t  SCF Done:  E(UM06) =  -4115.36235566
 Co                 0.33437100   -0.06954400   -0.53758700
 P                  2.50271900    0.37655600    0.43779200
 P                 -0.43538900   -0.04081900    1.68399000
 C                  2.29170700    0.36205300    2.29630600
 H                  2.23984200    1.41224800    2.58244700
 H                  3.18901800   -0.03660800    2.77176900
 C                  3.20147100    2.06608400    0.16333200
 C                  4.54630800    2.35154900    0.44430100
 C                  2.35511400    3.10720200   -0.23816100
 C                  5.03238200    3.65027300    0.31707300
 H                  5.21870400    1.56296000    0.76103100
 C                  2.84721100    4.40661200   -0.36461300
 H                  1.30982400    2.91826500   -0.44631400
 C                  4.18492900    4.68053900   -0.09067900
 H                  6.07465500    3.85640900    0.53680000
 H                  2.18035600    5.20218300   -0.68009400
 H                  4.56675300    5.69094700   -0.19237000
 C                  3.93118800   -0.72716200    0.08152400
 C                  4.31131400   -1.74186500    0.96781000
 C                  4.65585400   -0.56123400   -1.10776300
 C                  5.39424700   -2.56769300    0.67496300
 H                  3.76526200   -1.90742300    1.88858000
 C                  5.73306800   -1.39421400   -1.40232000
 H                  4.40223000    0.23166900   -1.80134000
 C                  6.10566000   -2.39914000   -0.51153700
 H                  5.67728000   -3.34650400    1.37504800
 H                  6.28432700   -1.24974300   -2.32540100
 H                  6.94786600   -3.04406900   -0.73870600
 C                 -1.16911200    1.53515100    2.29550000
 C                 -2.49131700    1.82749700    1.92949800
 C                 -0.47156500    2.45170200    3.09025500
 C                 -3.09778100    3.00793900    2.34614800
 H                 -3.05728900    1.12482100    1.32738600
 C                 -1.08166300    3.63547400    3.50682000
 H                  0.54354600    2.25489100    3.40962400
 C                 -2.39293800    3.91841500    3.13440500
 H                 -4.12271000    3.21517600    2.05722100
 H                 -0.52767300    4.33166400    4.12754700
 H                 -2.86609100    4.83861100    3.46016200
 C                 -1.67412800   -1.27918600    2.24699400
 C                 -2.02378900   -1.32399500    3.60581800
 C                 -2.26168900   -2.18074100    1.35606000
 C                 -2.93927800   -2.26604400    4.06469100
 H                 -1.59301900   -0.61948800    4.30935100
 C                 -3.18649500   -3.11744700    1.82039800
 H                 -1.99194800   -2.14801000    0.30977500
 C                 -3.52260600   -3.16550200    3.17083600
 H                 -3.19968200   -2.29475500    5.11752300
 H                 -3.64148500   -3.81152200    1.12163500
 H                 -4.23913800   -3.89785700    3.52821100
 C                  1.04427500   -0.39783400    2.75157300
 H                  1.19412200   -1.47559900    2.65759400
 H                  0.82142300   -0.18857800    3.80044900
 I                  1.01416400   -3.10648100   -0.32177600
 C                 -2.25538200    0.25428200   -1.90080800
 O                 -0.83202200    2.69825500   -0.90064000
 N                 -1.35717200   -0.43610900   -1.24888800
 C                 -1.94464800    1.19814100   -2.92531300
 C                 -1.82238100    2.90389300   -1.53253600
 O                 -2.74763700    3.59840200   -1.80664600
 C                  0.32548900   -0.00340900   -3.09789000
 C                  1.52293400    0.13593800   -2.44846800
 H                  1.94111400    1.12750700   -2.31508300
 H                  2.19931900   -0.70678400   -2.38160300
 C                 -2.98126400    1.59552700   -3.95261600
 H                 -2.68356500    2.52563200   -4.44446800
 H                 -3.96631200    1.75673200   -3.51982200
 H                 -3.07885500    0.83414700   -4.73782000
 C                 -3.68898200   -0.11237500   -1.59003900
 C                 -4.62836000    0.82352400   -1.14044300
 C                 -4.08614700   -1.44662600   -1.74757200
 C                 -5.93635400    0.43063800   -0.85790200
 H                 -4.34532900    1.86146500   -1.01675800
 C                 -5.39700000   -1.83368800   -1.47867100
 H                 -3.36335300   -2.17917600   -2.08776900
 C                 -6.32640600   -0.89675400   -1.02833400
 H                 -6.65101100    1.16713300   -0.50518400
 H                 -5.68992500   -2.86929800   -1.61745800
 H                 -7.34577200   -1.19861300   -0.81156200
 C                 -0.07110600   -1.31643400   -3.71247900
 H                  0.39748900   -1.37525300   -4.70238400
 H                 -1.14879000   -1.39470900   -3.85612700
 H                  0.27158000   -2.16314500   -3.11874700
 C                 -0.50400800    1.19740100   -3.46136600
 H                 -0.56874500    1.19860200   -4.55706200
 H                  0.03227400    2.10976700   -3.19211800
 
86    
TS4-Co-1-s  SCF Done:  E(RM06) =  -4115.38626638
 Co                 0.16988500   -0.17678200    0.39100900
 P                 -0.06865400    1.91336200   -0.75840300
 P                  2.36435100   -0.20008100   -0.51013300
 C                  1.48334500    2.17212000   -1.77293700
 H                  2.07489100    2.92387500   -1.25251100
 H                  1.21623300    2.61056600   -2.73409300
 C                 -0.14537300    3.47467400    0.24035200
 C                 -1.35467600    4.16925100    0.38751000
 C                  0.99008000    3.96250100    0.90568800
 C                 -1.42371100    5.32011100    1.17069300
 H                 -2.24903700    3.81851000   -0.11203900
 C                  0.91909000    5.11445500    1.68579100
 H                  1.94615500    3.45795400    0.82459900
 C                 -0.28840600    5.79705200    1.82194000
 H                 -2.36866200    5.84416500    1.26686000
 H                  1.81096700    5.47619700    2.18608900
 H                 -0.34259800    6.69415000    2.42921300
 C                 -1.49352900    2.14597900   -1.90504800
 C                 -1.42385200    3.05932900   -2.96570400
 C                 -2.69587300    1.47252400   -1.66134900
 C                 -2.53155100    3.27574600   -3.78285100
 H                 -0.51816100    3.62125500   -3.16233500
 C                 -3.80516900    1.70227500   -2.47383600
 H                 -2.75160600    0.77501100   -0.83510100
 C                 -3.72469000    2.59702300   -3.53927200
 H                 -2.46065000    3.97948200   -4.60550000
 H                 -4.73140800    1.17295100   -2.27569300
 H                 -4.58727400    2.76848100   -4.17482600
 C                  3.69999000    0.47072500    0.57502500
 C                  4.09397000   -0.29837800    1.68148100
 C                  4.33092500    1.70031500    0.35223400
 C                  5.08948400    0.15404200    2.54215000
 H                  3.63316700   -1.26358200    1.86588800
 C                  5.32804500    2.15292400    1.21781300
 H                  4.07400900    2.31162800   -0.50419200
 C                  5.70745700    1.38425000    2.31477900
 H                  5.38423500   -0.45627800    3.38919400
 H                  5.80952500    3.10590400    1.02582200
 H                  6.48351200    1.73684800    2.98560200
 C                  3.16320300   -1.74729500   -1.12515600
 C                  4.26605700   -1.64704700   -1.98677800
 C                  2.73128400   -3.01138900   -0.70985100
 C                  4.91352300   -2.79423200   -2.43840200
 H                  4.63396800   -0.67952500   -2.30921600
 C                  3.39212000   -4.15590500   -1.15706000
 H                  1.88481900   -3.08862600   -0.04094600
 C                  4.47777000   -4.05251500   -2.02382600
 H                  5.76059800   -2.70235900   -3.11019400
 H                  3.05035500   -5.13200900   -0.82809500
 H                  4.98532800   -4.94587000   -2.37280300
 C                  2.30071400    0.89713200   -2.00290900
 H                  1.83469900    0.28243800   -2.77346100
 H                  3.30276600    1.15276200   -2.35221400
 I                 -0.60217800   -1.50889000   -2.03380300
 C                 -2.24881700   -1.18936000    1.55479900
 O                  0.49759100   -1.94249000    1.14434300
 N                 -1.73544400   -0.16921300    0.99940800
 C                 -1.43694200   -1.97793500    2.60280400
 C                 -0.27563200   -2.69406200    1.85368900
 O                 -0.10261600   -3.90228100    1.99060300
 C                 -0.51040600    0.41032700    2.72083200
 C                  0.78138500    0.60509000    2.16981200
 H                  1.55486100   -0.08678100    2.47350700
 H                  1.11617400    1.62710700    2.03777000
 C                 -2.22332100   -2.95311500    3.47887700
 H                 -1.59102000   -3.30358600    4.29735400
 H                 -2.55197000   -3.83215200    2.92917300
 H                 -3.09977800   -2.46527200    3.91266600
 C                 -3.63834800   -1.58834900    1.17340700
 C                 -3.93522500   -2.89938800    0.77545600
 C                 -4.65521200   -0.62424300    1.14670900
 C                 -5.22170800   -3.23540800    0.36039500
 H                 -3.15661600   -3.65329100    0.76077900
 C                 -5.94585800   -0.96843300    0.75296700
 H                 -4.42965500    0.39368800    1.44353000
 C                 -6.23238100   -2.27452900    0.35559100
 H                 -5.43324500   -4.25035100    0.04059200
 H                 -6.72697100   -0.21528900    0.75272100
 H                 -7.23615500   -2.54141400    0.04207900
 C                 -1.35667000    1.59852300    3.06963100
 H                 -1.03498400    1.93880600    4.06336900
 H                 -2.41524300    1.34721600    3.13764100
 H                 -1.22429700    2.42864300    2.38071700
 C                 -0.81992600   -0.85998100    3.48921600
 H                 -1.53631200   -0.62037900    4.27941600
 H                  0.08375800   -1.23198800    3.97760600
 
86    
TS4-Co-1-t  SCF Done:  E(UM06) =  -4115.37299765
 Co                -0.03987600   -0.27673900    0.37103000
 P                  0.56578400    2.06067800   -0.69458400
 P                  2.28141200   -0.82775700   -0.57617300
 C                  2.12358800    1.78291000   -1.69951800
 H                  2.94356200    2.22118300   -1.13101500
 H                  2.06139600    2.35268500   -2.62753700
 C                  1.03213400    3.49994200    0.37636300
 C                  0.15428200    4.57877500    0.55471400
 C                  2.23419100    3.49077100    1.10232700
 C                  0.47659600    5.62387100    1.41906400
 H                 -0.78240900    4.61409600    0.01178800
 C                  2.55520900    4.53884200    1.96285200
 H                  2.93851900    2.67138100    1.00652500
 C                  1.67815300    5.60983600    2.12426200
 H                 -0.21416000    6.45246600    1.53519500
 H                  3.49344800    4.51420900    2.50694000
 H                  1.92907100    6.42536000    2.79400700
 C                 -0.67828900    2.79888300   -1.83342900
 C                 -0.32706800    3.66956700   -2.87371400
 C                 -2.03209600    2.52656200   -1.60031700
 C                 -1.31176100    4.24389500   -3.67448000
 H                  0.71097500    3.91843900   -3.06361300
 C                 -3.01600200    3.11319300   -2.39513400
 H                 -2.31410200    1.85186800   -0.80044200
 C                 -2.65792600    3.96718700   -3.43638500
 H                 -1.02614300    4.91155800   -4.48055300
 H                 -4.06124700    2.89312900   -2.20512500
 H                 -3.42346900    4.41691700   -4.06000900
 C                  3.77779800   -0.51861100    0.46312000
 C                  3.85881800   -1.18906700    1.69395000
 C                  4.82551800    0.33382700    0.09260800
 C                  4.95840900   -1.01346300    2.52904000
 H                  3.06545700   -1.86510900    1.99776300
 C                  5.92310900    0.51568400    0.93528800
 H                  4.80881600    0.85467600   -0.85738500
 C                  5.99234100   -0.15510400    2.15379800
 H                  5.00581400   -1.54454300    3.47385200
 H                  6.72564500    1.17986400    0.63208000
 H                  6.84710200   -0.01330900    2.80649800
 C                  2.61521800   -2.50811800   -1.25554100
 C                  3.65308400   -2.74153500   -2.16862100
 C                  1.83815500   -3.58365600   -0.80790600
 C                  3.90052800   -4.03021500   -2.63561700
 H                  4.27745400   -1.92653800   -2.51838400
 C                  2.09772300   -4.87383300   -1.27106100
 H                  1.03556200   -3.40415100   -0.10127700
 C                  3.12371700   -5.09878700   -2.18663200
 H                  4.70258700   -4.19973600   -3.34653400
 H                  1.49182000   -5.70227100   -0.91853100
 H                  3.32029900   -6.10251300   -2.54914200
 C                  2.42507100    0.31204000   -2.03331500
 H                  1.69689300   -0.07065400   -2.75054900
 H                  3.40657500    0.24129200   -2.50733400
 I                 -1.15961100   -1.16512400   -2.08449700
 C                 -2.66737100   -0.68442200    1.68413500
 O                 -0.24934800   -2.10090100    1.30229600
 N                 -1.97912400    0.30854500    1.28903300
 C                 -2.10143000   -1.56855000    2.79866200
 C                 -1.10252600   -2.59144200    2.12424900
 O                 -1.17576000   -3.77449400    2.44785800
 C                 -0.69408000    0.58325500    2.92996500
 C                  0.60987200    0.47539400    2.41966600
 H                  1.18118800   -0.42776700    2.58966700
 H                  1.17189000    1.37293000    2.19674900
 C                 -3.14968600   -2.28968900    3.64874300
 H                 -2.66133800   -2.75615400    4.50588900
 H                 -3.66379200   -3.07722900    3.10275500
 H                 -3.89416100   -1.58279400    4.02429000
 C                 -3.97177400   -0.96265400    1.01980500
 C                 -4.32987900   -2.26138200    0.63139200
 C                 -4.83917000    0.10253600    0.74069400
 C                 -5.53610700   -2.48514100   -0.02577200
 H                 -3.66067200   -3.09302900    0.81698200
 C                 -6.05294100   -0.13016800    0.10010000
 H                 -4.56434100    1.10635300    1.04294400
 C                 -6.40235300   -1.42327700   -0.28736600
 H                 -5.79937800   -3.49146200   -0.33305400
 H                 -6.72411300    0.69861900   -0.09800100
 H                 -7.34604800   -1.60399800   -0.79089200
 C                 -1.21386900    1.95631700    3.27836400
 H                 -0.82874500    2.23089700    4.26792600
 H                 -2.30269100    1.97908600    3.32706100
 H                 -0.87432700    2.71036000    2.56841800
 C                 -1.28923100   -0.58934700    3.69361900
 H                 -1.96498900   -0.19482800    4.45660500
 H                 -0.50488000   -1.13721900    4.22102400
 
86    
TS4-Co-2-s  SCF Done:  E(RM06) =  -4115.38168037
 Co                -0.31880700   -0.02545200    0.95584400
 P                  0.53594400    1.41354500   -0.92811500
 P                 -1.82491700   -0.91061400   -0.71779800
 C                  0.05845300    0.41512100   -2.40803000
 H                  0.72629100   -0.44776800   -2.41515000
 H                  0.22358700    0.94735000   -3.34656700
 C                  2.34039700    1.74981100   -1.13977000
 C                  2.99932400    1.54925400   -2.36023900
 C                  3.05049200    2.31654300   -0.07192400
 C                  4.33528000    1.91657500   -2.51060000
 H                  2.48102600    1.11496100   -3.20674200
 C                  4.38423200    2.68876700   -0.22890400
 H                  2.57108900    2.46236600    0.88789400
 C                  5.02982500    2.49233800   -1.44839200
 H                  4.83003200    1.75642100   -3.46290500
 H                  4.91835600    3.12798900    0.60720800
 H                  6.06797800    2.78325400   -1.56970600
 C                 -0.14408200    3.10615100   -1.25264200
 C                 -0.78135300    3.45819900   -2.44808800
 C                  0.02659600    4.08987900   -0.26772200
 C                 -1.23631200    4.76157700   -2.65407500
 H                 -0.92658000    2.73321300   -3.23963500
 C                 -0.41433300    5.39249800   -0.48012700
 H                  0.50116400    3.84084100    0.67381700
 C                 -1.05180700    5.73241100   -1.67353900
 H                 -1.72939000    5.01376700   -3.58715300
 H                 -0.26807500    6.14038300    0.29224100
 H                 -1.40181500    6.74638300   -1.83621800
 C                 -1.66936300   -2.69489000   -1.19577300
 C                 -0.53606700   -3.14929500   -1.88464700
 C                 -2.67946500   -3.61638900   -0.88695700
 C                 -0.42584100   -4.48331900   -2.26865700
 H                  0.27456100   -2.47298300   -2.11646000
 C                 -2.56012200   -4.95466600   -1.26009100
 H                 -3.56950600   -3.29770400   -0.35901800
 C                 -1.43550200   -5.39231300   -1.95494300
 H                  0.45490400   -4.81208100   -2.81036800
 H                 -3.35403400   -5.65087400   -1.01100500
 H                 -1.34582900   -6.43197000   -2.25147700
 C                 -3.66150800   -0.73613700   -0.61015200
 C                 -4.43005200   -0.56437400   -1.77014900
 C                 -4.32073100   -0.86736600    0.61810800
 C                 -5.82086100   -0.50952700   -1.69856500
 H                 -3.95919100   -0.47841100   -2.74166400
 C                 -5.71184700   -0.82654100    0.68663000
 H                 -3.75421500   -0.98587600    1.53136300
 C                 -6.46578300   -0.64248700   -0.47065200
 H                 -6.39769300   -0.36825400   -2.60642400
 H                 -6.20330300   -0.92975000    1.64820200
 H                 -7.54858300   -0.60370600   -0.41623900
 C                 -1.40814200   -0.01928700   -2.30880800
 H                 -2.06188000    0.85431400   -2.34523300
 H                 -1.66964900   -0.65566500   -3.15597000
 I                 -2.13263700    1.81781900    1.72898800
 C                  2.23107800   -1.41699800    0.92579800
 O                  0.96867000    0.84927500    2.13327100
 N                  1.01842600   -1.47846200    0.51852900
 C                  2.48789400   -1.04357100    2.39835500
 C                  2.10662200    0.45811200    2.59754300
 O                  2.87114400    1.19856600    3.21315900
 C                  0.17947500   -2.08388300    2.27547500
 C                 -0.92621900   -1.19697000    2.48017500
 H                 -0.87514200   -0.52867600    3.32992800
 H                 -1.91488000   -1.60175600    2.29614000
 C                  3.87456800   -1.34236200    2.96912800
 H                  3.84750600   -1.24948600    4.05655400
 H                  4.63243800   -0.64960600    2.61069200
 H                  4.18531900   -2.36082000    2.72399500
 C                  3.32827700   -1.81586800   -0.00217000
 C                  4.53061600   -1.10244500   -0.10697100
 C                  3.14424700   -2.95003700   -0.80937000
 C                  5.52063900   -1.51561800   -0.99454700
 H                  4.68322400   -0.20091800    0.47132000
 C                  4.14351100   -3.37182500   -1.68090700
 H                  2.21746200   -3.50491100   -0.73345100
 C                  5.33613300   -2.65488200   -1.77698800
 H                  6.43828200   -0.94287900   -1.07524500
 H                  3.99102800   -4.26044400   -2.28460400
 H                  6.11534000   -2.98030000   -2.45823200
 C                 -0.10732900   -3.50242500    1.86618300
 H                 -0.39931100   -4.04434900    2.77546900
 H                  0.77126400   -3.99925500    1.45367400
 H                 -0.92769600   -3.57808300    1.15703800
 C                  1.42467400   -1.90325200    3.12878900
 H                  1.85873200   -2.88558500    3.33462700
 H                  1.16814600   -1.45685900    4.09199600
 
86    
TS4-Co-s  SCF Done:  E(RM06) =  -4115.38745818
 Co                 0.36235000    0.12531300   -0.70750900
 P                 -0.66207400   -0.65230500    1.47435100
 P                  2.40237900    0.25121300    0.53997200
 C                  0.84475800   -1.15531500    2.44950500
 H                  1.18666900   -2.11151500    2.05037600
 H                  0.58985700   -1.29785100    3.50202700
 C                 -1.77329200   -2.11700100    1.51704000
 C                 -1.46713800   -3.29054500    2.21715800
 C                 -2.98773500   -2.04127000    0.82068500
 C                 -2.35638200   -4.36501900    2.21918200
 H                 -0.54010600   -3.38051200    2.77017200
 C                 -3.87473500   -3.11472600    0.82637800
 H                 -3.24088000   -1.14666200    0.26441500
 C                 -3.56127400   -4.28062100    1.52478200
 H                 -2.10445800   -5.26707300    2.76712000
 H                 -4.80950400   -3.04031000    0.28065200
 H                 -4.25185500   -5.11746400    1.52738600
 C                 -1.49626800    0.51211500    2.65602900
 C                 -2.37994200    0.04119700    3.64015600
 C                 -1.20066500    1.88215900    2.61674400
 C                 -2.95003000    0.91832100    4.55975700
 H                 -2.62965900   -1.01183900    3.69123800
 C                 -1.77158600    2.75635600    3.54257400
 H                 -0.54325100    2.26934400    1.85032400
 C                 -2.64703100    2.27906100    4.51483800
 H                 -3.63242100    0.53623700    5.31215300
 H                 -1.53390300    3.81412600    3.49411900
 H                 -3.09392100    2.96108400    5.23079000
 C                  3.73067300   -0.95120500    0.11697200
 C                  4.07277500   -2.02497700    0.94492400
 C                  4.42743700   -0.77671800   -1.08750900
 C                  5.08561700   -2.90937800    0.57397800
 H                  3.55805500   -2.19072700    1.88332100
 C                  5.43715500   -1.66008500   -1.45634700
 H                  4.19423200    0.05801700   -1.73921500
 C                  5.76792900   -2.73198200   -0.62691400
 H                  5.33832400   -3.73709400    1.22819300
 H                  5.96709600   -1.50926000   -2.39089300
 H                  6.55508700   -3.42098300   -0.91411300
 C                  3.36577500    1.82995000    0.69554300
 C                  4.71827900    1.78046200    1.07164800
 C                  2.76032000    3.08195600    0.52057800
 C                  5.44562400    2.95315000    1.25959700
 H                  5.21305200    0.82825800    1.21740600
 C                  3.49616400    4.25259200    0.70554000
 H                  1.71508900    3.13884900    0.25389900
 C                  4.83829200    4.19390300    1.07234500
 H                  6.48908700    2.89366700    1.55105000
 H                  3.01209500    5.21313900    0.56172400
 H                  5.40742800    5.10672000    1.21436700
 C                  1.93351800   -0.08620100    2.31020000
 H                  1.58241100    0.87108500    2.70418300
 H                  2.82445900   -0.34469900    2.88698900
 I                  0.78186900   -2.50129400   -1.22586400
 C                 -2.16859900    1.07086400   -1.75436900
 O                  0.03153600    1.97348500   -0.24876200
 N                 -1.39396600    0.06152400   -1.73241600
 C                 -1.57166800    2.46419700   -2.02010100
 C                 -0.74994900    2.86926800   -0.76524900
 O                 -0.83466800    4.00574400   -0.30900300
 C                  0.05250100    0.80243300   -3.05692400
 C                  1.31330700    0.70841300   -2.38937300
 H                  1.80787000    1.64178500   -2.14408500
 H                  1.97395500   -0.09306700   -2.69812300
 C                 -2.54844800    3.56851700   -2.42477300
 H                 -1.99402500    4.44303700   -2.77005300
 H                 -3.17756200    3.89241100   -1.59806200
 H                 -3.19353300    3.23147200   -3.23986600
 C                 -3.63402500    0.86762500   -1.55001900
 C                 -4.35223100    1.62166000   -0.61087000
 C                 -4.29929100   -0.13678500   -2.26666100
 C                 -5.70572300    1.37285500   -0.39454600
 H                 -3.85142100    2.38384000   -0.02498200
 C                 -5.65763200   -0.36640400   -2.06574900
 H                 -3.74511100   -0.73009500   -2.98478500
 C                 -6.36432700    0.38561500   -1.12672700
 H                 -6.24525500    1.95257000    0.34695000
 H                 -6.16362300   -1.13598200   -2.63925600
 H                 -7.42126200    0.20193800   -0.96515300
 C                 -0.25468500   -0.18569600   -4.14814000
 H                  0.28770300    0.13592800   -5.04694000
 H                 -1.31723300   -0.21326600   -4.39182200
 H                  0.08337100   -1.18842600   -3.89010300
 C                 -0.59284700    2.17151300   -3.18797600
 H                 -1.16152300    2.20963400   -4.12117000
 H                  0.17267600    2.94917700   -3.24592200
 
