62
11, electronic energy = -1480.2726165 a.u.
 Pt                -1.43306900   -0.44286200   -0.09476500
 N                  0.23904200    0.73584000   -0.02911300
 N                  1.79796200   -0.99642500   -0.34677300
 N                  2.51938300    1.20602200   -0.34127600
 O                 -3.14431200   -1.57947500   -0.18191000
 O                 -2.63560600    1.32610900   -0.37505600
 C                  1.46914500    0.31012200   -0.23419900
 C                  0.04464900    2.14742400    0.16212500
 C                 -0.06919700    2.67436900    1.46305100
 C                 -0.26735600    4.05440400    1.59351300
 C                 -0.34946400    4.89371200    0.48091800
 C                 -0.24508800    4.35618100   -0.80176200
 C                 -0.05730500    2.98215400   -0.95703100
 C                  0.00441700    1.77965700    2.67463600
 C                  1.04678700   -2.15718800   -0.01548400
 C                 -0.34721300   -2.10627200    0.16800700
 C                 -0.97393400   -3.31529300    0.52779900
 C                 -0.26414900   -4.50430300    0.66762400
 C                  1.11203000   -4.52414600    0.44345200
 C                  1.79123400   -3.35542600    0.10116200
 C                  3.28488600   -3.39579000   -0.14253300
 C                  3.89450300    0.85336700   -0.50134400
 C                  4.64685400    0.39939600    0.60407100
 C                  5.99993300    0.10328400    0.39321000
 C                  6.60318400    0.27214200   -0.85391300
 C                  5.85294500    0.74209800   -1.93197400
 C                  4.49888300    1.02273000   -1.75392400
 C                  4.02923200    0.25944500    1.97411700
 C                 -4.33664700   -1.13514000   -0.34235600
 C                 -4.73990900    0.19665000   -0.49228300
 C                 -3.89854800    1.32830400   -0.49984000
 C                 -5.38419600   -2.23078600   -0.36207800
 C                 -4.52003100    2.70177000   -0.67649800
 H                 -4.22635700    3.34344600    0.16161900
 H                 -0.73167900    0.97036800    2.60588400
 H                 -5.61073700    2.66725800   -0.73952300
 H                 -4.12407900    3.16459000   -1.58792800
 H                 -0.18124600    2.34850600    3.59109300
 H                 -0.01713000    2.53394200   -1.94611700
 H                  3.84609900   -2.73812600    0.53585800
 H                  3.89374100    1.37454300   -2.58531300
 H                 -2.04680200   -3.31415400    0.67752900
 H                  3.66596600   -4.41014300    0.00682600
 H                 -0.35953600    4.47639900    2.59168500
 H                 -0.78344700   -5.41913100    0.94334700
 H                 -0.32434800    4.99556100   -1.67679300
 H                  1.67227900   -5.45155200    0.53871000
 H                  3.55351600   -3.10614800   -1.16992100
 H                  6.59412100   -0.24709500    1.23349300
 H                 -0.50148900    5.96103400    0.61769100
 H                  7.65759800    0.04261600   -0.97962600
 H                  6.31235000    0.88115700   -2.90627000
 H                  3.47742400    1.16501500    2.24893600
 H                 -5.80213700    0.37285600   -0.61556300
 H                  4.79977800    0.08149900    2.72990500
 H                  3.31621600   -0.57271700    2.02116000
 H                 -5.15318900   -2.94213000   -1.16302400
 H                 -6.39390000   -1.84018400   -0.51029000
 H                 -5.35120500   -2.78632300    0.58227800
 H                  0.98737200    1.30127800    2.76729500
 H                  2.75503700   -1.15998000   -0.62562100
 H                  2.24590000    2.14256700