86    
TS4-Co-t  SCF Done:  E(UM06) =  -4115.38108374
 Co                 0.27811500    0.10988700   -0.79464500
 P                 -0.63911100   -0.80564800    1.50248400
 P                  2.48885800    0.24318800    0.62101000
 C                  0.91965300   -1.39844100    2.33526900
 H                  1.26525600   -2.27783700    1.78809400
 H                  0.70407900   -1.70409100    3.36196900
 C                 -1.76702600   -2.26026100    1.52772100
 C                 -1.41391700   -3.50160900    2.07049200
 C                 -3.04100500   -2.10764100    0.96127700
 C                 -2.31692300   -4.56492800    2.05041500
 H                 -0.43779200   -3.65511600    2.51420600
 C                 -3.94208600   -3.16865900    0.94693300
 H                 -3.33425900   -1.15776100    0.52657000
 C                 -3.58195900   -4.40178800    1.49095000
 H                 -2.02756400   -5.52043000    2.47547500
 H                 -4.92379100   -3.03255300    0.50568100
 H                 -4.28291200   -5.22977900    1.47661900
 C                 -1.36043300    0.29636500    2.80423100
 C                 -1.99354200   -0.22840600    3.94130700
 C                 -1.23267200    1.68570600    2.67736100
 C                 -2.48483600    0.62004100    4.92995800
 H                 -2.11184100   -1.30045400    4.05516000
 C                 -1.72311100    2.53234800    3.67333200
 H                 -0.75924700    2.10097600    1.79572000
 C                 -2.34954300    2.00305900    4.79891100
 H                 -2.97453000    0.20104500    5.80306800
 H                 -1.61816800    3.60677000    3.56231100
 H                 -2.73444000    2.66237800    5.57003100
 C                  3.86211300   -0.87458500    0.11797700
 C                  4.23646400   -2.00956700    0.84497400
 C                  4.53870400   -0.58444800   -1.07664000
 C                  5.26520400   -2.83499700    0.38943000
 H                  3.73505800   -2.26781500    1.76999300
 C                  5.56780900   -1.40546900   -1.52697400
 H                  4.26970500    0.29210900   -1.65764200
 C                  5.93299900   -2.53632200   -0.79532900
 H                  5.54238200   -3.71136300    0.96593400
 H                  6.08331600   -1.16345300   -2.45046100
 H                  6.73282600   -3.17891100   -1.14779100
 C                  3.36113900    1.83823000    0.95590000
 C                  4.68880700    1.86533000    1.40815900
 C                  2.66919400    3.04652200    0.79598900
 C                  5.31004100    3.07834600    1.69582600
 H                  5.24317600    0.94197200    1.53189600
 C                  3.29690500    4.25820100    1.08676100
 H                  1.64254000    3.03623100    0.44891500
 C                  4.61593800    4.27776700    1.53493400
 H                  6.33739900    3.08566200    2.04514800
 H                  2.75147300    5.18742100    0.95702300
 H                  5.10309700    5.22170700    1.75655400
 C                  1.98828000   -0.29659300    2.33350100
 H                  1.60703900    0.60390700    2.82243000
 H                  2.86713600   -0.60271200    2.90596800
 I                  0.74935700   -2.56408700   -1.53329900
 C                 -2.27941300    1.20511800   -1.92692500
 O                 -0.18168500    2.05827800   -0.33739100
 N                 -1.53441600    0.19680000   -2.12389600
 C                 -1.69831800    2.59896200   -2.17664300
 C                 -0.85149600    2.99654400   -0.90996800
 O                 -0.85235300    4.17079100   -0.55180000
 C                 -0.06338700    1.01931100   -3.36423700
 C                  1.16842200    0.88111700   -2.69493300
 H                  1.62536400    1.74494700   -2.22709000
 H                  1.82496000    0.05828100   -2.94821400
 C                 -2.72282700    3.68182000   -2.52063600
 H                 -2.20253200    4.58999900   -2.82698700
 H                 -3.35641600    3.94145300   -1.67431500
 H                 -3.36239200    3.35817500   -3.34576300
 C                 -3.66870900    0.98725600   -1.42842900
 C                 -4.17356800    1.71665200   -0.34284600
 C                 -4.46790300    0.00517900   -2.02908000
 C                 -5.45779200    1.46327500    0.13160900
 H                 -3.56154300    2.46387000    0.14861500
 C                 -5.75909100   -0.22880100   -1.56395900
 H                 -4.07694700   -0.56079500   -2.86642000
 C                 -6.25541800    0.49682700   -0.48125300
 H                 -5.83526800    2.02374700    0.97993700
 H                 -6.37567900   -0.98017400   -2.04530700
 H                 -7.25958400    0.31043800   -0.11586200
 C                 -0.34147200    0.09692900   -4.52472300
 H                  0.19528500    0.47175700   -5.40457400
 H                 -1.40312400    0.05886800   -4.76990400
 H                  0.01322600   -0.91318000   -4.31703100
 C                 -0.73475500    2.38402800   -3.37838900
 H                 -1.31995500    2.47679400   -4.29675600
 H                  0.01387900    3.17979200   -3.39804900
 
86    
TS5-Co-1-s  SCF Done:  E(RM06) =  -4115.38009331
 Co                -0.39865300   -0.28162500    0.74558800
 P                  0.92034400   -0.02380800   -1.58807500
 P                 -2.27010500    0.31688500   -0.65359400
 C                 -0.47959800   -0.43547300   -2.74999700
 H                 -0.66686200   -1.50283000   -2.61914800
 H                 -0.17642100   -0.29483600   -3.79005400
 C                  2.29089900   -1.05446100   -2.30045000
 C                  3.44176500   -0.48547000   -2.86242200
 C                  2.17909900   -2.45359600   -2.27487200
 C                  4.44980600   -1.29293200   -3.38893900
 H                  3.55933600    0.59040200   -2.89678400
 C                  3.18503000   -3.25657400   -2.80770800
 H                  1.30860000   -2.92122300   -1.83063200
 C                  4.32514000   -2.68008500   -3.36642300
 H                  5.33200400   -0.83147400   -3.82084800
 H                  3.07651100   -4.33614900   -2.78248400
 H                  5.10884500   -3.30661700   -3.77942900
 C                  1.41063600    1.68856800   -2.09279500
 C                  1.00549600    2.29419100   -3.29035600
 C                  2.25111100    2.41009400   -1.23434400
 C                  1.41451400    3.58909100   -3.60721500
 H                  0.37679600    1.76486100   -3.99591600
 C                  2.67046700    3.69940900   -1.55489900
 H                  2.60784700    1.94976000   -0.32046700
 C                  2.24535500    4.29652800   -2.74043900
 H                  1.08543900    4.04133500   -4.53698700
 H                  3.32529400    4.23587000   -0.87635600
 H                  2.56254500    5.30370200   -2.98928400
 C                 -3.72292800   -0.81976900   -0.61063700
 C                 -4.62337600   -0.72135900    0.45943100
 C                 -3.94306900   -1.79440700   -1.59013500
 C                 -5.72054100   -1.57518000    0.54293600
 H                 -4.48040300    0.03043300    1.22790200
 C                 -5.04654700   -2.64270000   -1.50925500
 H                 -3.25780100   -1.91013800   -2.42127900
 C                 -5.93694100   -2.53736100   -0.44300800
 H                 -6.40924300   -1.48321000    1.37626800
 H                 -5.20521000   -3.38866100   -2.28097800
 H                 -6.79440700   -3.19907700   -0.38081100
 C                 -3.11758100    1.95338900   -0.45494700
 C                 -4.04459100    2.36697800   -1.42571900
 C                 -2.88493800    2.78154900    0.64704600
 C                 -4.70617500    3.58459100   -1.30131200
 H                 -4.26128900    1.73710000   -2.28164200
 C                 -3.55467400    3.99988200    0.77440800
 H                 -2.17932500    2.48576900    1.40953600
 C                 -4.46251400    4.40548100   -0.19913000
 H                 -5.41594200    3.89017400   -2.06289100
 H                 -3.36153400    4.62877800    1.63707900
 H                 -4.98099400    5.35339700   -0.10108300
 C                 -1.73788900    0.38348300   -2.44496700
 H                 -1.55887400    1.44010900   -2.65009700
 H                 -2.56053800    0.07864800   -3.09455900
 I                 -0.77628200   -2.85809800    0.27193500
 C                  1.86727900    0.10470000    2.57099000
 O                  0.05302500    1.73039900    1.16421500
 N                  0.84542100   -0.74251500    2.22729000
 C                  1.57412300    0.95741500    3.62370600
 C                  0.77556200    2.43951200    1.79091200
 O                  1.28693400    3.44573600    2.09872800
 C                 -0.23952200   -0.59907500    3.26850700
 C                 -1.46032600   -0.35561300    2.39382000
 H                 -1.94784000    0.60698900    2.54545400
 H                 -2.19003900   -1.16143000    2.37115200
 C                  2.50765900    1.77329900    4.46588500
 H                  2.27916900    2.84364200    4.40284300
 H                  3.55385200    1.64551100    4.18678600
 H                  2.40823400    1.49482900    5.52153900
 C                  3.18227200   -0.02726700    1.89530700
 C                  4.04955400    1.05915400    1.69433300
 C                  3.61374000   -1.30112000    1.49095500
 C                  5.30677000    0.87544800    1.12164800
 H                  3.74005200    2.05989900    1.97038100
 C                  4.87284800   -1.48525100    0.92702100
 H                  2.95192300   -2.14522400    1.63956300
 C                  5.72661600   -0.39794700    0.74082100
 H                  5.95661700    1.73141300    0.97113600
 H                  5.18779200   -2.48054100    0.63067700
 H                  6.70752200   -0.54117000    0.29961500
 C                 -0.33137600   -1.87838000    4.10340900
 H                 -1.12466800   -1.78859800    4.85414700
 H                  0.61291500   -2.06231500    4.62622100
 H                 -0.54699100   -2.74071500    3.47012100
 C                  0.19247000    0.61114600    4.14647500
 H                  0.25143600    0.32783200    5.20491800
 H                 -0.51270900    1.44988000    4.10755900
 
86    
TS5-Co-1-t  SCF Done:  E(UM06) =  -4115.38183280
 Co                 0.07430000   -0.19340700    0.16449400
 P                 -2.44333200   -0.47809000   -0.29524000
 P                 -0.26300000    2.12417100   -0.79864000
 C                 -2.89831300    1.11005200   -1.17518000
 H                 -3.33456100    1.77212500   -0.42804900
 H                 -3.68950800    0.90812900   -1.89871400
 C                 -3.68072100   -0.56897700    1.07818300
 C                 -4.23441400   -1.80631700    1.43938600
 C                 -4.01121200    0.55927400    1.84392100
 C                 -5.10347200   -1.90818200    2.52338600
 H                 -3.99682700   -2.69680000    0.86946900
 C                 -4.88462600    0.45499300    2.92545300
 H                 -3.60097600    1.53467900    1.60906900
 C                 -5.43379900   -0.77819200    3.26953000
 H                 -5.52513700   -2.87413600    2.78084600
 H                 -5.13322000    1.34254900    3.49761400
 H                 -6.11308600   -0.85798000    4.11145200
 C                 -2.98120800   -1.84807600   -1.40162500
 C                 -4.18696700   -1.80144600   -2.11571000
 C                 -2.19359100   -3.00278800   -1.47190200
 C                 -4.58643400   -2.88410900   -2.89474200
 H                 -4.83045300   -0.93027200   -2.06003500
 C                 -2.60112300   -4.09095100   -2.24324300
 H                 -1.25594800   -3.04814600   -0.93142400
 C                 -3.79448400   -4.03123700   -2.95909100
 H                 -5.51935800   -2.83408300   -3.44621700
 H                 -1.98129300   -4.98010300   -2.28819300
 H                 -4.10926300   -4.87509300   -3.56398200
 C                 -0.71189500    3.56616200    0.26405900
 C                  0.22231100    3.98455500    1.22518400
 C                 -1.91896500    4.26677200    0.14714600
 C                 -0.04559600    5.07881700    2.04342400
 H                  1.16787400    3.46252200    1.33217600
 C                 -2.18735000    5.35759100    0.97465600
 H                 -2.65728000    3.98600600   -0.59424300
 C                 -1.25350100    5.76599300    1.92368100
 H                  0.68960900    5.39223300    2.77710500
 H                 -3.12703400    5.88955800    0.86932400
 H                 -1.46334800    6.61579400    2.56445800
 C                  1.02898000    2.83783300   -1.89992500
 C                  0.70978900    3.56843500   -3.05136700
 C                  2.37306200    2.68160400   -1.53829100
 C                  1.72127100    4.12590000   -3.83188300
 H                 -0.32204100    3.71047400   -3.35137300
 C                  3.38006800    3.25246800   -2.31410400
 H                  2.63298800    2.11287700   -0.65235400
 C                  3.05704100    3.97124400   -3.46420800
 H                  1.46252800    4.68396400   -4.72569500
 H                  4.41783600    3.12630700   -2.02362400
 H                  3.84232300    4.40838800   -4.07198200
 C                 -1.73091200    1.81111600   -1.89257900
 H                 -1.35084700    1.18870500   -2.70504100
 H                 -2.09462000    2.73665200   -2.34400600
 I                  1.00121900   -1.02551500   -2.27569600
 C                  2.20998100   -1.54620800    1.85369500
 O                  2.73642300    1.41066300    1.68287500
 N                  0.91122200   -1.29344700    1.60026900
 C                  2.69022800   -0.96740400    3.05086000
 C                  3.61409000    0.74282200    2.15283500
 O                  4.78329500    0.64185000    2.38149200
 C                  0.29444300   -0.63713600    2.79147200
 C                 -0.32628000    0.57362200    2.13673300
 H                  0.27978600    1.46898000    2.13885100
 H                 -1.39095400    0.74381600    2.25394600
 C                  3.77350900   -1.57987100    3.90371100
 H                  4.23805900   -0.83077400    4.54866900
 H                  4.56461000   -2.03723900    3.31059900
 H                  3.35144700   -2.35582700    4.55548600
 C                  2.97095200   -2.44866100    0.95735400
 C                  4.31980200   -2.23962700    0.63296000
 C                  2.33029800   -3.59144600    0.45440100
 C                  5.00178600   -3.14450600   -0.17721700
 H                  4.83611700   -1.36198200    1.00052400
 C                  3.01855200   -4.50386400   -0.33959800
 H                  1.29036100   -3.76332000    0.70438500
 C                  4.35670500   -4.28164600   -0.66255200
 H                  6.04126400   -2.96006800   -0.42824700
 H                  2.50785400   -5.38644600   -0.71082100
 H                  4.89293900   -4.98877900   -1.28699000
 C                 -0.73567500   -1.57569900    3.41865600
 H                 -1.21903500   -1.09383100    4.27454100
 H                 -0.24909100   -2.48954300    3.77069600
 H                 -1.50894200   -1.85508000    2.70027700
 C                  1.48143300   -0.34606200    3.75900200
 H                  1.32223600   -0.82886200    4.72985700
 H                  1.60040200    0.72061600    3.95471300
 
86   
TS5-Co-s  SCF Done:  E(RM06) =  -4115.39218958 
 Co                 0.15960200   -0.10465000    0.38745300
 P                 -0.17079300    1.82231600   -0.83325500
 P                  2.35802300   -0.16828600   -0.55129800
 C                  1.36877900    2.10156800   -1.85858300
 H                  1.96706100    2.84456400   -1.33331800
 H                  1.09121100    2.55351100   -2.81060100
 C                 -0.36992500    3.44606500    0.03544400
 C                 -1.63442300    4.04316200    0.13289300
 C                  0.72404300    4.09476300    0.62740600
 C                 -1.79795900    5.25888200    0.79413200
 H                 -2.49887400    3.56621900   -0.31163100
 C                  0.55859100    5.31157100    1.28509600
 H                  1.71810500    3.66518200    0.58700300
 C                 -0.70273400    5.89820000    1.37053500
 H                 -2.78481100    5.70537800    0.85428200
 H                  1.41931800    5.79909300    1.73024800
 H                 -0.82987800    6.84645100    1.88174100
 C                 -1.58102800    1.87610300   -2.01798600
 C                 -1.56743900    2.75360200   -3.11149900
 C                 -2.72339900    1.10919700   -1.77559600
 C                 -2.66962200    2.84040200   -3.95879800
 H                 -0.71217600    3.38922500   -3.30910100
 C                 -3.83067900    1.20891600   -2.61666000
 H                 -2.74164000    0.43448900   -0.93223700
 C                 -3.80412900    2.06757100   -3.71338600
 H                 -2.64166200    3.51748000   -4.80599600
 H                 -4.70969000    0.60594400   -2.41519900
 H                 -4.66330100    2.13845600   -4.37224600
 C                  3.68173500    0.65675000    0.44151100
 C                  4.05530400    0.05689800    1.65430500
 C                  4.33502300    1.82922300    0.04414900
 C                  5.05243300    0.61662300    2.44731300
 H                  3.57459400   -0.86025700    1.97956000
 C                  5.33130200    2.39266300    0.84334900
 H                  4.09404900    2.31048100   -0.89593600
 C                  5.69083000    1.79068400    2.04603900
 H                  5.33029800    0.13578900    3.37929100
 H                  5.82771900    3.30059100    0.51736300
 H                  6.46612900    2.22892900    2.66538200
 C                  3.24915500   -1.69445400   -1.09385100
 C                  4.36125300   -1.58413200   -1.94179900
 C                  2.87321400   -2.95889700   -0.63070500
 C                  5.06957200   -2.71894100   -2.32894600
 H                  4.68962000   -0.61521900   -2.30126500
 C                  3.59164800   -4.09255000   -1.00982700
 H                  2.01462100   -3.05922200    0.01756900
 C                  4.68691300   -3.97645100   -1.86253800
 H                  5.92335700   -2.61832700   -2.99085400
 H                  3.28817100   -5.06689700   -0.64134000
 H                  5.24193500   -4.85960700   -2.16112900
 C                  2.18134800    0.82721800   -2.10198900
 H                  1.66339800    0.16805600   -2.80050400
 H                  3.14799700    1.07439800   -2.54471600
 I                 -0.61867900   -1.81855500   -1.74467600
 C                 -2.15641100   -1.00679700    1.93416200
 O                  0.55519500   -1.89608400    1.48869200
 N                 -1.50503600    0.12640300    1.50512300
 C                 -1.75110300   -1.47200000    3.17479800
 C                 -0.10311300   -2.77257000    1.95286900
 O                 -0.37411300   -3.87542000    2.23667100
 C                 -0.69613000    0.64338400    2.67773400
 C                  0.66928300    0.84079600    2.03605500
 H                  1.47563100    0.26617600    2.48650200
 H                  0.97275300    1.87664100    1.90920800
 C                 -2.44631200   -2.45896100    4.06312000
 H                 -1.73967600   -3.17252200    4.49931600
 H                 -3.21060300   -3.03188100    3.53780700
 H                 -2.93046000   -1.94507700    4.90383800
 C                 -3.31320700   -1.54791500    1.17115200
 C                 -3.48244600   -2.91198200    0.89582500
 C                 -4.33108000   -0.66211200    0.78727600
 C                 -4.62769400   -3.37309700    0.24963800
 H                 -2.71013200   -3.61907800    1.17158800
 C                 -5.48044800   -1.12334400    0.14909600
 H                 -4.21992400    0.39283900    1.00934900
 C                 -5.63195900   -2.48208600   -0.12628800
 H                 -4.73251100   -4.43213600    0.03661000
 H                 -6.25989200   -0.42083400   -0.12842800
 H                 -6.52480200   -2.84313300   -0.62635000
 C                 -1.32458600    1.92856400    3.22142100
 H                 -0.73981300    2.30708600    4.06741000
 H                 -2.34279400    1.73373200    3.57431700
 H                 -1.37092100    2.70619300    2.45985800
 C                 -0.76350700   -0.47920300    3.75585100
 H                 -1.14392700   -0.08478900    4.70638500
 H                  0.21382300   -0.91609200    3.98601800
 
86   
TS5-Co-t  SCF Done:  E(UM06) =  -3926.85141656
 Co                -0.39338100   -0.11493300    0.67355300
 P                  0.83592000   -0.34642600   -1.43973000
 P                 -2.15851000    0.49565400   -0.68304100
 C                 -0.54502700   -0.77655100   -2.62353900
 H                 -0.87070700   -1.78469400   -2.36064500
 H                 -0.18223100   -0.80146300   -3.65349800
 C                  2.15711500   -1.55188500   -1.91206700
 C                  1.84712600   -2.91242900   -2.06143600
 C                  3.48359400   -1.14186200   -2.10002900
 C                  2.83470300   -3.83031700   -2.41295900
 H                  0.83826600   -3.26510700   -1.88687000
 C                  4.46951100   -2.06319300   -2.45045500
 H                  3.75534400   -0.10020300   -1.98049700
 C                  4.14864300   -3.40939200   -2.61288000
 H                  2.57347800   -4.87719600   -2.52997200
 H                  5.48986500   -1.72404500   -2.59687800
 H                  4.91592900   -4.12489400   -2.88989400
 C                  1.45773700    1.24856700   -2.14246300
 C                  1.74643200    1.39387900   -3.50845400
 C                  1.62725900    2.35276500   -1.30007700
 C                  2.18622800    2.61321100   -4.01516500
 H                  1.63769600    0.55162900   -4.18326300
 C                  2.07274600    3.57484500   -1.80626700
 H                  1.41616900    2.26204700   -0.24107300
 C                  2.34993500    3.70775200   -3.16403600
 H                  2.40321100    2.70946000   -5.07393000
 H                  2.19986000    4.41980800   -1.13777700
 H                  2.69347100    4.65772900   -3.55993400
 C                 -3.78464500   -0.33388200   -0.44607400
 C                 -4.65511700    0.13155900    0.54965700
 C                 -4.15413300   -1.45670200   -1.19567900
 C                 -5.87210000   -0.50555500    0.78043000
 H                 -4.39178900    1.00088800    1.14177600
 C                 -5.37503500   -2.08939700   -0.96678400
 H                 -3.49399900   -1.85352700   -1.95767900
 C                 -6.23675000   -1.61678000    0.02090600
 H                 -6.53658000   -0.12945800    1.55138500
 H                 -5.64872300   -2.95525900   -1.56058500
 H                 -7.18649500   -2.11048900    0.19796500
 C                 -2.60067000    2.28701400   -0.65283900
 C                 -3.66315500    2.78289800   -1.42349900
 C                 -1.83859100    3.18264100    0.10452800
 C                 -3.95219900    4.14454700   -1.43336000
 H                 -4.27079800    2.10656600   -2.01531200
 C                 -2.12933500    4.54729200    0.09482900
 H                 -1.01698400    2.81558000    0.70809700
 C                 -3.18609900    5.02974600   -0.67318800
 H                 -4.77659400    4.51507200   -2.03360300
 H                 -1.53023400    5.22899400    0.68930600
 H                 -3.41449600    6.09035800   -0.68032400
 C                 -1.69744600    0.22258000   -2.47971400
 H                 -1.39746500    1.19921100   -2.86498400
 H                 -2.56789600   -0.09051400   -3.05935400
 I                 -1.01988500   -3.15117000    0.60344300
 C                  1.89378400    0.71745500    2.66418500
 N                  0.83170200    0.00451600    2.23861900
 C                  1.61803000    1.44416300    3.82760200
 C                 -0.26440000    0.10228800    3.24810300
 C                 -1.46936400    0.26924300    2.32839600
 H                 -1.89016500    1.27624700    2.35035300
 H                 -2.25674200   -0.47170700    2.46438900
 C                  2.54769100    2.24681800    4.66644800
 H                  2.31964900    3.31821500    4.59422900
 H                  3.59291000    2.10703800    4.39084400
 H                  2.42843800    1.98257900    5.72310100
 C                  3.20657500    0.66570200    1.97909100
 C                  3.92218300    1.83714200    1.69373100
 C                  3.78022300   -0.57166400    1.65681400
 C                  5.18366700    1.77223900    1.10636900
 H                  3.48537800    2.80373200    1.92072000
 C                  5.04665800   -0.63582000    1.08192900
 H                  3.23684000   -1.48390600    1.87583600
 C                  5.75254600    0.53487800    0.80647500
 H                  5.72218100    2.68778600    0.88504400
 H                  5.48125100   -1.60105100    0.84598300
 H                  6.73940100    0.48341400    0.35834300
 C                 -0.30472500   -1.18938500    4.07674800
 H                 -1.12038900   -1.13243700    4.80358400
 H                  0.63191300   -1.33609700    4.62368800
 H                 -0.47313200   -2.05001800    3.42889100
 C                  0.15815300    1.30162900    4.13837500
 H                 -0.03760100    1.14702700    5.20391700
 H                 -0.37661300    2.21759700    3.84955600
 
83   
TS6-Co-s  SCF Done:  E(RM06) =  -3926.82875816
 Co                 0.05278900   -0.06386700    0.52244400
 P                 -0.60813900    1.66161700   -0.81277700
 P                  2.09012800   -0.10630700   -0.64191300
 C                  0.70184900    1.87054800   -2.14325900
 H                  1.23453300    2.79471100   -1.92439300
 H                  0.20566000    2.02829100   -3.10116900
 C                 -0.74879700    3.35828600   -0.06864900
 C                 -1.99664500    3.81203900    0.38219600
 C                  0.36868800    4.18273600    0.12660200
 C                 -2.12524000    5.05868000    0.99175700
 H                 -2.88000700    3.19915500    0.25003400
 C                  0.23754600    5.43268200    0.72875100
 H                  1.35886400    3.86117100   -0.17409400
 C                 -1.01003600    5.87637900    1.16250900
 H                 -3.10200300    5.39072300    1.32773200
 H                  1.11555800    6.05609600    0.86091100
 H                 -1.11133100    6.84939900    1.63130800
 C                 -2.22858300    1.56350600   -1.69036500
 C                 -2.48325000    2.34456000   -2.82544900
 C                 -3.25558700    0.77560900   -1.16188000
 C                 -3.73708200    2.31777600   -3.43284600
 H                 -1.71660800    2.98953900   -3.24059400
 C                 -4.51376600    0.76221700   -1.76213900
 H                 -3.06589300    0.16889200   -0.28660700
 C                 -4.75546000    1.52679100   -2.90197600
 H                 -3.91796700    2.92078100   -4.31653700
 H                 -5.30130700    0.14552600   -1.34166400
 H                 -5.73257300    1.50959000   -3.37345600
 C                  3.49588700    0.88045700    0.05129500
 C                  4.16689300    0.37655100    1.17646600
 C                  3.90770400    2.10977200   -0.47594700
 C                  5.22061900    1.07932200    1.75306700
 H                  3.87381500   -0.57820500    1.60178100
 C                  4.96229600    2.81672700    0.10511900
 H                  3.42876800    2.52722200   -1.35321600
 C                  5.62049400    2.30541500    1.22007300
 H                  5.72960800    0.66899100    2.61900600
 H                  5.26902500    3.76565400   -0.32233100
 H                  6.44106900    2.85446000    1.66956700
 C                  2.96904800   -1.66829100   -1.07672000
 C                  3.89270200   -1.72682200   -2.12850000
 C                  2.75759200   -2.80660000   -0.29219100
 C                  4.58079400   -2.90901300   -2.39498400
 H                  4.08550000   -0.85504600   -2.74431500
 C                  3.45760000   -3.98407000   -0.54999700
 H                  2.03289000   -2.77126300    0.51297500
 C                  4.36696400   -4.03846100   -1.60500600
 H                  5.28791500   -2.94520000   -3.21722500
 H                  3.28517400   -4.85949900    0.06743200
 H                  4.90745500   -4.95635800   -1.81135900
 C                  1.68808900    0.69506300   -2.27071500
 H                  1.24080600   -0.10261200   -2.86222600
 H                  2.58991000    1.02264600   -2.79169400
 I                 -0.78812000   -1.89062400   -1.52551600
 C                 -1.22817800   -1.32118500    2.05697300
 N                 -1.35189300    0.05231700    1.96947200
 C                 -0.10279600   -1.73491500    2.76916100
 C                 -0.28011800    0.63332000    2.88914800
 C                  0.74431800    1.13900700    1.89705200
 H                  1.77810000    0.91395800    2.15308800
 H                  0.64446400    2.19678200    1.67173300
 C                  0.35669400   -3.12679000    3.08636400
 H                  1.24023600   -3.09882800    3.72685000
 H                  0.61632000   -3.70784400    2.19935300
 H                 -0.41807600   -3.69370700    3.61835300
 C                 -2.37265900   -2.17899900    1.65239600
 C                 -2.26276000   -3.54550300    1.35106600
 C                 -3.65937000   -1.61755500    1.69637800
 C                 -3.39447000   -4.31648200    1.10056900
 H                 -1.29098300   -4.01110100    1.27600400
 C                 -4.79174700   -2.38868900    1.44456500
 H                 -3.75874100   -0.56885800    1.94562700
 C                 -4.66536400   -3.74405800    1.14494000
 H                 -3.28050300   -5.36895700    0.86102600
 H                 -5.77415200   -1.92928700    1.49015800
 H                 -5.54567300   -4.34813100    0.95038400
 C                 -0.88270500    1.68708200    3.81122600
 H                 -0.11590700    2.09466300    4.47868600
 H                 -1.67851800    1.25663900    4.42753900
 H                 -1.30630400    2.51242100    3.23434400
 C                  0.32132000   -0.57961900    3.62679600
 H                 -0.12644000   -0.71099800    4.62459400
 H                  1.40089100   -0.49464600    3.77971600

83   
TS6-Co-t  SCF Done:  E(UM06) =  -3926.81146279
 Co                -0.13264400    0.21777600   -0.59570800
 P                 -1.14361600   -1.69297700    0.53792200
 P                  2.13681000   -0.51744800    0.39593200
 C                  0.35224400   -2.68659100    1.01027800
 H                  0.65659900   -3.20116400    0.09662200
 H                  0.09246100   -3.46581000    1.73004000
 C                 -2.18764000   -2.85005100   -0.44949600
 C                 -2.95262200   -2.33917400   -1.50599600
 C                 -2.28558800   -4.21142500   -0.13084600
 C                 -3.80348900   -3.17536600   -2.22838800
 H                 -2.86517700   -1.29247300   -1.77896200
 C                 -3.12758600   -5.04596100   -0.86251200
 H                 -1.71333500   -4.62951900    0.69005900
 C                 -3.89037900   -4.52913800   -1.90988900
 H                 -4.39133800   -2.76803900   -3.04424000
 H                 -3.19089300   -6.09934700   -0.61047600
 H                 -4.54834400   -5.18040000   -2.47557200
 C                 -2.15010600   -1.53965900    2.07842300
 C                 -1.68126100   -1.92509400    3.33876300
 C                 -3.44325600   -1.00743100    1.97237700
 C                 -2.48980200   -1.78547400    4.46763400
 H                 -0.68761400   -2.33824800    3.46287800
 C                 -4.24946600   -0.87338400    3.09807400
 H                 -3.82905800   -0.69786600    1.00657800
 C                 -3.77418100   -1.26113200    4.35150900
 H                 -2.11023000   -2.09058900    5.43721300
 H                 -5.24894200   -0.46353100    2.99668800
 H                 -4.40179800   -1.15443100    5.22992500
 C                  3.36592400   -1.41945200   -0.65986000
 C                  4.19430100   -0.65281200   -1.49518300
 C                  3.49401900   -2.81334200   -0.69349800
 C                  5.12510500   -1.26093700   -2.33191800
 H                  4.12542100    0.43017500   -1.48277700
 C                  4.42427400   -3.42338400   -1.53709200
 H                  2.88302400   -3.44413600   -0.05960700
 C                  5.24114300   -2.65141300   -2.35832400
 H                  5.76056100   -0.64850200   -2.96310500
 H                  4.50908200   -4.50509300   -1.54469500
 H                  5.96463800   -3.12677700   -3.01207100
 C                  3.29370900    0.43967100    1.48082700
 C                  4.25638400   -0.21519100    2.26369200
 C                  3.24988600    1.83708100    1.49124800
 C                  5.14441600    0.51489200    3.04918100
 H                  4.32764600   -1.29750800    2.25743900
 C                  4.14718000    2.56819200    2.27085200
 H                  2.50023000    2.35299500    0.90642400
 C                  5.09245200    1.90955400    3.05317100
 H                  5.88074500   -0.00515300    3.65323500
 H                  4.10128700    3.65233100    2.26827400
 H                  5.78787700    2.47777100    3.66219600
 C                  1.49835600   -1.82301600    1.57124700
 H                  1.16510700   -1.26603900    2.44950900
 H                  2.31329400   -2.46876100    1.90561100
 I                 -0.53830800    1.84943100    1.62824100
 C                 -0.75247300    1.90840800   -2.12721500
 N                 -1.21759400    0.75333000   -2.66104900
 C                  0.65574500    2.02194900   -2.17202300
 C                 -0.03549300    0.01595800   -3.22595200
 C                  0.24111700   -1.04382900   -2.18014500
 H                  1.26005700   -1.42652000   -2.16900000
 H                 -0.47880500   -1.85774600   -2.21500300
 C                  1.52167800    3.15233400   -1.71845900
 H                  2.52622700    2.79556100   -1.47743100
 H                  1.12284000    3.65675400   -0.83799600
 H                  1.64671900    3.90364100   -2.51187200
 C                 -1.75499900    2.91663700   -1.68604800
 C                 -1.50072300    4.28952700   -1.79364000
 C                 -3.03135600    2.50705000   -1.27010900
 C                 -2.48281100    5.22597400   -1.46941000
 H                 -0.54206200    4.63973700   -2.15308800
 C                 -4.00975000    3.43877100   -0.94491000
 H                 -3.24692900    1.44813700   -1.20098400
 C                 -3.73814700    4.80558200   -1.03841400
 H                 -2.26462800    6.28496300   -1.56265400
 H                 -4.98739600    3.10037100   -0.61663600
 H                 -4.50199900    5.53355200   -0.78498000
 C                 -0.37037000   -0.55474000   -4.60366200
 H                  0.49140400   -1.08666700   -5.01836300
 H                 -0.64346000    0.24596200   -5.29804000
 H                 -1.20740000   -1.25450900   -4.54301100
 C                  1.11434600    1.04809500   -3.22898900
 H                  1.18769300    1.56668200   -4.19847100
 H                  2.08877200    0.59341500   -3.03858900
 
83   
TS7-Co-1-s  SCF Done:  E(RM06) =  -3926.81806428
 Co                -0.11864600   -0.28746200    0.53107200
 P                 -0.10301600    1.92049000   -0.56077700
 P                 -2.14411500   -0.55058800   -0.46870300
 C                 -1.19749900    1.59985900   -2.03667400
 H                 -0.64267700    0.95304800   -2.71722300
 H                 -1.41614400    2.53152100   -2.56271600
 C                  1.35253800    2.79177600   -1.29936300
 C                  1.88862200    2.38876300   -2.53098200
 C                  1.97418700    3.84549900   -0.61278400
 C                  3.00637500    3.02997500   -3.06331200
 H                  1.44552400    1.56904400   -3.08076500
 C                  3.09399800    4.48121100   -1.14416100
 H                  1.57936600    4.18585500    0.33742700
 C                  3.61379800    4.07647400   -2.37274400
 H                  3.40083700    2.70712700   -4.02127700
 H                  3.55658600    5.29631300   -0.59728300
 H                  4.48371200    4.57385300   -2.78871800
 C                 -1.01039600    3.32007500    0.25291700
 C                 -1.28992300    4.50488100   -0.44746200
 C                 -1.45609700    3.20432400    1.57323200
 C                 -1.99851000    5.53773900    0.15842300
 H                 -0.94582000    4.63014500   -1.46837900
 C                 -2.16318800    4.24134300    2.18433500
 H                 -1.25803600    2.29815900    2.13106400
 C                 -2.43665600    5.40872600    1.47783300
 H                 -2.20749800    6.44524300   -0.39840400
 H                 -2.49865600    4.13165000    3.21017100
 H                 -2.98704600    6.21586000    1.94968700
 C                 -2.36434700   -2.02863800   -1.54894900
 C                 -2.69642500   -3.26410000   -0.97531300
 C                 -2.16605400   -1.96143600   -2.93312300
 C                 -2.83153800   -4.40117300   -1.76833100
 H                 -2.86558300   -3.34416900    0.09210500
 C                 -2.30821500   -3.09885000   -3.72636100
 H                 -1.89663000   -1.02644800   -3.40897700
 C                 -2.63900600   -4.32190900   -3.14701200
 H                 -3.09280400   -5.34793600   -1.30722100
 H                 -2.15633200   -3.02596000   -4.79816900
 H                 -2.74833800   -5.20680300   -3.76511400
 C                 -3.68064800   -0.59206300    0.56269300
 C                 -4.91430600   -0.88999000   -0.03744900
 C                 -3.65827500   -0.25708900    1.91989900
 C                 -6.09122300   -0.85171300    0.70520300
 H                 -4.96023700   -1.15843600   -1.08692700
 C                 -4.83727800   -0.22218000    2.66488700
 H                 -2.71932000   -0.02051900    2.40393900
 C                 -6.05559800   -0.51931600    2.05967000
 H                 -7.03619300   -1.08391300    0.22534200
 H                 -4.79882900    0.03539200    3.71801600
 H                 -6.97277800   -0.49378900    2.63855200
 C                 -2.48714900    0.92374000   -1.56952900
 H                 -3.07490700    1.61568400   -0.96208700
 H                 -3.11788200    0.63279200   -2.41186300
 I                  1.36666500   -1.29533100   -1.48566400
 C                  2.40256000   -1.23652900    1.98753800
 N                  1.70316400   -2.20535100    2.47994400
 C                  1.65837500    0.05961200    1.94226800
 C                  0.34256300   -1.72006300    2.72059100
 C                 -0.46012200   -2.04383500    1.44771700
 H                 -1.50911700   -2.21442900    1.69588500
 H                 -0.06359500   -2.88294800    0.87960400
 C                  2.28495600    1.42623700    1.89340800
 H                  1.52376200    2.20057300    1.99346200
 H                  2.83346800    1.61777500    0.97167000
 H                  2.98197000    1.56134700    2.72893000
 C                  3.80794900   -1.49988000    1.56969700
 C                  4.79979900   -0.51198400    1.49280500
 C                  4.17752500   -2.82567800    1.28007200
 C                  6.10936300   -0.83659500    1.13617500
 H                  4.57429500    0.51786900    1.72495800
 C                  5.48026400   -3.14882000    0.92234100
 H                  3.42086900   -3.59764000    1.33880700
 C                  6.45616200   -2.15282900    0.84672900
 H                  6.85825100   -0.05262200    1.08875500
 H                  5.73576700   -4.17933500    0.69694100
 H                  7.47402600   -2.40256300    0.56538700
 C                 -0.22270900   -2.25716100    4.02853200
 H                 -1.24491900   -1.90367000    4.18750200
 H                  0.38624300   -1.93629500    4.87965200
 H                 -0.23704500   -3.34982300    4.01159100
 C                  0.43743600   -0.18764500    2.60336200
 H                  0.02386300    0.49024200    3.34648300
 H                 -0.80099600    0.25618300    1.74236100
 
83   
TS7-Co-1-t  SCF Done:  E(UM06) =  -3926.79834891
 Co                 0.26867400   -0.27095800   -0.66751300
 P                 -0.15900600    0.46398800    1.67655400
 P                  2.72685200    0.10054500    0.03599300
 C                  1.42243800    0.02994000    2.56593600
 H                  1.47444500   -1.06071000    2.60579200
 H                  1.39638500    0.40287600    3.59284100
 C                 -1.49449600   -0.36165300    2.63352800
 C                 -1.28063100   -1.00404300    3.85898700
 C                 -2.78893600   -0.34351200    2.09457800
 C                 -2.34196400   -1.60927400    4.53287800
 H                 -0.29191000   -1.03948200    4.30063100
 C                 -3.84796100   -0.94037300    2.77235900
 H                 -2.97039200    0.13024300    1.13548500
 C                 -3.62609500   -1.57616200    3.99434200
 H                 -2.16096500   -2.10549400    5.48062800
 H                 -4.84343500   -0.91691600    2.34195100
 H                 -4.44983200   -2.04658300    4.52079700
 C                 -0.36098500    2.25260300    2.10687900
 C                 -0.90607100    2.66427000    3.33159300
 C                  0.07874100    3.22793900    1.20312900
 C                 -1.00347000    4.01859200    3.64238400
 H                 -1.26302500    1.92926400    4.04425400
 C                 -0.01103300    4.58354000    1.51875800
 H                  0.48713100    2.93096500    0.24455800
 C                 -0.55420700    4.98141500    2.73845400
 H                 -1.43154100    4.32167200    4.59227100
 H                  0.33777100    5.32515600    0.80782100
 H                 -0.63107600    6.03563000    2.98290500
 C                  3.83153300   -1.37362400   -0.00349500
 C                  4.28032800   -1.82132100   -1.25561700
 C                  4.18409400   -2.10313900    1.13694400
 C                  5.07603600   -2.95793300   -1.36007500
 H                  4.01307300   -1.27606400   -2.15556200
 C                  4.97787800   -3.24613200    1.03033000
 H                  3.84644800   -1.79481000    2.11952000
 C                  5.42745000   -3.67546300   -0.21556000
 H                  5.41957800   -3.28559300   -2.33580500
 H                  5.24290200   -3.79861300    1.92585600
 H                  6.04516500   -4.56362600   -0.29685400
 C                  3.79635400    1.42303500   -0.68470800
 C                  5.17470200    1.48729300   -0.43416700
 C                  3.20610300    2.41416100   -1.47842100
 C                  5.94041900    2.52344700   -0.96264800
 H                  5.65418600    0.72323300    0.16793500
 C                  3.97351000    3.45260300   -2.00633500
 H                  2.14324000    2.37389100   -1.68883400
 C                  5.34160700    3.50817800   -1.74976300
 H                  7.00600100    2.56148900   -0.76126500
 H                  3.50217400    4.21162700   -2.62184400
 H                  5.94096500    4.31242500   -2.16338000
 C                  2.63640700    0.61828000    1.83135100
 H                  2.56971400    1.70930900    1.81698900
 H                  3.56281600    0.37651800    2.35728700
 I                  0.10151100   -2.95785400   -0.08555700
 C                 -3.11719400    0.53840800   -2.25009600
 N                 -2.23826200   -0.12948600   -2.94166100
 C                 -2.63280500    1.84957700   -1.80603400
 C                 -1.05724800    0.73790800   -3.15746900
 C                  0.20155400    0.01979600   -2.68509900
 H                  1.08332300    0.63428200   -2.88176200
 H                  0.33075300   -0.96685900   -3.13977400
 C                 -3.33154900    2.84306700   -0.93611600
 H                 -2.61500000    3.51772400   -0.46488800
 H                 -3.92022400    2.36332600   -0.14926300
 H                 -4.02720200    3.46273000   -1.51371700
 C                 -4.44290000   -0.05030400   -1.93444700
 C                 -5.60547100    0.73257800   -1.91417000
 C                 -4.55406100   -1.42695900   -1.68709500
 C                 -6.84683400    0.15388300   -1.65546500
 H                 -5.55178100    1.79329600   -2.12831000
 C                 -5.79252100   -2.00180400   -1.41889100
 H                 -3.66010100   -2.03920300   -1.70119100
 C                 -6.94410800   -1.21315400   -1.40254200
 H                 -7.73791000    0.77296100   -1.65459600
 H                 -5.85974400   -3.06661700   -1.22127000
 H                 -7.90991800   -1.66204300   -1.19517800
 C                 -1.02311300    1.15595700   -4.63777900
 H                 -0.18345100    1.83146800   -4.82206700
 H                 -1.94593100    1.65786400   -4.94146000
 H                 -0.89335000    0.27185600   -5.26635600
 C                 -1.30390000    1.89906900   -2.20843600
 H                 -0.72005300    2.81433100   -2.24081300
 H                 -0.56293600    1.21487200   -1.12057100

83   
TS7-Co-2-s  SCF Done:  E(RM06) =  -3926.81334937 
 Co                -0.43421200   -0.15359000   -0.70562200
 P                  0.72698900    0.11231500    1.34985600
 P                 -2.37033300    0.24558300    0.43886600
 C                 -0.62527400    0.33648300    2.64281000
 H                 -0.68614900    1.39897900    2.87328500
 H                 -0.31450700   -0.16018500    3.56252900
 C                  1.74314100    1.65033900    1.55519800
 C                  3.14087800    1.58905300    1.46524200
 C                  1.14241700    2.90723800    1.71957200
 C                  3.91406100    2.74423500    1.56247200
 H                  3.63653800    0.63619600    1.32724700
 C                  1.91707700    4.06166200    1.82240900
 H                  0.06447700    3.00820100    1.76669100
 C                  3.30600200    3.98442000    1.74711500
 H                  4.99449600    2.67077900    1.49609800
 H                  1.42948100    5.02121900    1.95915400
 H                  3.90869500    4.88283300    1.82830000
 C                  1.81899900   -1.15150000    2.15199900
 C                  2.29189300   -0.93999100    3.45736800
 C                  2.19075700   -2.32030100    1.48469200
 C                  3.11304800   -1.87852500    4.07481000
 H                  2.03250900   -0.03434500    3.99520600
 C                  3.01682100   -3.26109000    2.10257700
 H                  1.80495000   -2.51328200    0.49365500
 C                  3.47901400   -3.04289700    3.39720000
 H                  3.46938600   -1.69952500    5.08386900
 H                  3.29164500   -4.16531200    1.56953000
 H                  4.11955900   -3.77425800    3.87891000
 C                 -3.06401100    1.96541700    0.52097500
 C                 -3.68385900    2.49434500   -0.62208900
 C                 -3.01273300    2.75466400    1.67570000
 C                 -4.22936400    3.77433100   -0.61075800
 H                 -3.75535600    1.90180500   -1.52811600
 C                 -3.55820300    4.03986900    1.68593000
 H                 -2.56761100    2.37986100    2.58842600
 C                 -4.16466200    4.55462500    0.54412600
 H                 -4.70695400    4.16134200   -1.50473700
 H                 -3.51024200    4.63225300    2.59357600
 H                 -4.58928500    5.55277600    0.55338300
 C                 -3.90750500   -0.68060000    0.00433300
 C                 -4.87581300   -0.95707400    0.97795300
 C                 -4.15932400   -1.04100700   -1.32393400
 C                 -6.06542800   -1.59452300    0.62900100
 H                 -4.71494100   -0.68095200    2.01368800
 C                 -5.35597000   -1.66269000   -1.67371000
 H                 -3.41234800   -0.85038800   -2.08549400
 C                 -6.30997400   -1.94587300   -0.69732300
 H                 -6.80170300   -1.81154200    1.39585200
 H                 -5.53656600   -1.93580400   -2.70814300
 H                 -7.23812300   -2.43796300   -0.96841000
 C                 -1.99079500   -0.20511500    2.19961700
 H                 -1.99158400   -1.29578100    2.21755700
 H                 -2.77241800    0.13658000    2.88105200
 I                 -1.00377400   -2.89286600   -0.31545100
 C                  2.26800500    0.43782000   -2.18833800
 N                  1.79523200    1.61126600   -2.44747300
 C                  1.25269200   -0.65318000   -2.28577000
 C                  0.34817100    1.47942400   -2.65138500
 C                 -0.31010100    1.75301900   -1.29098300
 H                 -1.29370000    2.19864900   -1.41689800
 H                  0.30389900    2.37716100   -0.64447300
 C                  1.61446500   -2.08513600   -2.58511300
 H                  0.76286300   -2.61351000   -3.01158100
 H                  1.93600800   -2.65857000   -1.71655700
 H                  2.43425900   -2.11141600   -3.31207900
 C                  3.72109100    0.25633200   -1.94388000
 C                  4.24068700   -0.81215300   -1.20237300
 C                  4.61902600    1.19712600   -2.47512200
 C                  5.61323300   -0.93377100   -0.98943000
 H                  3.57706600   -1.54506500   -0.76577900
 C                  5.98805000    1.07406400   -2.26777500
 H                  4.22477200    2.02413700   -3.05323200
 C                  6.49236300    0.00604100   -1.52261500
 H                  5.99258800   -1.76468200   -0.40370400
 H                  6.66483700    1.80910100   -2.69131700
 H                  7.56104500   -0.09239100   -1.36253300
 C                 -0.13702400    2.34116000   -3.80990200
 H                 -1.21682800    2.23550200   -3.94531400
 H                  0.35500900    2.05426800   -4.74452500
 H                  0.08337700    3.39393500   -3.61627900
 C                  0.09763100   -0.03103000   -2.78846000
 H                 -0.51165000   -0.47056000   -3.57179800
 H                 -1.29707200   -0.26984000   -1.90772300

83   
TS7-Co-2-t  SCF Done:  E(UM06) =  -3926.78534696
 Co                -0.04167300    0.08037600    0.18556100
 P                  1.82540000    1.77936500    0.49906600
 P                  1.88850500   -1.61947700    0.21364600
 C                  3.12490000    0.72351900    1.31004900
 H                  2.73687500    0.49979700    2.30700900
 H                  4.05824100    1.26969600    1.46180500
 C                  1.54846900    3.16902100    1.67714500
 C                  0.26589300    3.72889400    1.74632900
 C                  2.56772100    3.70286800    2.47784200
 C                  0.00773700    4.80452100    2.59501400
 H                 -0.53527900    3.32202300    1.13867900
 C                  2.30435300    4.77041900    3.33331300
 H                  3.57157600    3.29498700    2.44149700
 C                  1.02556600    5.32455400    3.39197100
 H                 -0.98977500    5.22888600    2.63713500
 H                  3.10050300    5.17170700    3.95161900
 H                  0.82435800    6.15758200    4.05723500
 C                  2.66755400    2.58411800   -0.93325200
 C                  1.85927700    3.22073000   -1.88634400
 C                  4.05821700    2.60929600   -1.09991200
 C                  2.43044400    3.88032000   -2.97191300
 H                  0.77979100    3.19097400   -1.78818800
 C                  4.62657000    3.25995300   -2.19460000
 H                  4.71426000    2.12940400   -0.38325600
 C                  3.81573300    3.89939200   -3.13020400
 H                  1.79152600    4.37073000   -3.69884500
 H                  5.70519400    3.26782200   -2.31163600
 H                  4.26043100    4.40678800   -3.97978800
 C                  1.81622300   -2.78242400    1.64121100
 C                  0.99010500   -3.91239200    1.53427800
 C                  2.48960300   -2.55441800    2.84716600
 C                  0.85320900   -4.79587500    2.60088800
 H                  0.46132300   -4.11308200    0.60793400
 C                  2.34559500   -3.43792700    3.91803900
 H                  3.13803500   -1.69484600    2.96827200
 C                  1.52927400   -4.55952800    3.79880000
 H                  0.21823000   -5.66936000    2.49621400
 H                  2.87832400   -3.24667200    4.84365300
 H                  1.42081600   -5.24680000    4.63103900
 C                  2.43451400   -2.68967800   -1.18285100
 C                  3.41409400   -3.67949800   -1.01438300
 C                  1.88916200   -2.47549400   -2.45411500
 C                  3.84061600   -4.43690300   -2.10189600
 H                  3.84071200   -3.86589500   -0.03468200
 C                  2.31999500   -3.23650700   -3.54148800
 H                  1.12618000   -1.71692300   -2.59318100
 C                  3.29452900   -4.21642800   -3.36750900
 H                  4.59891900   -5.20022500   -1.96163800
 H                  1.88874400   -3.06410300   -4.52211800
 H                  3.62712800   -4.80971200   -4.21289600
 C                  3.40511200   -0.56486400    0.51615500
 H                  3.78226000   -0.31800800   -0.47936300
 H                  4.18802700   -1.15133300    1.00348500
 I                 -1.07276000    0.39423700   -2.34904000
 C                 -3.96734500   -0.49971300    0.62990500
 N                 -3.36438500    0.19893100    1.54642600
 C                 -3.34729500   -1.81035600    0.39401100
 C                 -2.27781600   -0.62627500    2.12360900
 C                 -0.94904000    0.11939400    2.01865900
 H                 -0.17994700   -0.40200600    2.60213000
 H                 -1.02983000    1.14999200    2.37562400
 C                 -3.76511900   -2.86879500   -0.57400600
 H                 -3.34661100   -3.83716900   -0.29240700
 H                 -3.41904400   -2.65005400   -1.59100500
 H                 -4.85257300   -2.96698300   -0.62251600
 C                 -5.18051400    0.02768700   -0.04376100
 C                 -5.43462300   -0.19506200   -1.40400300
 C                 -6.09714500    0.79098700    0.69512000
 C                 -6.57458100    0.33256300   -2.00825100
 H                 -4.72779800   -0.75494000   -2.00374800
 C                 -7.23924100    1.31005500    0.09364400
 H                 -5.90338100    0.96765800    1.74681100
 C                 -7.48234000    1.08160600   -1.26155800
 H                 -6.75068800    0.15970300   -3.06489400
 H                 -7.94150800    1.89170800    0.68198800
 H                 -8.37278900    1.48590000   -1.73176000
 C                 -2.67099200   -0.99130200    3.56744000
 H                 -1.91453400   -1.64158300    4.01491500
 H                 -3.63639500   -1.50371400    3.60807600
 H                 -2.74129500   -0.08354800    4.17157700
 C                 -2.22695200   -1.83404200    1.20556100
 H                 -1.68020600   -2.73620200    1.45973400
 H                 -1.13499000   -1.18228900    0.36214800

83   
TS8-Co-1-s  SCF Done:  E(RM06) =  -3926.79646329
 Co                 0.41914200   -0.01090400    0.06619300
 P                  2.59765000   -0.83173600    0.16381000
 P                  1.31280500    1.97262800   -0.32198800
 C                  3.61982000    0.42850300   -0.74596800
 H                  3.43731100    0.29702600   -1.81451200
 H                  4.68875500    0.28974200   -0.57124300
 C                  3.07678200   -2.47005400   -0.52727400
 C                  3.85980500   -2.61938900   -1.67726900
 C                  2.59446800   -3.61912100    0.11748600
 C                  4.15670200   -3.89120400   -2.16933000
 H                  4.25137600   -1.75411900   -2.19867500
 C                  2.89158100   -4.88596200   -0.37509500
 H                  1.98541600   -3.52770400    1.01180200
 C                  3.67353400   -5.02570100   -1.52254200
 H                  4.76834700   -3.99032600   -3.06007900
 H                  2.51119800   -5.76428800    0.13590400
 H                  3.90450800   -6.01320300   -1.90788900
 C                  3.39264500   -0.88478700    1.83532000
 C                  4.75432800   -1.18904400    1.98330400
 C                  2.62763700   -0.63548900    2.97875800
 C                  5.33539600   -1.22714100    3.24748500
 H                  5.36491900   -1.40751100    1.11315300
 C                  3.20839000   -0.68049400    4.24710400
 H                  1.57313700   -0.40771500    2.87083400
 C                  4.56303300   -0.97264600    4.38258800
 H                  6.39027900   -1.46038000    3.34821900
 H                  2.60070300   -0.48718400    5.12490000
 H                  5.01732700   -1.00674800    5.36727100
 C                  0.84799500    2.60286600   -1.98328300
 C                 -0.49528400    2.93083600   -2.22233100
 C                  1.77175500    2.72427900   -3.02722700
 C                 -0.89922900    3.38251300   -3.47425100
 H                 -1.23030700    2.83685900   -1.43061000
 C                  1.36204700    3.16950300   -4.28402600
 H                  2.81576100    2.47667100   -2.87888200
 C                  0.02856100    3.50032700   -4.51001000
 H                 -1.93994900    3.63786800   -3.64270700
 H                  2.08983700    3.25789800   -5.08354600
 H                 -0.28826200    3.84772500   -5.48760000
 C                  0.99438000    3.37593100    0.82800100
 C                  0.85933200    4.69270400    0.36964300
 C                  0.96329100    3.12936600    2.20751000
 C                  0.69023200    5.73938700    1.27522300
 H                  0.88387400    4.90771800   -0.69175900
 C                  0.79850200    4.17748000    3.10914500
 H                  1.06657400    2.11718900    2.58072100
 C                  0.65844500    5.48492900    2.64464800
 H                  0.58412200    6.75409800    0.90645800
 H                  0.77479600    3.97091600    4.17384200
 H                  0.52484000    6.30066000    3.34722700
 C                  3.17034700    1.82021700   -0.28710300
 H                  3.45476400    1.98525000    0.75500500
 H                  3.63942800    2.61834400   -0.86593100
 I                 -0.33222100   -1.30966900   -2.25108500
 C                 -4.34877500   -0.85600600    1.11732900
 N                 -3.70975800    0.21652800    1.45518700
 C                 -3.47229200   -2.06464000    1.06492700
 C                 -2.29563900   -0.14766400    1.67624400
 C                 -1.43733400    0.68722000    0.69367500
 H                 -1.50630600    1.73781100    0.97964100
 H                 -1.84315000    0.58360300   -0.31413100
 C                 -3.85767100   -3.45963700    0.67034400
 H                 -2.96731000   -4.06387700    0.48608800
 H                 -4.46518500   -3.46918000   -0.23889800
 H                 -4.43927400   -3.96512800    1.44752000
 C                 -5.79531100   -0.80225100    0.79216200
 C                 -6.66597600   -1.86315900    1.07842600
 C                 -6.32452700    0.35872500    0.20587300
 C                 -8.02585200   -1.76546500    0.78739100
 H                 -6.29319900   -2.76211000    1.55308400
 C                 -7.67953600    0.45215200   -0.09255600
 H                 -5.65662200    1.18318300   -0.01393400
 C                 -8.53642000   -0.61133400    0.19686600
 H                 -8.68585400   -2.59350600    1.02439200
 H                 -8.06872300    1.35401200   -0.55396100
 H                 -9.59364200   -0.53970500   -0.03667500
 C                 -1.94875500    0.16272400    3.14599400
 H                 -0.92700800   -0.14351500    3.37994900
 H                 -2.62511600   -0.36776600    3.82019500
 H                 -2.04169700    1.23434400    3.33695900
 C                 -2.24773600   -1.62428500    1.39490000
 H                 -1.34408400   -2.22022100    1.44890100
 H                 -0.02126000    0.48594800    1.37315100

83   
TS8-Co-s  SCF Done:  E(RM06) =  -3926.79831908
 Co                 0.68741700    0.15047400    0.57285600
 P                  1.60426700   -1.21492200   -1.10369200
 P                  1.38220400    1.87406100   -0.69114900
 C                  1.57867300   -0.14646600   -2.63447300
 H                  0.54173700   -0.05012400   -2.96235000
 H                  2.13942500   -0.60772200   -3.45032600
 C                  0.66606300   -2.73569200   -1.54329400
 C                  1.03878900   -3.97183700   -0.99527300
 C                 -0.48809700   -2.67066200   -2.33706700
 C                  0.28633500   -5.11580400   -1.25050700
 H                  1.92265700   -4.04602500   -0.37230400
 C                 -1.23657800   -3.81835400   -2.59349500
 H                 -0.81581100   -1.73067900   -2.76580700
 C                 -0.85201200   -5.04378700   -2.05245400
 H                  0.59266000   -6.06466800   -0.82263900
 H                 -2.12080300   -3.75126000   -3.21860400
 H                 -1.43558500   -5.93596200   -2.25327700
 C                  3.36469800   -1.75694700   -1.04047600
 C                  3.93505000   -2.51697200   -2.07301100
 C                  4.16857400   -1.35337300    0.03124700
 C                  5.28230000   -2.86355000   -2.03064800
 H                  3.32768500   -2.84702700   -2.90935700
 C                  5.51981100   -1.69990800    0.07076000
 H                  3.73298700   -0.78023900    0.84122200
 C                  6.07748800   -2.45419800   -0.95842700
 H                  5.71232300   -3.45291200   -2.83373200
 H                  6.13233000   -1.38199400    0.90794400
 H                  7.12747500   -2.72582200   -0.92705300
 C                  0.21110900    3.18740100   -1.23146100
 C                 -0.04629400    4.28150600   -0.39413400
 C                 -0.49993000    3.07072800   -2.43269600
 C                 -0.98355000    5.24510100   -0.75963000
 H                  0.48973400    4.38895500    0.54258600
 C                 -1.43590100    4.03728400   -2.79652400
 H                 -0.33240100    2.22998000   -3.09669000
 C                 -1.67940500    5.12666400   -1.96214200
 H                 -1.16717600    6.09015100   -0.10449100
 H                 -1.97356500    3.93657300   -3.73337600
 H                 -2.40772000    5.87859600   -2.24657500
 C                  2.74079200    2.80269400    0.13110300
 C                  3.47132700    3.78338100   -0.55566800
 C                  3.06529800    2.51254200    1.46094400
 C                  4.51016900    4.45731600    0.08021600
 H                  3.22991300    4.02819800   -1.58484600
 C                  4.10564000    3.19133900    2.09616300
 H                  2.50062400    1.75662400    1.99706000
 C                  4.82854800    4.16240900    1.40714600
 H                  5.07007500    5.21437700   -0.45868000
 H                  4.34838100    2.95941800    3.12778000
 H                  5.63757400    4.69049400    1.90081300
 C                  2.15865500    1.22624800   -2.27080300
 H                  3.23035000    1.14332900   -2.07635100
 H                  2.03647800    1.94097600   -3.08642800
 I                  1.08201000   -1.53588200    2.60367900
 C                 -4.40042700   -0.17104500    0.71633500
 N                 -3.61562500    0.83660900    0.91768500
 C                 -3.80225800   -1.46760100    1.14915800
 C                 -2.35844900    0.32726400    1.51406200
 C                 -1.24264200    0.73121200    0.52165500
 H                 -1.38788800    1.78246100    0.28454400
 H                 -1.36498100    0.16046700   -0.40935200
 C                 -4.43873300   -2.82608600    1.11722500
 H                 -3.87160300   -3.52613000    1.73375500
 H                 -4.47651600   -3.24158300    0.10537300
 H                 -5.46629200   -2.80237100    1.49058700
 C                 -5.75705400    0.03145300    0.15020100
 C                 -6.36610600   -0.91587000   -0.68466100
 C                 -6.44725600    1.22240300    0.42714900
 C                 -7.62776700   -0.67809200   -1.22814900
 H                 -5.84938600   -1.83356200   -0.93618500
 C                 -7.70974800    1.45493300   -0.10746600
 H                 -5.97899900    1.95950500    1.06877100
 C                 -8.30571900    0.50409900   -0.93804900
 H                 -8.07910000   -1.41874900   -1.88016400
 H                 -8.23151800    2.37779400    0.12440100
 H                 -9.29086700    0.68465600   -1.35549800
 C                 -2.18393400    0.98689200    2.89472300
 H                 -1.29677200    0.59486100    3.39390900
 H                 -3.05457700    0.79221800    3.52577400
 H                 -2.07502700    2.06874100    2.78242700
 C                 -2.58493300   -1.15562100    1.62362400
 H                 -1.86485900   -1.83959900    2.05125800
 H                 -0.00060200    1.06763800    1.51539200
 
83   
TS8-Co-t  SCF Done:  E(UM06) =  -3926.80589818
 Co                -0.47816600   -0.17706500    0.41237900
 P                 -0.97245800    1.79069000   -1.02634100
 P                 -2.42589200   -1.20849300   -0.71086900
 C                 -1.87958100    0.97830000   -2.43920000
 H                 -1.15692200    0.37422400   -2.99288800
 H                 -2.27203800    1.73293400   -3.12502200
 C                  0.44865100    2.67886700   -1.77507000
 C                  1.23751800    3.47270500   -0.92743700
 C                  0.81115100    2.55614200   -3.12156200
 C                  2.35443200    4.13921000   -1.42136700
 H                  0.97799000    3.57466000    0.12174900
 C                  1.93512100    3.22232000   -3.61187100
 H                  0.22303800    1.95251500   -3.80210900
 C                  2.70690500    4.01452400   -2.76598900
 H                  2.95207200    4.75249900   -0.75541300
 H                  2.20214900    3.12105400   -4.65846800
 H                  3.57975500    4.53166300   -3.14997000
 C                 -2.13009900    3.12589800   -0.51082400
 C                 -2.28687200    4.28916300   -1.27907800
 C                 -2.90888100    2.95529200    0.63985700
 C                 -3.21045200    5.25969800   -0.90175000
 H                 -1.68396200    4.44323100   -2.16754700
 C                 -3.83660100    3.92882400    1.01187600
 H                 -2.77627600    2.07351100    1.25583100
 C                 -3.98877300    5.08000700    0.24312000
 H                 -3.32248600    6.15715200   -1.50106700
 H                 -4.43362800    3.78716600    1.90664700
 H                 -4.70720100    5.83871200    0.53532100
 C                 -1.97423300   -2.66437800   -1.74267700
 C                 -1.66702400   -3.86323700   -1.08117800
 C                 -1.88695400   -2.62220100   -3.13886300
 C                 -1.30045800   -4.99561900   -1.80121200
 H                 -1.72141100   -3.91618400    0.00145500
 C                 -1.50712300   -3.75640100   -3.85835200
 H                 -2.11688400   -1.71507700   -3.68465000
 C                 -1.21647200   -4.94454300   -3.19352900
 H                 -1.07533600   -5.91710700   -1.27480300
 H                 -1.44477200   -3.70673900   -4.94028500
 H                 -0.92537700   -5.82617600   -3.75455300
 C                 -3.95812500   -1.73193600    0.15828700
 C                 -4.93789800   -2.50831800   -0.47693200
 C                 -4.16344100   -1.30943700    1.47705900
 C                 -6.10693200   -2.84881500    0.19836900
 H                 -4.78865200   -2.85366200   -1.49423100
 C                 -5.33684400   -1.65228100    2.14881400
 H                 -3.40163800   -0.72358300    1.98041600
 C                 -6.30873000   -2.42045400    1.51133900
 H                 -6.85994300   -3.45050600   -0.29974600
 H                 -5.48578500   -1.32347100    3.17197100
 H                 -7.21950500   -2.69000100    2.03575100
 C                 -3.02256800    0.09756300   -1.90722400
 H                 -3.74007500    0.70307100   -1.34733500
 H                 -3.57962600   -0.35423100   -2.73127100
 I                 -0.77617200    0.55752300    3.07048200
 C                  4.55584500   -1.10125300    0.62852200
 N                  3.68694300   -1.35750400   -0.29397200
 C                  3.98765600   -1.19283000    2.00675700
 C                  2.39217800   -1.64362200    0.36754200
 C                  1.39204400   -0.58261100   -0.11500200
 H                  1.25153300   -0.67539200   -1.19946600
 H                  1.79002900    0.41622800    0.10404100
 C                  4.71250200   -1.01098400    3.30785300
 H                  4.11518400   -1.40005300    4.13469900
 H                  4.91837400    0.04231100    3.52283200
 H                  5.67473400   -1.53045700    3.31222700
 C                  5.96492500   -0.79546100    0.27749600
 C                  6.73461200    0.11671900    1.01279400
 C                  6.54340400   -1.40900800   -0.84477200
 C                  8.04443600    0.40852700    0.63496100
 H                  6.30787400    0.62399100    1.86914300
 C                  7.85337600   -1.12492000   -1.21572300
 H                  5.95086400   -2.11180200   -1.41867000
 C                  8.60981100   -0.21415600   -0.47602300
 H                  8.62165100    1.12510300    1.21008400
 H                  8.28667900   -1.61482400   -2.08171600
 H                  9.63189100    0.00814700   -0.76471000
 C                  1.97551300   -3.07380000   -0.01667900
 H                  1.05028500   -3.35577700    0.48748400
 H                  2.75427800   -3.78771100    0.26247600
 H                  1.81484000   -3.14292300   -1.09502300
 C                  2.69651300   -1.51946300    1.83525500
 H                  1.96185700   -1.67901200    2.61419200
 H                 -0.11049500   -1.51004000    0.93330300

83   
TS9-Co-1-t  SCF Done:  E(UM06) =  -3926.81986035
 Co                -0.04836600   -0.41388500   -0.40944300
 P                 -0.51162100    1.23999300    1.43882600
 P                  2.43991000   -0.02902800    0.45127600
 C                  0.94813500    1.11715200    2.59907400
 H                  0.85998800    0.16076000    3.11892800
 H                  0.89507200    1.89490900    3.36433000
 C                 -1.93094800    1.08355000    2.61099100
 C                 -2.95260900    2.03947900    2.68774000
 C                 -2.03449600   -0.07319300    3.39939300
 C                 -4.03821500    1.85259000    3.54344100
 H                 -2.90537900    2.93677200    2.08233300
 C                 -3.11570400   -0.25418500    4.25854200
 H                 -1.27572000   -0.84537400    3.34251500
 C                 -4.12183800    0.70876900    4.33442100
 H                 -4.81725200    2.60655000    3.59129000
 H                 -3.17316000   -1.15173600    4.86571800
 H                 -4.96514900    0.56592400    5.00185000
 C                 -0.50088900    3.02590800    0.97153600
 C                 -0.33715200    4.05472500    1.91205700
 C                 -0.65168500    3.36350900   -0.37894700
 C                 -0.32223400    5.38687000    1.50802100
 H                 -0.22982300    3.82386900    2.96653000
 C                 -0.64094100    4.69945400   -0.78257300
 H                 -0.76846800    2.57978300   -1.12000600
 C                 -0.47475000    5.71196200    0.15891500
 H                 -0.19335500    6.17186600    2.24596000
 H                 -0.75870900    4.94460500   -1.83296700
 H                 -0.46317800    6.75087200   -0.15392200
 C                  3.27550300   -1.48406800    1.22235900
 C                  3.80595100   -2.46693700    0.37007000
 C                  3.33543700   -1.69640200    2.60527300
 C                  4.39313900   -3.61826400    0.88788300
 H                  3.77860700   -2.32508800   -0.70611800
 C                  3.91953300   -2.85326000    3.12278300
 H                  2.93655700   -0.96322100    3.29634000
 C                  4.45014000   -3.81631400    2.26776800
 H                  4.80609400   -4.36043500    0.21269900
 H                  3.96129200   -2.99619200    4.19757900
 H                  4.90582400   -4.71397300    2.67198100
 C                  3.81939600    0.74108900   -0.51402900
 C                  3.52188600    1.43661300   -1.69192200
 C                  5.14717300    0.70672100   -0.06218400
 C                  4.53100200    2.08710800   -2.40313100
 H                  2.50345300    1.45690800   -2.06332000
 C                  6.15270900    1.35433100   -0.77573400
 H                  5.40102800    0.17016200    0.84535400
 C                  5.84687800    2.04684600   -1.94809200
 H                  4.28616600    2.61855900   -3.31715100
 H                  7.17577700    1.31865900   -0.41543900
 H                  6.63208800    2.54911100   -2.50368600
 C                  2.27394800    1.21561100    1.83649700
 H                  2.35085800    2.19353700    1.35418700
 H                  3.12547200    1.14390100    2.51804000
 I                  0.03027300    0.19843300   -3.16256000
 C                 -2.52079500   -2.27526500   -0.64472100
 N                 -1.44340000   -1.97100900    0.23368500
 C                 -2.74026800   -3.60791500   -0.78627500
 C                 -0.76558100   -3.26616600    0.48259300
 C                  0.19282700   -2.71108500   -0.49976600
 H                 -0.01681600   -2.86313700   -1.55073300
 H                  1.22457600   -2.56204900   -0.20973100
 C                 -3.89123900   -4.31489000   -1.42397800
 H                 -3.57421600   -4.87430900   -2.31270800
 H                 -4.69100600   -3.63792900   -1.72474000
 H                 -4.31095000   -5.05450000   -0.73146700
 C                 -3.36444000   -1.18594300   -1.18677600
 C                 -3.83962900   -1.22154600   -2.50620300
 C                 -3.74175000   -0.10766000   -0.37339500
 C                 -4.67426000   -0.21797500   -2.99306000
 H                 -3.53317700   -2.02714000   -3.16370800
 C                 -4.57347400    0.89798600   -0.86065700
 H                 -3.39049100   -0.06763800    0.64988200
 C                 -5.04566700    0.84631900   -2.17212700
 H                 -5.02606800   -0.26284200   -4.01881200
 H                 -4.85736500    1.72020700   -0.21151300
 H                 -5.69422200    1.62925400   -2.55165900
 C                 -0.24038500   -3.44345900    1.89432400
 H                  0.38221700   -2.60032500    2.19835200
 H                  0.36820300   -4.35045000    1.95679700
 H                 -1.06780800   -3.53894900    2.60208400
 C                 -1.70243500   -4.37891400   -0.00928500
 H                 -2.17227500   -4.91436500    0.82864100
 H                 -1.18142500   -5.13493800   -0.60535700
 
83   
TS9-Co-1-s  SCF Done:  E(RM06) =  -3926.80107373
 Co                -0.08683000    0.05475800    0.70319800
 P                  1.07345600    1.22354500   -0.88198600
 P                 -1.75286900   -0.00971400   -0.91023800
 C                  0.36708700    0.79115700   -2.54948500
 H                  0.68497700   -0.22498200   -2.79311400
 H                  0.75110400    1.45560200   -3.32649300
 C                  2.89966400    1.29332700   -1.19388700
 C                  3.71849100    2.09171500   -0.38006700
 C                  3.49555800    0.57903700   -2.24089400
 C                  5.09188200    2.16161700   -0.59778600
 H                  3.28620500    2.69349500    0.41178500
 C                  4.87010500    0.65831300   -2.46567200
 H                  2.89813600   -0.04250200   -2.89584000
 C                  5.67337900    1.44370200   -1.64272500
 H                  5.70482900    2.78749000    0.04227300
 H                  5.30937700    0.10411700   -3.28862000
 H                  6.74214700    1.50423900   -1.81860300
 C                  0.69684100    3.04060400   -0.77375900
 C                 -0.03417900    3.55662100    0.30093700
 C                  1.13479600    3.92168700   -1.77459700
 C                 -0.32393500    4.91995700    0.37818100
 H                 -0.38375300    2.88915700    1.07925500
 C                  0.83881800    5.27970200   -1.70320900
 H                  1.71850900    3.55328100   -2.61149600
 C                  0.10916500    5.78295200   -0.62458600
 H                 -0.88995600    5.30190300    1.22128700
 H                  1.18166900    5.94667600   -2.48738500
 H                 -0.11737000    6.84248200   -0.56814000
 C                 -2.13579200   -1.72961000   -1.48416700
 C                 -2.76807100   -2.61488700   -0.59738900
 C                 -1.82727200   -2.18227700   -2.77288900
 C                 -3.10005200   -3.90607500   -0.99792200
 H                 -3.00623500   -2.28890500    0.40874500
 C                 -2.15567600   -3.47866500   -3.17069800
 H                 -1.33194400   -1.53657700   -3.48735000
 C                 -2.79718000   -4.34292400   -2.28785400
 H                 -3.59719700   -4.57198800   -0.29988100
 H                 -1.90966900   -3.80736100   -4.17515700
 H                 -3.05723900   -5.34910800   -2.59978600
 C                 -3.43154200    0.75917100   -0.75560100
 C                 -4.54866900    0.25233600   -1.42980500
 C                 -3.56524300    1.94426500   -0.02141000
 C                 -5.77424900    0.91610900   -1.36724400
 H                 -4.47072400   -0.66361400   -2.00382200
 C                 -4.78645500    2.61169600    0.03257600
 H                 -2.71417700    2.34077300    0.51878300
 C                 -5.89606400    2.09701400   -0.63799000
 H                 -6.63224100    0.50819000   -1.89185700
 H                 -4.87329300    3.52848800    0.60669300
 H                 -6.84963300    2.61264700   -0.59012200
 C                 -1.15411600    0.87694400   -2.44192500
 H                 -1.45971800    1.91756000   -2.31118300
 H                 -1.65575500    0.51911100   -3.34262000
 I                 -2.13646300   -0.42745000    2.59505200
 C                  2.43945800   -1.50606200    1.19391800
 N                  1.30346200   -0.94566100    1.87416100
 C                  3.60514700   -1.33128600    1.85723200
 C                  1.84595600   -0.28935900    3.09709500
 C                  1.37095000    0.83445200    2.26835900
 H                  2.12022300    1.38978800    1.72643200
 H                  0.45891400    1.34769400    2.55370300
 C                  4.95583100   -1.91340000    1.58884600
 H                  5.63858100   -1.16430100    1.16971400
 H                  4.92372200   -2.75367100    0.89484600
 H                  5.41137600   -2.25856500    2.52318600
 C                  2.20086800   -2.40011200    0.03960200
 C                  3.12814000   -2.52175100   -1.00672300
 C                  1.06976400   -3.23412100    0.02037600
 C                  2.94103400   -3.45286100   -2.02739700
 H                  3.99156400   -1.87064000   -1.03505900
 C                  0.88629600   -4.16657200   -0.99562700
 H                  0.33896400   -3.15156800    0.81510700
 C                  1.82244700   -4.28362100   -2.02390000
 H                  3.67109300   -3.52398900   -2.82762300
 H                  0.00509100   -4.79846400   -0.98784600
 H                  1.67695700   -5.01027300   -2.81673800
 C                  1.17295900   -0.59321700    4.41983000
 H                  1.59161600    0.05613500    5.19591500
 H                  1.36499100   -1.63040200    4.71157700
 H                  0.09724900   -0.43967700    4.37481900
 C                  3.36594000   -0.52250600    3.10530800
 H                  3.67208900   -1.09275700    3.99131200
 H                  3.94095700    0.41063400    3.13112800
 
83   
TS9-Co-s  SCF Done:  E(RM06) =  -3926.80270676
 Co                -0.03434000   -0.09061700   -0.35851000
 P                  0.73252000    1.92164500    0.33762900
 P                 -2.11186800    0.80701700   -0.00004000
 C                 -0.62495600    3.18372400    0.15609400
 H                 -0.69580300    3.44419200   -0.90241800
 H                 -0.39709900    4.09794400    0.70882000
 C                  2.25822700    2.81818000   -0.19276600
 C                  3.50949000    2.26583100    0.11563700
 C                  2.21387800    4.02091100   -0.90817000
 C                  4.68430900    2.89815300   -0.28014400
 H                  3.57274300    1.34035900    0.67648300
 C                  3.39204600    4.65399100   -1.30575200
 H                  1.26630100    4.47932100   -1.16445400
 C                  4.62921800    4.09508500   -0.99520600
 H                  5.64296900    2.45605600   -0.02948400
 H                  3.33794700    5.58741500   -1.85634900
 H                  5.54451600    4.58881700   -1.30418900
 C                  0.96933600    1.88252900    2.17785700
 C                  1.33320800    3.03794500    2.88503500
 C                  0.76412400    0.69321900    2.88446000
 C                  1.47701400    3.00276200    4.26933000
 H                  1.51553400    3.96835300    2.35722800
 C                  0.91299900    0.65685300    4.27179400
 H                  0.49405800   -0.20711500    2.34270900
 C                  1.26626000    1.81135400    4.96606400
 H                  1.75711900    3.90416900    4.80455200
 H                  0.75361000   -0.27435500    4.80525000
 H                  1.38155200    1.78503500    6.04463100
 C                 -2.96724800    0.98973700   -1.63113100
 C                 -3.34476300   -0.17265000   -2.32248400
 C                 -3.20901800    2.23265600   -2.22988400
 C                 -3.95799400   -0.09026200   -3.56943600
 H                 -3.15425400   -1.14527400   -1.88154500
 C                 -3.81443700    2.31265700   -3.48500400
 H                 -2.93607100    3.15390800   -1.73003500
 C                 -4.19280200    1.15342600   -4.15710000
 H                 -4.24954600   -0.99977300   -4.08462300
 H                 -3.99189100    3.28546900   -3.93171100
 H                 -4.66617800    1.21683800   -5.13127600
 C                 -3.44546600    0.19416300    1.12683100
 C                 -3.08082600   -0.32777300    2.37503700
 C                 -4.80469000    0.31240700    0.81449900
 C                 -4.05374900   -0.71512300    3.29305800
 H                 -2.03310300   -0.44161200    2.62777600
 C                 -5.77855000   -0.08565900    1.73096100
 H                 -5.11135900    0.71250900   -0.14489500
 C                 -5.40628100   -0.59829000    2.97173300
 H                 -3.75495600   -1.11743600    4.25558900
 H                 -6.82834600    0.00837400    1.47247800
 H                 -6.16435500   -0.90699800    3.68408000
 C                 -1.92823600    2.55161000    0.64728700
 H                 -1.90607900    2.45166800    1.73529400
 H                 -2.79981600    3.16555100    0.41131900
 I                 -1.13512200   -2.62121800   -0.03505400
 C                  2.31824500   -1.93298700   -1.18234500
 N                  1.67082700   -0.66067000   -1.27706900
 C                  2.88005900   -2.34212100   -2.34455500
 C                  1.73598000   -0.28077000   -2.73308600
 C                  0.31659800   -0.61558700   -2.55947600
 H                  0.00042400   -1.63737600   -2.70913500
 H                 -0.44059900    0.15972300   -2.62621900
 C                  3.78902300   -3.49890100   -2.61067200
 H                  3.29603700   -4.26774600   -3.21842700
 H                  4.14434600   -3.97790800   -1.69815600
 H                  4.66250300   -3.16818500   -3.18522100
 C                  2.51171300   -2.57784800    0.13665700
 C                  2.42602500   -3.97023100    0.28755100
 C                  2.86681900   -1.81548900    1.25799900
 C                  2.69649700   -4.57771000    1.51115900
 H                  2.11457600   -4.57922500   -0.55273800
 C                  3.13372300   -2.41990700    2.48446100
 H                  2.93869200   -0.73975400    1.16387000
 C                  3.05276400   -3.80564600    2.61684200
 H                  2.61629300   -5.65627000    1.60379400
 H                  3.40877400   -1.80600400    3.33619700
 H                  3.26062900   -4.27835600    3.57134400
 C                  2.07263600    1.14844500   -3.10010100
 H                  2.01204300    1.25246300   -4.18814300
 H                  3.08624900    1.40876900   -2.78947200
 H                  1.38160600    1.86413700   -2.65866500
 C                  2.61903300   -1.32687300   -3.42579500
 H                  3.56563900   -0.88602000   -3.76904700
 H                  2.13709800   -1.74658000   -4.31538700

83
TS9-Co-t   SCF Done:  E(UM06) =  -3926.82614493
 Co                 0.21548000   -0.14931000    0.89456000
 P                  0.66649200    1.55690800   -0.87122200
 P                 -1.58380200   -0.89950900   -0.80902600
 C                  0.37343600    0.49112200   -2.37223300
 H                  1.09534000   -0.32828100   -2.31619900
 H                  0.57435400    1.03497300   -3.29857800
 C                  2.37102400    2.23065900   -1.10368500
 C                  2.84593100    3.13754100   -0.14269700
 C                  3.21289800    1.87350000   -2.16353800
 C                  4.12396900    3.67931500   -0.24521800
 H                  2.21055200    3.43236800    0.68699300
 C                  4.49614400    2.41416300   -2.26208700
 H                  2.88175000    1.17426600   -2.92129500
 C                  4.95504800    3.31686400   -1.30612100
 H                  4.47151400    4.38262000    0.50439500
 H                  5.13421700    2.12822300   -3.09197100
 H                  5.95225000    3.73666800   -1.38588900
 C                 -0.36121100    3.06197100   -1.19103400
 C                 -1.17341500    3.56388300   -0.16813900
 C                 -0.31527600    3.73950900   -2.41886100
 C                 -1.92946100    4.72055700   -0.36907700
 H                 -1.22676800    3.04201900    0.78147700
 C                 -1.07607600    4.88760400   -2.61981200
 H                  0.32078200    3.38125700   -3.22163600
 C                 -1.88450000    5.38146100   -1.59374800
 H                 -2.55500900    5.09911100    0.43273200
 H                 -1.03478000    5.40075200   -3.57504400
 H                 -2.47372100    6.27891600   -1.75114800
 C                 -1.70655900   -2.70343900   -1.19031600
 C                 -1.50576900   -3.60137100   -0.13427500
 C                 -2.06057600   -3.21069300   -2.44727100
 C                 -1.64916800   -4.97477000   -0.32870300
 H                 -1.23509300   -3.22494100    0.84707300
 C                 -2.19088400   -4.58355900   -2.64596400
 H                 -2.24945800   -2.54276500   -3.28022400
 C                 -1.98571200   -5.46893600   -1.58749900
 H                 -1.49177200   -5.65560400    0.50123600
 H                 -2.46003600   -4.96111100   -3.62700900
 H                 -2.09149400   -6.53738800   -1.74338800
 C                 -3.37640800   -0.43519400   -0.68489300
 C                 -4.35333600   -1.38609100   -0.36144500
 C                 -3.77245600    0.90174200   -0.83447900
 C                 -5.68883600   -1.01375400   -0.20981400
 H                 -4.08095000   -2.42659500   -0.23183100
 C                 -5.10770900    1.27081300   -0.69185500
 H                 -3.04285100    1.67288900   -1.05252300
 C                 -6.07286800    0.31442900   -0.37912300
 H                 -6.42878700   -1.76853300    0.03650300
 H                 -5.39082000    2.31076000   -0.81880500
 H                 -7.11262200    0.60292500   -0.26541900
 C                 -1.06106000   -0.06232900   -2.41022000
 H                 -1.76705300    0.74686300   -2.60202600
 H                 -1.15611300   -0.75554500   -3.24702600
 I                 -1.89030800    0.85102200    2.78079700
 C                  2.82671700   -1.63072600    1.09392200
 N                  1.63168600   -1.27238700    1.78906400
 C                  3.93453800   -1.58789800    1.87072600
 C                  2.08995300   -0.73329700    3.10314100
 C                  1.80024500    0.56806900    2.44884400
 H                  2.59084600    1.01820000    1.86267700
 H                  1.00327400    1.20253300    2.81607300
 C                  5.31615600   -2.05944600    1.55813000
 H                  6.02914000   -1.22634500    1.56312500
 H                  5.38442900   -2.55343800    0.58879000
 H                  5.66056200   -2.76155800    2.32682000
 C                  2.77149600   -2.10342800   -0.30846200
 C                  3.64438300   -1.58632400   -1.27707100
 C                  1.88195500   -3.11841100   -0.68540400
 C                  3.63076200   -2.07438100   -2.58258800
 H                  4.32651900   -0.78780800   -1.00895600
 C                  1.86701800   -3.60635600   -1.98961600
 H                  1.21029300   -3.53705600    0.05291300
 C                  2.74194500   -3.08633500   -2.94359300
 H                  4.31168800   -1.65906500   -3.31850200
 H                  1.17122800   -4.39389300   -2.25853200
 H                  2.73068000   -3.46627800   -3.95997300
 C                  1.22699300   -1.12877200    4.28533600
 H                  1.55945100   -0.59548400    5.18149900
 H                  1.32012800   -2.20179100    4.47572400
 H                  0.17779300   -0.88955600    4.11399600
 C                  3.57425500   -1.10384600    3.25106200
 H                  3.72150600   -1.90418100    3.98973100
 H                  4.18371800   -0.25824000    3.58522500

83
TS10-Co-s   SCF Done:  E(RM06) =  -3926.79150975
 Co                -0.19703300   -0.28366300    0.08839100
 P                  0.98273300    0.92326200    1.51755000
 P                 -1.91416200    1.09963800    0.54292700
 C                 -0.10962700    2.23433400    2.30270800
 H                  0.06238000    3.14182500    1.71900000
 H                  0.20673400    2.45356700    3.32506600
 C                  2.42643900    1.99907300    1.06851400
 C                  3.30967400    2.49181000    2.04106600
 C                  2.55394400    2.45142700   -0.24867500
 C                  4.29455000    3.41614600    1.70129100
 H                  3.23140100    2.15435200    3.06862000
 C                  3.53529300    3.38403100   -0.58685500
 H                  1.88980800    2.06812000   -1.01486400
 C                  4.40682800    3.86812400    0.38578300
 H                  4.97125500    3.78695900    2.46460900
 H                  3.62262900    3.72097100   -1.61409700
 H                  5.17208000    4.59095600    0.12181100
 C                  1.64775400   -0.05170100    2.94209600
 C                  0.92930600   -0.19672100    4.13614400
 C                  2.85923300   -0.74512900    2.80294100
 C                  1.41122000   -1.00562000    5.16548700
 H                 -0.01306500    0.32008100    4.27939700
 C                  3.34153200   -1.55081300    3.83149700
 H                  3.43136700   -0.65449800    1.88634300
 C                  2.61872300   -1.68516200    5.01712800
 H                  0.84123900   -1.10024500    6.08415800
 H                  4.28414300   -2.07403800    3.70620900
 H                  2.99460900   -2.31284700    5.81835800
 C                 -2.07119500    2.58649300   -0.54716400
 C                 -1.36749700    2.59889200   -1.75734500
 C                 -2.84711800    3.70401900   -0.20591300
 C                 -1.43620400    3.70073300   -2.61043000
 H                 -0.75943700    1.74139600   -2.02519900
 C                 -2.91109500    4.80706600   -1.05386200
 H                 -3.41311300    3.71732000    0.71958200
 C                 -2.20605100    4.80723700   -2.25862800
 H                 -0.88459200    3.69412000   -3.54483500
 H                 -3.51308700    5.66605200   -0.77575400
 H                 -2.25798200    5.66723200   -2.91826200
 C                 -3.65761000    0.50326900    0.71850000
 C                 -3.98584200   -0.34667700    1.78514000
 C                 -4.65112700    0.81676900   -0.21638000
 C                 -5.27692200   -0.84974400    1.92397800
 H                 -3.23222900   -0.63239900    2.51150900
 C                 -5.94287800    0.30730800   -0.08071800
 H                 -4.42335700    1.46312700   -1.05588400
 C                 -6.26146600   -0.52314400    0.99121300
 H                 -5.51231400   -1.50073200    2.75977200
 H                 -6.69946700    0.56339900   -0.81545300
 H                 -7.26704100   -0.91636100    1.09845300
 C                 -1.58523000    1.84155400    2.22511100
 H                 -1.82553600    1.07184700    2.96134000
 H                 -2.23850800    2.69346900    2.42693300
 I                 -1.72481800   -2.07057000   -1.23861000
 C                  1.84009200   -1.88691800   -1.40632000
 N                  1.28118800   -1.58679200   -0.19336000
 C                  1.93239400   -3.16415500   -1.91034900
 C                  0.41148100   -3.82676700   -0.02914600
 C                  1.15640500   -2.76366600    0.68408300
 H                  2.16487700   -3.17063900    0.90551500
 H                  0.69257400   -2.48043400    1.62712700
 C                  2.66283400   -3.56738500   -3.16383200
 H                  3.16190000   -2.72311400   -3.63948700
 H                  1.98423800   -4.00926500   -3.90649000
 H                  3.43221400   -4.32547400   -2.96426400
 C                  2.33208400   -0.73561400   -2.23713700
 C                  1.48661700   -0.09597700   -3.15112200
 C                  3.66950300   -0.33196400   -2.16585000
 C                  1.96710200    0.92320700   -3.97355800
 H                  0.45208500   -0.41300000   -3.22342200
 C                  4.15707800    0.67559900   -2.99831100
 H                  4.33705100   -0.82234100   -1.46405100
 C                  3.30662200    1.30777200   -3.90380800
 H                  1.29836200    1.40709700   -4.67883900
 H                  5.20032600    0.96877600   -2.93602300
 H                  3.68418200    2.09228200   -4.55195500
 C                 -0.57266400   -4.70574600    0.65176400
 H                  0.00120800   -5.40216600    1.28558300
 H                 -1.17312800   -5.29754600   -0.03888500
 H                 -1.22649900   -4.14645600    1.31981000
 C                  1.10280100   -4.23464900   -1.26157700
 H                  0.43840600   -4.73402100   -1.97354900
 H                  1.76076800   -5.04811000   -0.88650600

83
TS10-Co-t   SCF Done:  E(UM06) =  -3926.81948317
 Co                 0.01079600   -0.25136300   -0.18303700
 P                  1.73766100    1.42527700    0.22987300
 P                 -1.38725700    1.12268600    1.14345500
 C                  0.90085000    2.72106300    1.30454200
 H                  0.47007700    3.44995700    0.61336800
 H                  1.63151300    3.25813400    1.91348700
 C                  2.30689500    2.41743200   -1.21978600
 C                  3.06731600    3.58860900   -1.08650600
 C                  1.94360700    1.98467300   -2.50065000
 C                  3.44842800    4.31342000   -2.21242500
 H                  3.36781400    3.93524900   -0.10297800
 C                  2.33063200    2.70976500   -3.62928700
 H                  1.36171900    1.07442800   -2.60896300
 C                  3.08063200    3.87470300   -3.48627400
 H                  4.03465700    5.21948100   -2.09786300
 H                  2.04531800    2.36295000   -4.61720500
 H                  3.38112500    4.43997900   -4.36243400
 C                  3.32131000    1.07318300    1.11786200
 C                  3.40216000    1.10322000    2.51671200
 C                  4.45035000    0.66301400    0.39264200
 C                  4.58147900    0.74729900    3.17070300
 H                  2.54941300    1.40812800    3.11276400
 C                  5.62792700    0.30774800    1.04677100
 H                  4.41929200    0.63486600   -0.69158400
 C                  5.69825600    0.34837400    2.43926300
 H                  4.62428300    0.78424700    4.25445400
 H                  6.49254700    0.00244700    0.46622200
 H                  6.61552300    0.07241500    2.94868400
 C                 -2.35679600    2.45818300    0.30093400
 C                 -2.17048900    2.66527900   -1.07055700
 C                 -3.24521500    3.29129000    0.99628700
 C                 -2.84914300    3.68812700   -1.73441300
 H                 -1.49709900    2.02003200   -1.62443300
 C                 -3.92563100    4.30945000    0.33342200
 H                 -3.41478000    3.14228400    2.05767400
 C                 -3.72723400    4.51142000   -1.03364100
 H                 -2.69345600    3.83581400   -2.79804600
 H                 -4.61207500    4.94529400    0.88317400
 H                 -4.25879800    5.30484900   -1.54871500
 C                 -2.60623600    0.42865300    2.34035500
 C                 -2.58088000    0.68500400    3.71654600
 C                 -3.59370900   -0.42931100    1.83183600
 C                 -3.52487000    0.10127600    4.56331400
 H                 -1.83036200    1.33999600    4.14319100
 C                 -4.54048300   -1.00204300    2.67589900
 H                 -3.62094000   -0.65415900    0.76970000
 C                 -4.50724500   -0.73959600    4.04635500
 H                 -3.49041500    0.30914800    5.62783700
 H                 -5.29938100   -1.66015100    2.26540200
 H                 -5.24111100   -1.19096300    4.70581600
 C                 -0.20854600    2.12646700    2.18699100
 H                  0.21020300    1.45182300    2.93804900
 H                 -0.73315500    2.92639000    2.71610600
 I                  0.62004200   -2.41350100    1.57213800
 C                 -0.42698800   -2.35150400   -2.15959300
 N                  0.52292100   -1.46320600   -1.70778100
 C                 -0.21932000   -3.70709300   -2.23629800
 C                  1.96330100   -3.29317600   -1.03651700
 C                  1.88349800   -2.00297400   -1.76262400
 H                  2.15584500   -2.23095300   -2.81742200
 H                  2.59702600   -1.26894200   -1.38934200
 C                 -1.14252500   -4.71329800   -2.87186200
 H                 -1.95753700   -4.24156100   -3.42105700
 H                 -1.59467800   -5.39218200   -2.13492400
 H                 -0.60160400   -5.35363200   -3.58153300
 C                 -1.73488400   -1.72678100   -2.53325100
 C                 -2.94672800   -2.17501200   -1.98957700
 C                 -1.76918000   -0.65712700   -3.43950100
 C                 -4.15625200   -1.58074400   -2.34754800
 H                 -2.93637400   -2.98949300   -1.27310800
 C                 -2.97732500   -0.06880000   -3.80863500
 H                 -0.83775100   -0.29756200   -3.86310400
 C                 -4.17622800   -0.52815000   -3.26261800
 H                 -5.08305300   -1.93915900   -1.91060500
 H                 -2.98359600    0.74888000   -4.52260900
 H                 -5.11749100   -0.06795300   -3.54558900
 C                  3.19964700   -3.72945800   -0.33512900
 H                  3.92888600   -4.02631700   -1.10765400
 H                  3.03983900   -4.59036100    0.31458000
 H                  3.65591600   -2.92251300    0.23646000
 C                  0.98951000   -4.28298200   -1.54723900
 H                  0.70735100   -5.00579400   -0.77179600
 H                  1.58575000   -4.88735600   -2.26180200
 
83
TS11-Co-s   SCF Done:  E(RM06) =  -3926.78250483
 Co                 0.01902500   -0.22395600   -0.21211800
 P                  1.66039300   -1.50268000    0.40148200
 P                 -1.36185400   -1.90427900    0.28117000
 C                  0.95156000   -2.99913800    1.27559300
 H                  0.72880900   -2.69489000    2.30149900
 H                  1.68028100   -3.81001300    1.33081400
 C                  2.91173400   -0.90605800    1.62412500
 C                  4.29566300   -1.00697200    1.44666000
 C                  2.42233200   -0.32224500    2.80311000
 C                  5.17038900   -0.55385200    2.43535500
 H                  4.70125400   -1.43452700    0.53794000
 C                  3.29596100    0.12359300    3.79077800
 H                  1.35224300   -0.20928900    2.94867100
 C                  4.67478500    0.00625800    3.61012900
 H                  6.24120300   -0.63967400    2.28231200
 H                  2.90043200    0.56741500    4.69852500
 H                  5.35676300    0.35590000    4.37810700
 C                  2.61346800   -2.25859600   -0.98925800
 C                  3.47495300   -3.35190700   -0.81139000
 C                  2.41908200   -1.75772500   -2.28247900
 C                  4.12965200   -3.92199000   -1.90102600
 H                  3.64452200   -3.76595500    0.17655700
 C                  3.07564500   -2.32772200   -3.37287100
 H                  1.74328300   -0.92233600   -2.42745800
 C                  3.93215300   -3.41040700   -3.18389400
 H                  4.79256300   -4.76711700   -1.74752000
 H                  2.91322100   -1.92798500   -4.36843000
 H                  4.44111000   -3.85748200   -4.03143400
 C                 -2.32143400   -1.77503300    1.85252900
 C                 -2.26092800   -0.58116800    2.58015000
 C                 -3.07536500   -2.84281300    2.36226900
 C                 -2.93751300   -0.45338500    3.79348600
 H                 -1.67720100    0.24726600    2.19304700
 C                 -3.74985900   -2.71558900    3.57363500
 H                 -3.14700400   -3.77592200    1.81297000
 C                 -3.68127300   -1.52037000    4.29181600
 H                 -2.88139400    0.47849300    4.34628200
 H                 -4.32967300   -3.54862200    3.95726200
 H                 -4.20683700   -1.42383500    5.23613000
 C                 -2.59880700   -2.39128500   -0.99976900
 C                 -2.13717900   -2.90860100   -2.22033900
 C                 -3.97252300   -2.17362500   -0.83788500
 C                 -3.03080400   -3.22535800   -3.24010700
 H                 -1.07570100   -3.06294700   -2.38484100
 C                 -4.86523900   -2.48488100   -1.86363200
 H                 -4.35347700   -1.76187800    0.08912700
 C                 -4.39880600   -3.01532000   -3.06421500
 H                 -2.65722500   -3.63258500   -4.17389700
 H                 -5.92670400   -2.31145800   -1.72017600
 H                 -5.09452400   -3.25961600   -3.86002500
 C                 -0.32536000   -3.43228300    0.55140700
 H                 -0.08689500   -3.85541400   -0.42701400
 H                 -0.87140700   -4.19244300    1.11334200
 I                 -3.87540400    2.54296700   -0.28049700
 C                  1.37020600    2.54620200   -0.44049000
 N                  0.62573400    1.45353700   -0.79618900
 C                  0.74381800    3.70949900   -0.03048400
 C                 -1.27724000    3.08341200   -0.91884500
 C                 -0.69377600    1.74913200   -1.35790200
 H                 -0.64688600    1.72054000   -2.45263800
 H                 -1.40441400    0.93460600   -1.08264800
 C                  2.84961100    2.42952200   -0.54638500
 C                  3.70126100    2.98935100    0.41822000
 C                  3.42744800    1.77947900   -1.64653500
 C                  5.08502600    2.91887400    0.27724200
 H                  3.27350600    3.47234700    1.28992700
 C                  4.81116100    1.70876600   -1.79018700
 H                  2.77870700    1.34456400   -2.39708800
 C                  5.64546000    2.28162600   -0.83019800
 H                  5.72669200    3.35544400    1.03582700
 H                  5.23859600    1.21069000   -2.65463800
 H                  6.72362600    2.22877100   -0.94183600
 C                 -0.70737000    3.54719000    0.37572000
 H                 -0.82719000    2.78466100    1.15358600
 H                 -1.14968900    4.48407500    0.71366900
 C                 -1.53687100    4.09643900   -2.00753300
 H                 -2.11441300    3.65489300   -2.82043400
 H                 -2.07530900    4.96389500   -1.62586300
 H                 -0.58931700    4.44200400   -2.43728100
 C                  1.32171800    5.09623800   -0.05018800
 H                  1.35379600    5.54408700    0.95103100
 H                  2.33031400    5.12316400   -0.46308500
 H                  0.70244000    5.76480700   -0.66295500

83
TS11-Co-t   SCF Done:  E(UM06) =  -3926.81143558 
 Co                -0.36957800    0.01525500   -0.17417100
 P                 -1.11766100   -1.11324900    1.74843800
 P                 -1.88431300    1.73320700    0.45113000
 C                 -2.01325500    0.15901200    2.78912200
 H                 -1.25142900    0.75194700    3.30275300
 H                 -2.63345300   -0.31597000    3.55318100
 C                  0.07292900   -1.90640000    2.91262800
 C                  0.04426000   -1.73006700    4.30224500
 C                  1.07472500   -2.71575300    2.35599100
 C                  0.99220600   -2.35348500    5.11458100
 H                 -0.71295500   -1.10766300    4.76480500
 C                  2.01244100   -3.34718200    3.16876400
 H                  1.12411000   -2.84809600    1.27944200
 C                  1.97477900   -3.16500000    4.55147700
 H                  0.95878700   -2.20421900    6.18886400
 H                  2.77895700   -3.97164300    2.72178600
 H                  2.71049300   -3.64918100    5.18504200
 C                 -2.41937100   -2.40783500    1.50975400
 C                 -2.87134300   -3.21745400    2.56151400
 C                 -2.98872800   -2.56930200    0.24037600
 C                 -3.87335200   -4.16075100    2.34832000
 H                 -2.43555900   -3.12057300    3.55045600
 C                 -3.99537100   -3.51200100    0.02793200
 H                 -2.64530300   -1.96030700   -0.58960300
 C                 -4.43894100   -4.30873700    1.08098500
 H                 -4.21131400   -4.78241400    3.17107200
 H                 -4.42655400   -3.62479100   -0.96126400
 H                 -5.21845700   -5.04522800    0.91605100
 C                 -1.01518800    3.22079100    1.11697600
 C                 -0.09142300    3.85359300    0.26983700
 C                 -1.19231400    3.72555100    2.41095000
 C                  0.61883200    4.97147900    0.69764700
 H                  0.07267700    3.46920300   -0.73218100
 C                 -0.46955700    4.83843700    2.84415400
 H                 -1.89324000    3.26250700    3.09537600
 C                  0.43362200    5.46568000    1.98952100
 H                  1.32344800    5.45099800    0.02617500
 H                 -0.61755000    5.21400000    3.85136000
 H                  0.99333500    6.33141100    2.32750100
 C                 -3.20925800    2.44207100   -0.62211400
 C                 -3.81825400    3.67794800   -0.36660100
 C                 -3.63871600    1.68777900   -1.72171500
 C                 -4.83994600    4.14411600   -1.19165200
 H                 -3.49282700    4.28252800    0.47321700
 C                 -4.66631000    2.15180500   -2.54201600
 H                 -3.16456300    0.73618300   -1.94034700
 C                 -5.26751400    3.38156300   -2.27894800
 H                 -5.30253300    5.10382200   -0.98513000
 H                 -4.98982200    1.55627400   -3.38948700
 H                 -6.06261600    3.74716300   -2.92036500
 C                 -2.87412700    1.05373200    1.88478000
 H                 -3.67217000    0.46381600    1.42403800
 H                 -3.36761000    1.84192400    2.45853600
 I                  5.06473300    0.80954700    0.30135600
 C                  1.22078800   -1.10047000   -2.45825000
 N                  1.06828200   -0.10205300   -1.52819400
 C                  2.46423100   -1.62352000   -2.73486800
 C                  3.56698500    0.21206700   -1.74617400
 C                  2.19435500    0.82463200   -1.45639700
 H                  2.04178400    1.61750800   -2.20491200
 H                  2.18939600    1.32283800   -0.48894800
 C                 -0.02528100   -1.59836000   -3.11309800
 C                 -0.28598300   -2.97054800   -3.24206400
 C                 -0.97718200   -0.69284600   -3.60575900
 C                 -1.45482900   -3.42444400   -3.85076800
 H                  0.42910800   -3.68497700   -2.84800600
 C                 -2.14153300   -1.14362500   -4.22489900
 H                 -0.78879100    0.37041400   -3.50926200
 C                 -2.38551300   -2.51213400   -4.34819000
 H                 -1.64129300   -4.49059600   -3.93247400
 H                 -2.85729100   -0.42690600   -4.61526100
 H                 -3.29383800   -2.86416600   -4.82650400
 C                  3.52881800   -1.28622500   -1.71201700
 H                  3.23022700   -1.63084500   -0.71421900
 H                  4.49682600   -1.72359900   -1.96139100
 C                  4.36709900    0.85684200   -2.85706400
 H                  4.41345100    1.94014400   -2.73577100
 H                  5.38339400    0.46440800   -2.90246600
 H                  3.88004200    0.65870700   -3.81900500
 C                  2.85707300   -2.43536400   -3.93678900
 H                  3.21918100   -3.43533600   -3.66294300
 H                  2.03399300   -2.56131400   -4.64155600
 H                  3.68024800   -1.95444300   -4.48296000
 
83
TS12-Co-1-t   SCF Done:  E(UM06) =  -3926.81196092
 Co                 0.08965400   -0.18989100    0.51453600
 P                 -0.46106100    1.95991800   -0.59691900
 P                 -2.03250300   -0.94511500   -0.54226500
 C                 -1.27654400    1.33374700   -2.14836200
 H                 -0.46320700    0.84801400   -2.69008500
 H                 -1.64033500    2.14737400   -2.78087800
 C                  0.90421600    3.03050700   -1.22582900
 C                  2.21006800    2.75923300   -0.80108800
 C                  0.67431000    4.10805800   -2.09300600
 C                  3.27061300    3.55240300   -1.24168000
 H                  2.38799900    1.92520000   -0.13065000
 C                  1.73564300    4.89426000   -2.53433100
 H                 -0.33270400    4.34421300   -2.42154300
 C                  3.03613100    4.61734700   -2.10881800
 H                  4.27994800    3.33392500   -0.90817300
 H                  1.54815600    5.72481500   -3.20722400
 H                  3.86168200    5.23263000   -2.45179000
 C                 -1.64170200    3.20779400    0.09673500
 C                 -2.77467200    3.67442900   -0.58274100
 C                 -1.37757900    3.71187400    1.37978900
 C                 -3.62012700    4.61637100    0.00574400
 H                 -3.01174400    3.31372400   -1.57668800
 C                 -2.21485800    4.65911700    1.96274400
 H                 -0.50465600    3.36888400    1.92618000
 C                 -3.34285100    5.11167000    1.27763300
 H                 -4.49384600    4.96368600   -0.53586200
 H                 -1.98950500    5.03931900    2.95367800
 H                 -3.99999800    5.84497900    1.73296700
 C                 -2.18530100   -2.58850100   -1.36788000
 C                 -1.32001800   -3.62024500   -0.98790200
 C                 -3.18745800   -2.85633100   -2.31083500
 C                 -1.45203000   -4.89501000   -1.53885800
 H                 -0.53205200   -3.42183200   -0.27101500
 C                 -3.31131200   -4.12585600   -2.87006100
 H                 -3.88655200   -2.08106600   -2.60578200
 C                 -2.44423200   -5.14845500   -2.48359200
 H                 -0.77359400   -5.68549400   -1.23526900
 H                 -4.08892100   -4.31785500   -3.60212000
 H                 -2.54364300   -6.13813000   -2.91722000
 C                 -3.58648200   -0.91303500    0.47710600
 C                 -4.17701300    0.30385100    0.84820400
 C                 -4.12763400   -2.09898200    0.99458300
 C                 -5.28558300    0.33244800    1.69260500
 H                 -3.77826200    1.24610300    0.48908500
 C                 -5.23362500   -2.06885200    1.84261700
 H                 -3.69280500   -3.05614500    0.73101100
 C                 -5.81937300   -0.85371300    2.19319900
 H                 -5.72932800    1.28622600    1.95904200
 H                 -5.63959000   -2.99990600    2.22490700
 H                 -6.68238800   -0.83108200    2.85026300
 C                 -2.40710100    0.31945400   -1.89135400
 H                 -3.33135800    0.82989900   -1.61943100
 H                 -2.61521700   -0.21953100   -2.81699900
 I                  1.60178700   -1.25593700   -1.77289800
 C                  2.63704200   -0.95605500    1.93045400
 N                  1.80848700    0.19324000    1.72479100
 C                  2.16541700   -1.97575900    2.68904200
 C                  0.19769400   -0.46293500    2.81499300
 C                  1.20999900    0.59025300    3.01230800
 H                  1.87918300    0.47808700    3.87268800
 H                  0.81400200    1.60549200    2.96419900
 C                  2.89997500   -3.20451400    3.14593700
 H                  2.68358300   -3.40930100    4.19955500
 H                  3.98051400   -3.11080200    3.04043800
 H                  2.58864900   -4.09562100    2.58663600
 C                  3.99534200   -0.86681800    1.33668300
 C                  4.64387900   -1.97363500    0.76771900
 C                  4.67511600    0.36176200    1.34933600
 C                  5.93426900   -1.86205100    0.25522100
 H                  4.12348200   -2.92050300    0.69389600
 C                  5.96540200    0.47479800    0.83702700
 H                  4.18510900    1.23136900    1.77244500
 C                  6.60315800   -0.63864900    0.29047300
 H                  6.41279400   -2.73084900   -0.18578200
 H                  6.47368300    1.43350300    0.86607900
 H                  7.60777900   -0.55255200   -0.11082000
 C                 -1.26539300   -0.15724800    2.96402000
 H                 -1.43668200    0.10666300    4.01955700
 H                 -1.90524100   -1.00072400    2.71179000
 H                 -1.59132900    0.71446000    2.38998800
 C                  0.71827500   -1.84159100    3.08844000
 H                  0.10369200   -2.60996700    2.60086900
 H                  0.60741900   -2.02706600    4.16975900
 
83
TS12-Co-s   SCF Done:  E(RM06) =  -3926.79373645 
 Co                 0.06490000   -0.08706700   -0.37061500
 P                  2.07480400    0.38233200    0.65958700
 P                 -0.58914700    2.01176400    0.41433700
 C                  2.04835600    2.18421200    1.16420600
 H                  2.23244600    2.81235300    0.29018100
 H                  2.83273600    2.39638800    1.89327300
 C                  3.66529100    0.19361200   -0.26032200
 C                  4.40928000   -0.99154000   -0.16896900
 C                  4.10917500    1.19651700   -1.13384200
 C                  5.57145300   -1.16129600   -0.91833100
 H                  4.07980000   -1.78662000    0.48836300
 C                  5.27240900    1.02498000   -1.88323200
 H                  3.55561400    2.12197800   -1.24219100
 C                  6.00816100   -0.15353400   -1.77728100
 H                  6.13547300   -2.08418500   -0.82986300
 H                  5.60159600    1.81622300   -2.54884300
 H                  6.91398300   -0.28622100   -2.35959800
 C                  2.40458500   -0.37276300    2.31854600
 C                  3.63533800   -0.21267900    2.97073000
 C                  1.36235000   -1.01917300    2.99299800
 C                  3.82082300   -0.69983000    4.26278100
 H                  4.45738700    0.28833200    2.47087600
 C                  1.54509100   -1.49782400    4.29046000
 H                  0.41085000   -1.15790500    2.49336600
 C                  2.77531100   -1.34292100    4.92603700
 H                  4.78141500   -0.57466700    4.75190600
 H                  0.72697200   -1.99680100    4.79962500
 H                  2.92037200   -1.72073000    5.93286700
 C                 -0.62373200    3.63373200   -0.50166300
 C                  0.08269700    3.78328700   -1.69934300
 C                 -1.25046900    4.76330100    0.04889100
 C                  0.15363200    5.01993700   -2.34251200
 H                  0.59055500    2.93478600   -2.13763100
 C                 -1.18446100    5.99641700   -0.59355000
 H                 -1.79619900    4.68403600    0.98196800
 C                 -0.48416800    6.12832800   -1.79352500
 H                  0.70672700    5.11061900   -3.27139200
 H                 -1.67910600    6.85659700   -0.15445800
 H                 -0.43483600    7.09011800   -2.29300100
 C                 -2.22228600    2.00099400    1.27421000
 C                 -2.34723800    1.54534600    2.59293400
 C                 -3.38293500    2.37736200    0.58272400
 C                 -3.59583800    1.49339400    3.21203000
 H                 -1.47734400    1.22619100    3.15454200
 C                 -4.62898200    2.32581500    1.20227000
 H                 -3.31897300    2.72581800   -0.44198100
 C                 -4.73968100    1.88748400    2.52161800
 H                 -3.66975200    1.14532600    4.23700300
 H                 -5.51366400    2.62978000    0.65241000
 H                 -5.70982900    1.85129400    3.00575600
 C                  0.65529700    2.46420400    1.73368700
 H                  0.48196700    1.85189100    2.62042200
 H                  0.53501700    3.50922000    2.02496200
 I                  0.87662100   -2.70467900   -0.35424000
 C                 -2.17188600   -1.60186600   -1.62623700
 N                 -1.63590200   -0.32918700   -1.31620100
 C                 -1.82196800   -2.20338800   -2.79189000
 C                 -0.29978300   -0.22356000   -2.98675000
 C                 -1.50374700    0.49315200   -2.54580600
 H                 -2.37298300    0.37699700   -3.20864700
 H                 -1.35814200    1.54427400   -2.30958600
 C                 -2.40482800   -3.45196900   -3.39119400
 H                 -3.33782300   -3.74942100   -2.91272800
 H                 -1.71066400   -4.29938800   -3.32062700
 H                 -2.60914900   -3.30883800   -4.45816300
 C                 -3.10261800   -2.17615400   -0.61876200
 C                 -3.06771900   -3.53616700   -0.27199300
 C                 -4.04794000   -1.35708100    0.01781600
 C                 -3.96088000   -4.06222800    0.65943400
 H                 -2.31470900   -4.17707000   -0.71331400
 C                 -4.94350100   -1.88186500    0.94673700
 H                 -4.07403900   -0.30076000   -0.22098700
 C                 -4.90654900   -3.23854800    1.26971900
 H                 -3.91072400   -5.11588000    0.91626700
 H                 -5.66992300   -1.22910200    1.42045900
 H                 -5.60208400   -3.64804800    1.99544200
 C                  1.01152300    0.37095600   -3.38833100
 H                  1.26282700    1.27779800   -2.84532000
 H                  0.95580300    0.63788000   -4.45787500
 H                  1.83537600   -0.33508800   -3.27568200
 C                 -0.64700900   -1.58349800   -3.49670400
 H                  0.20972600   -2.26571300   -3.45644200
 H                 -0.86879600   -1.45068600   -4.57104300
 
83
TS12-Co-t   SCF Done:  E(UM06) =  -3926.81895330 
 Co                -0.32946700   -0.39749800    0.71388300
 P                 -2.32212400    0.61377800   -0.40557500
 P                  0.87745500    0.33783200   -1.47467500
 C                 -1.70907300    1.25804900   -2.04866200
 H                 -1.35495100    2.27280300   -1.84889400
 H                 -2.54057600    1.35909200   -2.75055400
 C                 -3.20870200    2.11148000    0.22810300
 C                 -4.54092200    2.40937500   -0.08828900
 C                 -2.48516600    3.01614400    1.01625900
 C                 -5.13266700    3.58231100    0.37802600
 H                 -5.12209600    1.72685900   -0.69736500
 C                 -3.07470800    4.19248000    1.47597000
 H                 -1.45204800    2.80319400    1.26891100
 C                 -4.40252800    4.47615200    1.16050200
 H                 -6.16591000    3.79824100    0.12624900
 H                 -2.49842300    4.88149200    2.08458800
 H                 -4.86610100    5.38773400    1.52276300
 C                 -3.70341100   -0.53476500   -0.83970300
 C                 -3.89564000   -1.03572200   -2.13286900
 C                 -4.56024300   -0.97638700    0.18068900
 C                 -4.91840700   -1.94688900   -2.39989000
 H                 -3.25567500   -0.72478700   -2.94967200
 C                 -5.58474600   -1.87958700   -0.08726600
 H                 -4.44083500   -0.60484000    1.19241300
 C                 -5.76651300   -2.37069600   -1.38037200
 H                 -5.04954500   -2.32167700   -3.40970700
 H                 -6.24045700   -2.20046000    0.71553900
 H                 -6.56258300   -3.07743800   -1.58948500
 C                  1.58873200    2.03555100   -1.69827300
 C                  1.37854900    2.98219900   -0.68741000
 C                  2.28830700    2.42120200   -2.85099900
 C                  1.84165800    4.29090500   -0.83411800
 H                  0.86944500    2.69296700    0.22541200
 C                  2.75742900    3.72496900   -2.99224500
 H                  2.47604700    1.70155200   -3.64074900
 C                  2.53117800    4.66474800   -1.98531800
 H                  1.66906400    5.01410800   -0.04352500
 H                  3.29977600    4.00770200   -3.88883300
 H                  2.89599500    5.68059600   -2.09718100
 C                  2.07745600   -0.74349600   -2.36752200
 C                  1.95190400   -1.12392000   -3.71022800
 C                  3.17798800   -1.21072500   -1.63656600
 C                  2.91059000   -1.94454400   -4.30599800
 H                  1.10974300   -0.79018500   -4.30484700
 C                  4.14103900   -2.01915800   -2.23440800
 H                  3.27013000   -0.95173700   -0.58771300
 C                  4.00909700   -2.38926300   -3.57298100
 H                  2.79691300   -2.23314000   -5.34597100
 H                  4.98751800   -2.36850600   -1.65191500
 H                  4.75417800   -3.02531000   -4.03953600
 C                 -0.57463900    0.41847800   -2.64735100
 H                 -0.89639000   -0.60977100   -2.83043500
 H                 -0.27369200    0.84720800   -3.60652000
 I                 -0.50866200   -3.09680800    0.06016700
 C                  1.93243300   -0.11565500    2.61454300
 N                  0.83240200    0.69421600    2.18904400
 C                  1.70145000   -1.15043900    3.46351000
 C                 -0.64508900   -0.38289500    3.16068800
 C                 -0.05996000    0.95672800    3.33073100
 H                  0.47194900    1.13712700    4.27319100
 H                 -0.74177900    1.77759900    3.11433400
 C                  2.70944400   -2.01815100    4.16332500
 H                  3.70369600   -1.57258400    4.18654900
 H                  2.79759900   -3.00412200    3.69038600
 H                  2.40078500   -2.19838600    5.19784600
 C                  3.26265900    0.29972100    2.09921700
 C                  4.27373600   -0.62610100    1.79162400
 C                  3.54232100    1.66431300    1.92082900
 C                  5.52439000   -0.20108600    1.34815400
 H                  4.07503500   -1.68764300    1.87463300
 C                  4.79135300    2.08955100    1.47611500
 H                  2.76977400    2.39100200    2.14134500
 C                  5.79043200    1.15874300    1.19155100
 H                  6.28762200   -0.93602400    1.11310800
 H                  4.98496200    3.15018600    1.35139600
 H                  6.76411000    1.48922600    0.84469000
 C                 -2.12217500   -0.62557900    3.06521800
 H                 -2.48812200   -0.79273000    4.09133500
 H                 -2.38003800   -1.51381300    2.48639400
 H                 -2.65724200    0.23911000    2.67512000
 C                  0.24658900   -1.46300100    3.68476800
 H                 -0.00419700   -2.44292400    3.26201600
 H                  0.03935800   -1.54236900    4.76534400 
 
83
TS13-Co-1-t   SCF Done:  E(UM06) =  -3926.80399616 
 Co                 0.37206400   -0.08270300    0.51770600
 P                 -1.57729200   -1.34738400   -0.61827200
 P                 -0.74053100    1.91793500   -0.62954000
 C                 -2.33474700   -0.14576800   -1.84710700
 H                 -3.32649400    0.11371800   -1.48043600
 H                 -2.49368900   -0.67109200   -2.78994600
 C                 -3.03036900   -1.94822700    0.36847500
 C                 -3.01254200   -3.25677400    0.87698300
 C                 -4.10752300   -1.11897400    0.71016400
 C                 -4.04626900   -3.72375800    1.68490500
 H                 -2.19475400   -3.92482700    0.63208400
 C                 -5.14551900   -1.59029100    1.51385600
 H                 -4.15586500   -0.09402700    0.36268900
 C                 -5.12009400   -2.89359700    2.00393800
 H                 -4.01306000   -4.74129900    2.06016800
 H                 -5.97298900   -0.93161500    1.75596600
 H                 -5.92801100   -3.25906800    2.62874800
 C                 -1.17667000   -2.85798200   -1.60081200
 C                 -2.05706600   -3.36388200   -2.56768100
 C                  0.00257500   -3.55800300   -1.32545200
 C                 -1.75331400   -4.53679500   -3.25399500
 H                 -2.99084000   -2.85584700   -2.78390800
 C                  0.30056600   -4.73937500   -2.00484100
 H                  0.69456300   -3.17181700   -0.58751900
 C                 -0.57365500   -5.22739700   -2.97317900
 H                 -2.44103800   -4.91451000   -4.00337800
 H                  1.21900900   -5.27155100   -1.78050300
 H                 -0.33993100   -6.14280300   -3.50665100
 C                 -2.05290000    3.03312500    0.05083400
 C                 -3.40964900    2.89742600   -0.26769300
 C                 -1.67581900    4.04550000    0.94788200
 C                 -4.36384700    3.74212400    0.30132500
 H                 -3.74156700    2.14939500   -0.97625100
 C                 -2.62761300    4.88907900    1.51270700
 H                 -0.63027200    4.19103500    1.19745800
 C                 -3.97781100    4.73692600    1.19548800
 H                 -5.40893700    3.62202400    0.03581200
 H                 -2.31288000    5.66825800    2.19897000
 H                 -4.71999300    5.39393600    1.63611000
 C                  0.44789600    3.16154200   -1.29100200
 C                  1.66234000    3.35315900   -0.62115300
 C                  0.14283300    3.95847100   -2.40223200
 C                  2.55592800    4.33165500   -1.05636200
 H                  1.91251200    2.72780300    0.23068000
 C                  1.04563900    4.92352900   -2.84328900
 H                 -0.79769200    3.83566900   -2.92842000
 C                  2.25214900    5.11389600   -2.16910700
 H                  3.49412800    4.47447000   -0.53011300
 H                  0.80387600    5.52989700   -3.71008000
 H                  2.95175100    5.86960900   -2.51100600
 C                 -1.50816100    1.12504200   -2.12923800
 H                 -0.65821300    0.87725300   -2.76533900
 H                 -2.12524000    1.84299300   -2.67447000
 I                  1.96366400   -0.33599200   -1.80060100
 C                  2.04210500   -0.41289600    2.10961200
 N                  1.78929800    0.91952600    2.14738600
 C                  1.07435300   -1.42259500    2.32453000
 C                 -0.57619700    0.38655600    2.64515800
 C                  0.57468700    1.32350500    2.86240100
 H                  0.78502500    1.36912700    3.94955500
 H                  0.31462600    2.34278400    2.56833700
 C                  1.36007500   -2.89744700    2.45414300
 H                  1.24805700   -3.20062900    3.50594800
 H                  2.35559700   -3.19457300    2.13584500
 H                  0.63611600   -3.49633000    1.89086000
 C                  3.48332100   -0.74405700    1.83540200
 C                  3.93018100   -1.73666800    0.95342200
 C                  4.44687200   -0.02255000    2.55658500
 C                  5.29004000   -2.00611000    0.80788400
 H                  3.21899600   -2.27856900    0.34605500
 C                  5.80602600   -0.29535200    2.41934700
 H                  4.11507900    0.75911400    3.22954400
 C                  6.23455300   -1.29150400    1.54313200
 H                  5.61107400   -2.77207700    0.10887600
 H                  6.52958300    0.27239500    2.99601500
 H                  7.29270000   -1.50477200    1.42965300
 C                 -1.96221900    0.86259500    2.92420700
 H                 -2.09803200    0.91352700    4.01724500
 H                 -2.72143800    0.17433200    2.55011600
 H                 -2.15797400    1.85996500    2.53114900
 C                 -0.24154800   -1.03545000    2.98616000
 H                 -1.04461600   -1.70866500    2.66910100
 H                 -0.17847300   -1.15968100    4.08788700
 
83
TS13-Co-s   SCF Done:  E(RM06) =  -3926.81855010
 Co                -0.09132900    0.18147700   -0.48289300
 P                 -1.26821600   -1.52173000    0.48410800
 P                  1.96460400   -0.78236400    0.47799300
 C                  0.00009400   -2.54336800    1.40413800
 H                  0.31486400   -3.33543000    0.72781200
 H                 -0.48115700   -3.03171200    2.25229100
 C                 -2.18048700   -2.77733400   -0.53716600
 C                 -3.50538000   -2.49388200   -0.90481400
 C                 -1.61983000   -3.98888700   -0.96196300
 C                 -4.24158900   -3.38635200   -1.67810900
 H                 -3.98033200   -1.58012900   -0.56751300
 C                 -2.36180400   -4.88782600   -1.72849800
 H                 -0.60368800   -4.25978900   -0.70542000
 C                 -3.67136700   -4.58896500   -2.09374500
 H                 -5.26393500   -3.14376600   -1.94769100
 H                 -1.90817400   -5.82327200   -2.03794000
 H                 -4.24527500   -5.28892400   -2.69147000
 C                 -2.58430700   -1.19611300    1.75056000
 C                 -3.06020000   -2.26873200    2.52138100
 C                 -3.18179900    0.05676900    1.89969900
 C                 -4.09168100   -2.08136400    3.43620400
 H                 -2.64636200   -3.26381400    2.40072300
 C                 -4.22444800    0.24126800    2.80897300
 H                 -2.82195500    0.89335300    1.32117800
 C                 -4.67786000   -0.82345600    3.58234600
 H                 -4.44193700   -2.92028800    4.02824000
 H                 -4.67649100    1.22218000    2.91192100
 H                 -5.48549000   -0.67864300    4.29219300
 C                  3.05260700   -2.00501000   -0.40476300
 C                  3.04204500   -3.38027400   -0.13961800
 C                  3.92873100   -1.52701100   -1.39241700
 C                  3.87028300   -4.25111300   -0.84905000
 H                  2.40260400   -3.79691700    0.62832700
 C                  4.75634800   -2.39508300   -2.09834700
 H                  3.98384800   -0.46603800   -1.60856500
 C                  4.72625600   -3.76413200   -1.83300800
 H                  3.84573000   -5.31213400   -0.62335700
 H                  5.42696000   -1.99990900   -2.85424200
 H                  5.36981200   -4.44228200   -2.38322300
 C                  3.26730100    0.28618400    1.23232600
 C                  3.51831900    1.54756000    0.68102500
 C                  4.05977200   -0.16255900    2.29646800
 C                  4.54647300    2.34502500    1.18044300
 H                  2.89913300    1.91534900   -0.12987500
 C                  5.07581900    0.64382800    2.80659500
 H                  3.89695500   -1.14211800    2.73270200
 C                  5.32354400    1.89721400    2.24766600
 H                  4.73082600    3.32058300    0.74278600
 H                  5.67735200    0.28887500    3.63702900
 H                  6.11841000    2.52156000    2.64223400
 C                  1.22363900   -1.74806600    1.87906200
 H                  0.93937100   -1.01159600    2.63116800
 H                  1.94503700   -2.42531300    2.34029800
 I                 -0.04304800    1.81981000    1.82973100
 C                 -0.53967300    2.15747600   -1.88861500
 N                  0.66711400    1.93313000   -2.33375100
 C                 -1.52247500    1.07449400   -1.66022700
 C                  0.05658800   -0.49467800   -2.36854400
 C                  1.03493900    0.58460000   -2.78539700
 H                  1.12904900    0.62465700   -3.88565800
 H                  2.04400300    0.37610600   -2.42566900
 C                 -2.96191200    1.44200600   -1.37259500
 H                 -3.40580300    1.94423400   -2.24377000
 H                 -3.09636300    2.10397300   -0.51970600
 H                 -3.55848400    0.54590300   -1.19304000
 C                 -0.88899300    3.61461100   -1.74569500
 C                 -1.51566000    4.19633400   -0.63649500
 C                 -0.57536400    4.44066600   -2.83703500
 C                 -1.80901000    5.55913300   -0.61732000
 H                 -1.73723200    3.59633700    0.23472800
 C                 -0.88200200    5.79906400   -2.82488200
 H                 -0.08717900    4.00509800   -3.70123000
 C                 -1.49978000    6.36573100   -1.71116600
 H                 -2.27925600    5.99070300    0.26068700
 H                 -0.63569100    6.41359600   -3.68495900
 H                 -1.73605000    7.42486100   -1.69506300
 C                  0.44501200   -1.86308000   -2.87599600
 H                  0.36632100   -1.87587200   -3.97429500
 H                 -0.21345900   -2.64956700   -2.51097000
 H                  1.47235400   -2.13149200   -2.62419400
 C                 -1.34549800   -0.02957300   -2.70085000
 H                 -2.07976200   -0.82287700   -2.54985900
 H                 -1.46668100    0.32357700   -3.74292900
 
83
TS13-Co-t   SCF Done:  E(UM06) =  -3926.82414007
 Co                -0.24132100   -0.41208700    0.91142000
 P                  1.19400000   -0.54669400   -1.22125000
 P                 -1.92044900    0.66844400   -0.72652200
 C                 -0.14195500   -0.72981400   -2.51271800
 H                 -0.60169500   -1.70562000   -2.34319200
 H                  0.29135500   -0.73371700   -3.51531700
 C                  2.30085700   -1.98825400   -1.54246800
 C                  2.41231600   -2.60784200   -2.79522800
 C                  3.06304500   -2.49025200   -0.47908800
 C                  3.27331500   -3.68942200   -2.97886700
 H                  1.82854000   -2.26079900   -3.63932700
 C                  3.93151700   -3.56320900   -0.66435100
 H                  2.96160500   -2.05718900    0.50911900
 C                  4.03920300   -4.16590700   -1.91674100
 H                  3.34360700   -4.15786800   -3.95503800
 H                  4.51275100   -3.93529200    0.17276400
 H                  4.70967000   -5.00638700   -2.06201700
 C                  2.12620500    0.91327800   -1.88061000
 C                  3.09619700    0.81762000   -2.88777100
 C                  1.80644600    2.17901500   -1.37111600
 C                  3.72062000    1.96245400   -3.37960700
 H                  3.37553000   -0.14974200   -3.28904400
 C                  2.42165200    3.32477400   -1.87331400
 H                  1.08756900    2.27031100   -0.56494300
 C                  3.38092900    3.21890700   -2.87846400
 H                  4.47280900    1.87131700   -4.15653500
 H                  2.15861200    4.29674200   -1.46925100
 H                  3.86694000    4.10886200   -3.26460400
 C                 -3.56838400   -0.15589700   -0.82817400
 C                 -3.75759000   -1.31528300   -1.59106200
 C                 -4.64729000    0.34146900   -0.08230400
 C                 -4.99694800   -1.95337000   -1.61749200
 H                 -2.94418900   -1.73374400   -2.17144500
 C                 -5.88422900   -0.29849900   -0.10858600
 H                 -4.53299600    1.24368300    0.50835000
 C                 -6.06336700   -1.44847300   -0.87656500
 H                 -5.12535700   -2.84689200   -2.21942200
 H                 -6.70882500    0.10599900    0.46908000
 H                 -7.02740700   -1.94552800   -0.89860200
 C                 -2.35709100    2.46325300   -0.82615300
 C                 -1.67931700    3.39500800   -0.03138400
 C                 -3.31291600    2.91696900   -1.74901700
 C                 -1.95795000    4.75787400   -0.15621200
 H                 -0.93713700    3.05544000    0.68523000
 C                 -3.58497300    4.27659500   -1.87028500
 H                 -3.85171100    2.21094300   -2.37145000
 C                 -2.90827900    5.20078700   -1.07235100
 H                 -1.42979900    5.47143500    0.46803500
 H                 -4.32595200    4.61471400   -2.58728200
 H                 -3.12367300    6.26013000   -1.16645400
 C                 -1.16719000    0.40547200   -2.42475100
 H                 -0.68748100    1.35359700   -2.67712300
 H                 -1.96586000    0.25862700   -3.15567900
 I                 -0.81491300   -3.10234600    0.61684000
 C                  1.06779300    0.91182600    2.45694000
 N                 -0.00729100    1.69185800    2.21051400
 C                  1.00506900   -0.39157400    2.99943400
 C                 -1.43802100   -0.21576000    2.86866400
 C                 -1.27409300    1.27608200    2.82071900
 H                 -1.31864300    1.67912200    3.85120400
 H                 -2.09448200    1.75308100    2.27953100
 C                  2.19004400   -1.21861200    3.41927400
 H                  2.16185400   -1.36091300    4.50871900
 H                  3.15428800   -0.78134400    3.17231000
 H                  2.14892700   -2.22336200    2.98464900
 C                  2.38028900    1.58453600    2.15945900
 C                  3.44503600    0.99245800    1.47062400
 C                  2.55293400    2.89222300    2.63794300
 C                  4.64426000    1.67489600    1.27464500
 H                  3.33826700   -0.00209400    1.06021600
 C                  3.75199500    3.57536300    2.45024500
 H                  1.73364700    3.36865300    3.16324100
 C                  4.80553800    2.96820500    1.76734400
 H                  5.44896600    1.19542800    0.72675200
 H                  3.86279200    4.58300400    2.83820000
 H                  5.73996200    3.49903300    1.61684700
 C                 -2.81045100   -0.78484700    3.03468400
 H                 -3.53909000   -0.32836600    2.36276300
 H                 -3.15914400   -0.60099100    4.06421200
 H                 -2.82279800   -1.86475300    2.87770300
 C                 -0.30421200   -0.87066600    3.60343500
 H                 -0.37444300   -1.95885500    3.53138700
 H                 -0.33920200   -0.63350500    4.68613200
 
83
TS14-Co-1-s   SCF Done:  E(RM06) =  -3926.77154690
 Co                 0.24806400   -0.22540000   -0.61015600
 P                  2.08750600    0.58578400    0.58806800
 P                 -0.86448100   -0.25109700    1.43407100
 C                  1.64377300    0.43616700    2.40317100
 H                  1.34854500    1.43595000    2.72202900
 H                  2.52830400    0.16329500    2.98128100
 C                  2.80726600    2.29776400    0.49594000
 C                  3.30761500    2.94308100    1.63708700
 C                  2.92662800    2.95075200   -0.73796700
 C                  3.88604200    4.20731800    1.54582200
 H                  3.26422400    2.46630000    2.60832100
 C                  3.51228800    4.21261100   -0.83163200
 H                  2.57209800    2.47821900   -1.64494300
 C                  3.98817600    4.84803800    0.31227400
 H                  4.26198900    4.68808300    2.44280700
 H                  3.59184000    4.69530400   -1.79975800
 H                  4.43932300    5.83207400    0.24346900
 C                  3.63629600   -0.43330900    0.45939400
 C                  4.71002800   -0.02654200   -0.34320700
 C                  3.75351900   -1.63097900    1.17682800
 C                  5.86880000   -0.79693500   -0.42683500
 H                  4.66249100    0.90354400   -0.89645000
 C                  4.91660100   -2.39415600    1.10185400
 H                  2.93816400   -1.98624500    1.79309800
 C                  5.97718600   -1.98243000    0.29700800
 H                  6.68927400   -0.46173700   -1.05276900
 H                  4.98856700   -3.31509400    1.67105000
 H                  6.88149300   -2.57890500    0.23731700
 C                 -1.73673400    1.25992000    2.07716300
 C                 -2.86437400    1.71490900    1.37644200
 C                 -1.35318200    1.94737500    3.23583100
 C                 -3.58116600    2.82404600    1.81688900
 H                 -3.19587600    1.19519100    0.48429200
 C                 -2.06780400    3.06384700    3.67325700
 H                 -0.50642700    1.61962900    3.82567200
 C                 -3.18150700    3.50732600    2.96554200
 H                 -4.45210100    3.15390400    1.26049500
 H                 -1.75178800    3.58037600    4.57368200
 H                 -3.73731600    4.37399500    3.30746900
 C                 -2.13371500   -1.53552900    1.82627900
 C                 -2.60963500   -1.69757500    3.13548700
 C                 -2.66664700   -2.33145400    0.80808200
 C                 -3.58840900   -2.64668700    3.41874900
 H                 -2.22773700   -1.07802700    3.94011800
 C                 -3.65746000   -3.27232500    1.09007200
 H                 -2.29123500   -2.23085900   -0.20168600
 C                 -4.11666200   -3.43451300    2.39502400
 H                 -3.94296800   -2.76655700    4.43725900
 H                 -4.06329800   -3.88140800    0.28898900
 H                 -4.88388600   -4.16951600    2.61539100
 C                  0.49562100   -0.54708700    2.65747800
 H                  0.80780100   -1.57919400    2.48776700
 H                  0.15515500   -0.47974500    3.69317900
 I                  0.74712900   -3.22164600   -0.50654700
 C                 -1.76121300    0.38934000   -2.60467000
 N                 -1.63626200   -0.75680600   -3.17817000
 C                 -0.51793000    1.20481300   -2.34496700
 C                  0.69118300    0.00237000   -2.99230900
 C                 -0.24373100   -1.10096400   -3.44999100
 H                 -0.14058500   -1.23706800   -4.53715700
 H                 -0.01612800   -2.06233600   -2.98672100
 C                 -0.53609100    2.43758200   -1.45864300
 H                  0.45588800    2.68199600   -1.09041700
 H                 -1.19121300    2.33124300   -0.59735800
 H                 -0.86623500    3.30539500   -2.04324200
 C                 -3.14022700    0.87564000   -2.30842700
 C                 -3.51887200    2.20768100   -2.52342000
 C                 -4.11999200   -0.03996300   -1.89523800
 C                 -4.83645000    2.61440600   -2.31908400
 H                 -2.79603600    2.93087900   -2.87851100
 C                 -5.43188400    0.36863700   -1.67824600
 H                 -3.84084700   -1.07509100   -1.74491800
 C                 -5.79527600    1.69971100   -1.88802500
 H                 -5.11223400    3.64777200   -2.50138000
 H                 -6.17172400   -0.35205300   -1.34579400
 H                 -6.81864100    2.01930700   -1.72147600
 C                  2.16803100   -0.32395000   -2.90021300
 H                  2.51912100   -0.54971200   -3.91769600
 H                  2.37568900   -1.18738700   -2.27032900
 H                  2.76210400    0.51984100   -2.55244100
 C                  0.29577000    1.30170000   -3.60996100
 H                 -0.23596400    1.27684600   -4.56258600
 H                  1.05788500    2.07837300   -3.58876000
 
83
TS14-Co-1-t   SCF Done:  E(UM06) =  -3926.82573390 
 Co                 0.15035200   -0.09515000   -0.78937500
 P                  2.24987400    0.52230500    0.53168000
 P                 -0.95614100   -0.19166800    1.48511800
 C                  1.67229700    0.48494600    2.31701900
 H                  1.37898300    1.51225200    2.54113400
 H                  2.50942000    0.24970100    2.97798400
 C                  3.07794800    2.18257700    0.46346700
 C                  3.83563400    2.67365700    1.53821000
 C                  2.97785200    2.96289200   -0.69333200
 C                  4.45951300    3.91547300    1.45825100
 H                  3.94961300    2.08693400    2.44292000
 C                  3.60951200    4.20476800   -0.77853700
 H                  2.40943500    2.60241800   -1.54194100
 C                  4.34769300    4.68523000    0.29916600
 H                  5.03812400    4.28098900    2.30029100
 H                  3.51990700    4.79248200   -1.68603300
 H                  4.83653700    5.65181200    0.23822900
 C                  3.73369000   -0.58769200    0.53670700
 C                  4.77484200   -0.35750500   -0.37382400
 C                  3.82908400   -1.68938800    1.39599600
 C                  5.88254400   -1.20117600   -0.41850000
 H                  4.73607400    0.49395800   -1.04454900
 C                  4.94067000   -2.53014300    1.35462000
 H                  3.03975100   -1.90770900    2.10473400
 C                  5.97021600   -2.29084800    0.44706400
 H                  6.67995200   -1.00145800   -1.12694000
 H                  4.99739000   -3.37476500    2.03358400
 H                  6.83420700   -2.94630800    0.41509900
 C                 -1.80500400    1.30119900    2.18757800
 C                 -2.99444700    1.71983400    1.56946100
 C                 -1.33804500    2.02430400    3.29197200
 C                 -3.69527700    2.82494200    2.04388300
 H                 -3.38521300    1.17429500    0.71589600
 C                 -2.03667100    3.13809500    3.76156900
 H                 -0.43485000    1.72683700    3.81033000
 C                 -3.21526000    3.54201500    3.14041900
 H                 -4.61522200    3.12708800    1.55451500
 H                 -1.65684100    3.68437200    4.61875800
 H                 -3.75816800    4.40644200    3.50779400
 C                 -2.13981500   -1.51622700    2.00085800
 C                 -2.49314900   -1.69442400    3.34627100
 C                 -2.73046200   -2.33315000    1.03150500
 C                 -3.40885200   -2.67764400    3.71220300
 H                 -2.06531300   -1.06021200    4.11560300
 C                 -3.65538800   -3.31150800    1.39766100
 H                 -2.45292200   -2.21543500   -0.00836000
 C                 -3.99323900   -3.48767900    2.73747000
 H                 -3.67035800   -2.80746200    4.75734500
 H                 -4.10627000   -3.93748500    0.63456500
 H                 -4.71018600   -4.25048100    3.02304300
 C                  0.50530900   -0.47388800    2.60013900
 H                  0.79463100   -1.51033900    2.41393200
 H                  0.22224000   -0.41141200    3.65390500
 I                  0.67265600   -2.95676500   -0.65843200
 C                 -1.85510000    0.41756500   -2.74311100
 N                 -1.69681600   -0.63981500   -3.46288700
 C                 -0.66461700    1.22921200   -2.33414200
 C                  0.67962400    0.01932300   -3.17842200
 C                 -0.30373400   -0.98206700   -3.71986400
 H                 -0.17463000   -1.03328800   -4.81331300
 H                 -0.11796600   -1.98982500   -3.33962100
 C                 -0.76581600    2.39571900   -1.36136000
 H                  0.18338500    2.58741100   -0.85565800
 H                 -1.52760700    2.25764100   -0.59741800
 H                 -0.99882400    3.31413400   -1.91357200
 C                 -3.25216600    0.80467400   -2.38111600
 C                 -3.70587100    2.12544700   -2.49600600
 C                 -4.16306800   -0.18571200   -1.98698300
 C                 -5.03335900    2.44739800   -2.21941300
 H                 -3.03191900    2.90619600   -2.82756500
 C                 -5.48538800    0.13766200   -1.69622000
 H                 -3.82356800   -1.21161600   -1.91138700
 C                 -5.92525300    1.45674400   -1.81121500
 H                 -5.37019700    3.47321900   -2.32628300
 H                 -6.17301700   -0.64016300   -1.38077400
 H                 -6.95648800    1.70964800   -1.58805700
 C                  2.13961100   -0.34579200   -3.15224800
 H                  2.48653300   -0.41696700   -4.19537400
 H                  2.32429700   -1.30111200   -2.66343100
 H                  2.74844200    0.42109200   -2.67405200
 C                  0.26803200    1.40824600   -3.51185100
 H                 -0.20525500    1.57788600   -4.48574100
 H                  1.04280500    2.15352000   -3.33342500
 
83
TS14-Co-s   SCF Done:  E(RM06) =  -3926.78964807
 Co                -0.29434400    0.17568400   -0.70505200
 P                  0.29720800    1.33229700    1.22664000
 P                 -1.16971100   -1.36765900    0.81737600
 C                 -1.08921300    1.00855300    2.40571000
 H                 -1.97851400    1.48288800    1.98706000
 H                 -0.90218800    1.44067000    3.39136000
 C                  0.60930600    3.14793800    1.26891700
 C                  1.84813700    3.63521500    0.82700900
 C                 -0.35354400    4.05831700    1.72031300
 C                  2.11522800    5.00195200    0.83276200
 H                  2.62006700    2.94953600    0.49365600
 C                 -0.07965600    5.42536900    1.73453700
 H                 -1.32212000    3.71260700    2.05757300
 C                  1.15130500    5.90120400    1.28783500
 H                  3.07892800    5.36195800    0.48809500
 H                 -0.83385000    6.11778100    2.09365000
 H                  1.36044400    6.96572800    1.29740800
 C                  1.77546200    0.69063500    2.13519800
 C                  2.07997500    1.14704000    3.42703500
 C                  2.61634600   -0.24987400    1.53413800
 C                  3.19514400    0.66040800    4.10192500
 H                  1.45332100    1.89068100    3.90819200
 C                  3.73978600   -0.73164600    2.20785400
 H                  2.39479100   -0.60481700    0.53479000
 C                  4.02824000   -0.28044900    3.49266400
 H                  3.41784200    1.01829000    5.10168400
 H                  4.38504400   -1.45787600    1.72530600
 H                  4.89961400   -0.65556300    4.01905400
 C                 -2.92493800   -1.89870900    0.57121900
 C                 -3.25652800   -3.20766000    0.19879000
 C                 -3.95211400   -0.95591000    0.71778400
 C                 -4.58705600   -3.56805700   -0.01145700
 H                 -2.48198500   -3.95536900    0.07551400
 C                 -5.28032700   -1.32016400    0.51158300
 H                 -3.72242800    0.07362300    0.96832400
 C                 -5.60233200   -2.62708500    0.14664700
 H                 -4.82665100   -4.58715600   -0.29646100
 H                 -6.06341600   -0.57887600    0.63163000
 H                 -6.63746400   -2.90890800   -0.01468600
 C                 -0.33632700   -2.94657200    1.30286100
 C                  0.80881500   -3.39709100    0.64199600
 C                 -0.82872700   -3.68940700    2.38902700
 C                  1.44890700   -4.56876900    1.05107200
 H                  1.20336500   -2.84549500   -0.20121000
 C                 -0.18669500   -4.85337800    2.79887800
 H                 -1.71938300   -3.36571600    2.91627700
 C                  0.95503100   -5.29699200    2.12908800
 H                  2.33460200   -4.90818400    0.52434900
 H                 -0.57881800   -5.41555800    3.63986300
 H                  1.45397200   -6.20600500    2.44811000
 C                 -1.25793600   -0.50879200    2.50045700
 H                 -0.45205100   -0.93367700    3.10046900
 H                 -2.19777200   -0.77176800    2.98756100
 I                 -2.70699800    2.64369700   -1.03414000
 C                 -0.25527400   -2.36739100   -2.60014100
 N                  1.20107800   -2.33691300   -2.53123400
 C                 -0.89290700   -0.99507300   -2.66029300
 C                  0.76330100    0.00993800   -2.54918300
 C                  1.69238800   -1.14867600   -2.44928100
 C                 -2.40516900   -0.92422200   -2.65806700
 H                 -2.76721600    0.09209700   -2.51039500
 H                 -2.85893700   -1.56349900   -1.90514900
 H                 -2.75202800   -1.26289800   -3.64619100
 C                  3.16827900   -0.97418600   -2.35749900
 C                  3.81357500    0.12284000   -2.94621000
 C                  3.95107000   -1.95737100   -1.73319500
 C                  5.20191300    0.23744000   -2.90403200
 H                  3.23891400    0.87946400   -3.46749400
 C                  5.33567400   -1.83748700   -1.68284800
 H                  3.46294700   -2.81909300   -1.29501700
 C                  5.96645100   -0.73733500   -2.26646700
 H                  5.68437400    1.08788100   -3.37393200
 H                  5.92452000   -2.60306200   -1.18857100
 H                  7.04662700   -0.64407500   -2.22758500
 C                  1.02675800    1.39410800   -2.05395700
 H                  1.93557300    1.50078200   -1.47126700
 H                  0.15660500    1.79543700   -1.44409300
 H                  1.01996800    2.12125600   -2.87102800
 C                 -0.19655900   -0.15976600   -3.68985500
 H                  0.18173400   -0.66383600   -4.58420700
 H                 -0.73604800    0.75091200   -3.94495500
 H                 -0.63130900   -2.97173800   -1.76863900
 H                 -0.52761000   -2.92240400   -3.51168000
 
83
TS14-Co-t   SCF Done:  E(UM06) =  -3926.82712418
 Co                 0.32648800   -0.34274400   -0.82723500
 P                 -0.76135700   -0.20129400    1.42346000
 P                  2.28542900    0.70345900    0.40847200
 C                  0.73314300   -0.39466700    2.53265600
 H                  1.11959600   -1.40086000    2.35856600
 H                  0.43939600   -0.33377700    3.58316700
 C                 -1.94034200   -1.42177100    2.16522600
 C                 -3.23061400   -1.05931800    2.57633500
 C                 -1.55683800   -2.76864100    2.26764500
 C                 -4.10974000   -2.01533800    3.08582300
 H                 -3.55571500   -0.02810100    2.50827200
 C                 -2.43509800   -3.71904000    2.78320000
 H                 -0.57673600   -3.08335500    1.92686000
 C                 -3.71478900   -3.34679000    3.19443400
 H                 -5.10312200   -1.71331100    3.40149300
 H                 -2.11808900   -4.75419700    2.85938800
 H                 -4.39817900   -4.08890000    3.59373700
 C                 -1.43109200    1.43437300    1.96407700
 C                 -1.55284600    1.79206700    3.31574000
 C                 -1.81428200    2.35920600    0.98611300
 C                 -2.04231200    3.04464500    3.67558600
 H                 -1.27393700    1.09198800    4.09590600
 C                 -2.31018400    3.61309400    1.34653400
 H                 -1.73046800    2.09964200   -0.06312200
 C                 -2.42243500    3.95831800    2.69077800
 H                 -2.12899500    3.30762000    4.72473100
 H                 -2.60525900    4.31680200    0.57529200
 H                 -2.80459300    4.93370800    2.97325800
 C                  3.92521100   -0.13659700    0.32446900
 C                  4.71574200    0.04305600   -0.82084800
 C                  4.38111700   -1.00529200    1.32218700
 C                  5.93528600   -0.61453400   -0.95514400
 H                  4.38922500    0.71135900   -1.61081700
 C                  5.60257400   -1.66530200    1.18641200
 H                  3.79028100   -1.18526600    2.21242500
 C                  6.38362400   -1.47211100    0.04970100
 H                  6.53486900   -0.45637400   -1.84559000
 H                  5.93949600   -2.33301700    1.97257200
 H                  7.33345600   -1.98589100   -0.05458200
 C                  2.72643100    2.48962200    0.20628400
 C                  1.74156100    3.36496000   -0.26866600
 C                  3.97499600    3.01339700    0.56951300
 C                  1.99457700    4.73143000   -0.38010400
 H                  0.76554800    2.98006500   -0.54191000
 C                  4.22963000    4.37848300    0.45278900
 H                  4.75339400    2.35743600    0.94164300
 C                  3.24161700    5.24050100   -0.02288500
 H                  1.21909600    5.39396900   -0.74993100
 H                  5.20140100    4.76893600    0.73703500
 H                  3.44326500    6.30265000   -0.11379500
 C                  1.79242800    0.66688800    2.21555500
 H                  1.39533900    1.66119900    2.43031000
 H                  2.67341800    0.54606900    2.84970300
 I                  1.34937700   -3.05615200   -0.52734000
 C                 -0.36957900    1.41252500   -3.10347000
 N                 -1.76771600    1.58245900   -2.74236200
 C                  0.10445400   -0.01845300   -3.02277000
 C                 -1.57517800   -0.78578100   -2.31760100
 C                 -2.32700500    0.50525000   -2.30775200
 C                  1.58053100   -0.28204700   -3.26615900
 H                  1.87962500   -1.29050800   -2.98048300
 H                  2.22970000    0.43420700   -2.76065800
 H                  1.75519300   -0.18258400   -4.34707900
 C                 -3.78337700    0.59029500   -1.97030800
 C                 -4.60808600    1.33847700   -2.82644600
 C                 -4.36538700   -0.01131000   -0.84731900
 C                 -5.96942300    1.47304400   -2.57248300
 H                 -4.16657700    1.81238900   -3.69471000
 C                 -5.72695700    0.13529100   -0.58566700
 H                 -3.76268600   -0.57705400   -0.15130400
 C                 -6.53567200    0.87174400   -1.44831200
 H                 -6.58880000    2.04759800   -3.25363500
 H                 -6.15230100   -0.32843000    0.29833500
 H                 -7.59670100    0.97690200   -1.24714900
 C                 -2.10151600   -2.05837700   -1.69848500
 H                 -2.31957700   -1.98926000   -0.63604200
 H                 -1.38082400   -2.86363200   -1.82851100
 H                 -3.02269900   -2.34862200   -2.22410700
 C                 -0.88463400   -0.93485500   -3.65358100
 H                 -1.41873700   -0.56913500   -4.53749000
 H                 -0.50089500   -1.94064000   -3.81918800
 H                  0.23886500    2.09227500   -2.49740700
 H                 -0.24868800    1.75989200   -4.14159000
 
83
TS15-Co-t   SCF Done:  E(UM06) =  -3926.82317342
 Co                 0.05441000   -0.05946400    0.56761800
 P                 -1.42357900   -0.19712500   -1.35845800
 P                  1.49451000    1.27544500   -0.85910500
 C                 -0.58616100    0.82626500   -2.68307000
 H                 -0.94278300    1.84827500   -2.52832900
 H                 -0.91863000    0.53552700   -3.68232200
 C                 -3.15284100    0.45883400   -1.44046400
 C                 -3.90722400    0.38724000   -2.62188400
 C                 -3.71918600    1.05991900   -0.31180000
 C                 -5.19471400    0.91369500   -2.67201800
 H                 -3.49461800   -0.08801400   -3.50585000
 C                 -5.01203100    1.58553300   -0.36257500
 H                 -3.15349300    1.11765900    0.61067900
 C                 -5.75038800    1.51471600   -1.54078300
 H                 -5.76647100    0.85225100   -3.59240700
 H                 -5.43874200    2.04639400    0.52213500
 H                 -6.75553700    1.92173300   -1.57974900
 C                 -1.64148100   -1.87074000   -2.11325000
 C                 -1.00947100   -2.28245000   -3.29142300
 C                 -2.44686400   -2.79182600   -1.42554500
 C                 -1.18399600   -3.58076300   -3.77544800
 H                 -0.37673900   -1.60188200   -3.84907600
 C                 -2.62719500   -4.08253600   -1.91265300
 H                 -2.93472200   -2.49986200   -0.50073300
 C                 -1.99369600   -4.48271500   -3.09067900
 H                 -0.68660300   -3.88125000   -4.69197400
 H                 -3.25942700   -4.77826800   -1.37051000
 H                 -2.13075000   -5.49029100   -3.46905700
 C                  1.32173300    3.11994700   -0.95581300
 C                  0.14234500    3.70804200   -0.48017000
 C                  2.30255700    3.94527600   -1.52393300
 C                 -0.05774100    5.08522200   -0.57561400
 H                 -0.62688300    3.08786800   -0.03308600
 C                  2.10687500    5.32201900   -1.61074300
 H                  3.22581500    3.51499900   -1.89597700
 C                  0.92600800    5.89557700   -1.13848600
 H                 -0.97888600    5.52240500   -0.20443100
 H                  2.87782500    5.94738600   -2.04935900
 H                  0.77589100    6.96796100   -1.20681200
 C                  3.32450000    1.04037900   -0.88601400
 C                  4.02905400    0.52916300   -1.98295400
 C                  4.03741100    1.35440300    0.28147700
 C                  5.41001400    0.33642000   -1.91286500
 H                  3.51503700    0.27979200   -2.90334900
 C                  5.41549700    1.17134500    0.34746900
 H                  3.51235700    1.74786800    1.14610600
 C                  6.10667300    0.65694600   -0.75060200
 H                  5.93870800   -0.06216300   -2.77266200
 H                  5.94880600    1.42381900    1.25814700
 H                  7.17992100    0.50689400   -0.69835700
 C                  0.94556800    0.78567900   -2.58144600
 H                  1.31498600   -0.22550400   -2.76945900
 H                  1.39089500    1.44314300   -3.33281500
 I                  1.45878000   -2.50396600    0.09823000
 C                 -0.58627200   -0.44969000    2.70060400
 N                 -1.10796500   -1.66002400    2.41055900
 C                  0.80328000   -0.15583100    2.79919200
 C                  1.24689800   -2.65206400    2.34923600
 C                 -0.24727100   -2.80522700    2.63598900
 H                 -0.28658900   -3.08268900    3.70817300
 H                 -0.64194100   -3.67184100    2.09732800
 C                  1.37758100    1.03715900    3.54080100
 H                  0.71709100    1.89816900    3.59858000
 H                  2.31353400    1.37766900    3.08371600
 H                  1.63210300    0.76484100    4.57863200
 C                 -1.63423200    0.60789800    2.96450700
 C                 -1.51249200    1.95901100    2.60415800
 C                 -2.80948200    0.22030300    3.62798700
 C                 -2.51223300    2.88415400    2.90060600
 H                 -0.63158500    2.29398300    2.07280300
 C                 -3.80898100    1.14164700    3.93200700
 H                 -2.92493600   -0.82218300    3.89638600
 C                 -3.66628600    2.48147100    3.57097000
 H                 -2.38861800    3.91991100    2.60010800
 H                 -4.70250400    0.81155600    4.45310000
 H                 -4.44409700    3.20085300    3.80609000
 C                  2.06622000   -3.86023300    2.77651100
 H                  1.98144800   -3.97706100    3.86303700
 H                  3.12421100   -3.74027900    2.53536200
 H                  1.70594900   -4.78061000    2.31253900
 C                  1.75639300   -1.33729700    2.91862200
 H                  2.73956200   -1.09583500    2.50108200
 H                  1.94759200   -1.53346500    3.99052500
 
83
TS16-Co-t   SCF Done:  E(UM06) =  -3926.80750864
 Co                -0.10669100   -0.39242100   -0.20173300
 P                  1.14423800    1.26798800    1.17533200
 P                 -1.96096400    1.25955900   -0.06277900
 C                 -0.08667100    2.64938500    1.48352300
 H                  0.03998900    3.37436600    0.67675600
 H                  0.15398300    3.17535600    2.40849000
 C                  2.59609800    2.19886400    0.49262000
 C                  3.87603800    2.10312900    1.05325700
 C                  2.43083200    2.96751000   -0.67051600
 C                  4.95625800    2.77381700    0.47898600
 H                  4.03729900    1.50969800    1.94512400
 C                  3.50926300    3.63991000   -1.23977300
 H                  1.45841700    3.04945300   -1.14416100
 C                  4.77705000    3.54740900   -0.66525800
 H                  5.93862900    2.69093100    0.93243300
 H                  3.35758200    4.23471800   -2.13454700
 H                  5.61719000    4.07105900   -1.10902500
 C                  1.72961300    0.75484400    2.84738200
 C                  1.92892200    1.66203400    3.89804800
 C                  2.03233600   -0.59630700    3.05494600
 C                  2.40911700    1.22314800    5.12957900
 H                  1.72475800    2.71839100    3.76353800
 C                  2.52496300   -1.03321700    4.28428400
 H                  1.86849200   -1.30970100    2.25592300
 C                  2.70949700   -0.12530700    5.32477100
 H                  2.55375800    1.93589800    5.93479000
 H                  2.75609400   -2.08336100    4.42872300
 H                  3.08614200   -0.46473000    6.28403700
 C                 -2.10384600    2.66133800   -1.26234500
 C                 -1.19764500    2.74284200   -2.32563900
 C                 -3.08595400    3.65408500   -1.13152900
 C                 -1.26486600    3.79670000   -3.23874200
 H                 -0.44235100    1.97430400   -2.44625500
 C                 -3.15409600    4.70441600   -2.04253400
 H                 -3.80747900    3.60325300   -0.32258500
 C                 -2.24274400    4.77812200   -3.09793700
 H                 -0.55683200    3.84453300   -4.05941800
 H                 -3.92000400    5.46504900   -1.93156900
 H                 -2.29960500    5.59608300   -3.80847600
 C                 -3.71717900    0.74208500    0.15281000
 C                 -4.39383400    0.80606000    1.37657300
 C                 -4.38818500    0.21366000   -0.96096700
 C                 -5.71067900    0.35535600    1.48257900
 H                 -3.90811600    1.20888400    2.25707400
 C                 -5.70265800   -0.23131000   -0.85461100
 H                 -3.88494200    0.15489300   -1.92130700
 C                 -6.36813200   -0.16376200    0.37029500
 H                 -6.22041000    0.41408000    2.43874800
 H                 -6.20669900   -0.63282400   -1.72761000
 H                 -7.39168000   -0.51335800    0.45501300
 C                 -1.53707300    2.14953700    1.52191200
 H                 -1.67005100    1.44027200    2.34249200
 H                 -2.21594100    2.98907600    1.69464800
 I                 -1.17050900   -2.23394900    1.47086900
 C                  0.06118700   -4.44702400   -0.87848400
 N                  1.29708600   -3.77695700   -1.26038700
 C                 -1.21635600   -3.65959100   -0.98961200
 C                  0.12819000   -1.67472200   -1.90046200
 C                  1.30341600   -2.56186500   -1.70653600
 C                 -2.49299100   -4.42432400   -0.84666000
 H                 -3.36189500   -3.76729000   -0.77510000
 H                 -2.47813400   -5.07843200    0.02925700
 H                 -2.63853500   -5.07358100   -1.72490900
 C                  2.67222100   -2.07726800   -2.11019600
 C                  3.14681900   -0.79924800   -1.79368900
 C                  3.52121800   -2.93893400   -2.82005700
 C                  4.42970600   -0.39597400   -2.16297600
 H                  2.51477700   -0.11737500   -1.23809800
 C                  4.79793500   -2.53573700   -3.20392300
 H                  3.16710800   -3.93351100   -3.06491700
 C                  5.25969500   -1.26117700   -2.87416800
 H                  4.77727600    0.59537600   -1.89106900
 H                  5.43344200   -3.21783100   -3.76036100
 H                  6.25599200   -0.94612400   -3.16794300
 C                  0.18714000   -0.80702500   -3.16886000
 H                  0.97898200   -0.05674900   -3.14489200
 H                 -0.75960300   -0.27594500   -3.30414800
 H                  0.34675300   -1.40678100   -4.07907500
 C                 -1.16469000   -2.49768700   -1.90422000
 H                 -1.26252000   -2.94740900   -2.91594400
 H                 -2.05301600   -1.86775500   -1.79681300
 H                 -0.03252400   -5.35485200   -1.50540000
 H                  0.17310700   -4.84056300    0.14054600
 
83
TS17-Co-t   SCF Done:  E(RM06) =  -3926.83225289    
 Co                 0.34238600   -0.46683700    0.92868900
 P                  2.02465400    0.47340000   -0.54986400
 P                 -1.17093900   -0.05094300   -1.18027300
 C                  1.47953800   -0.11563300   -2.22723400
 H                  1.52728200   -1.20291600   -2.18562600
 H                  2.18432600    0.20548400   -2.99722800
 C                  3.79560900   -0.09294600   -0.48934100
 C                  4.17108300   -1.32674600   -1.03970000
 C                  4.78699400    0.69627300    0.11112400
 C                  5.49775300   -1.75300700   -0.99342400
 H                  3.43478900   -1.97205100   -1.49832500
 C                  6.11106500    0.26546400    0.16156500
 H                  4.54091900    1.66127300    0.53563900
 C                  6.47272300   -0.96151000   -0.39100300
 H                  5.76488800   -2.70920000   -1.43145700
 H                  6.85964600    0.89592900    0.63010600
 H                  7.50442600   -1.29531400   -0.35566800
 C                  2.25670500    2.30317500   -0.79841300
 C                  2.46315000    3.13854300    0.30845400
 C                  2.29589300    2.88402400   -2.07511800
 C                  2.69308500    4.50416500    0.15133600
 H                  2.46317000    2.72617700    1.30862100
 C                  2.51351700    4.25179400   -2.23383800
 H                  2.16626600    2.28219800   -2.96489600
 C                  2.71147700    5.06773100   -1.12211800
 H                  2.85476000    5.12359800    1.02703300
 H                  2.53343000    4.67551800   -3.23232900
 H                  2.88354000    6.13131300   -1.24764500
 C                 -2.24195200   -1.35429400   -1.94949300
 C                 -2.51817500   -2.53823400   -1.25912300
 C                 -2.79483500   -1.17481100   -3.22746300
 C                 -3.33076300   -3.52066900   -1.82758000
 H                 -2.07373500   -2.70691700   -0.28729500
 C                 -3.60173100   -2.15600500   -3.79656000
 H                 -2.60963300   -0.26060400   -3.78143800
 C                 -3.87328400   -3.33231400   -3.09587200
 H                 -3.53225400   -4.43430300   -1.27793400
 H                 -4.02099700   -2.00090500   -4.78532100
 H                 -4.50340000   -4.09641300   -3.53917600
 C                 -2.26939000    1.44564000   -1.26977400
 C                 -1.70394600    2.72966600   -1.29351900
 C                 -3.66624600    1.33715400   -1.24509200
 C                 -2.50908200    3.86645900   -1.31895500
 H                 -0.62761600    2.86006100   -1.28560600
 C                 -4.47154200    2.47506100   -1.26534600
 H                 -4.13561500    0.36219200   -1.21628700
 C                 -3.89751100    3.74398000   -1.30746000
 H                 -2.04714700    4.84801400   -1.34565800
 H                 -5.55107200    2.36540300   -1.25185600
 H                 -4.52510000    4.62876400   -1.32855800
 C                  0.05326100    0.32389800   -2.56187400
 H                  0.01176800    1.39341500   -2.76453800
 H                 -0.27876800   -0.17818900   -3.47155000
 I                  0.95245800   -3.00130100    0.08989800
 C                  0.34098100   -1.51856300    3.19818500
 N                 -0.88284200   -1.22771500    2.41220400
 C                  1.39392700   -0.59373800    2.64629200
 C                 -0.26414800    1.10550800    2.32831200
 C                 -1.24750700    0.08071500    2.36123600
 C                  2.82605100   -1.02677600    2.80963800
 H                  3.52959300   -0.33031800    2.34999800
 H                  3.00240400   -2.01676100    2.38414400
 H                  3.07860900   -1.07815500    3.88087700
 C                 -2.72461100    0.31013700    2.25381200
 C                 -3.55710000   -0.67227500    1.69797800
 C                 -3.32988100    1.40593400    2.88584800
 C                 -4.94066800   -0.54351300    1.72954300
 H                 -3.10504800   -1.54875800    1.25714500
 C                 -4.71829800    1.52990500    2.93120300
 H                 -2.72509000    2.15324700    3.38170300
 C                 -5.52975200    0.56214500    2.34493200
 H                 -5.56181900   -1.31229200    1.28125800
 H                 -5.16231000    2.38185800    3.43568400
 H                 -6.60991700    0.65986000    2.37845200
 C                 -0.58679100    2.55163400    2.06588100
 H                  0.22833800    3.03478700    1.52711800
 H                 -0.69529000    3.09813000    3.01237100
 H                 -1.49510800    2.69396400    1.48522500
 C                  1.05401200    0.82469700    3.04242000
 H                  0.95495900    0.97028500    4.13423100
 H                  1.82126500    1.52708700    2.71234100
 H                  0.13205100   -1.37420600    4.27228900
 H                  0.59528700   -2.56653100    3.04478800  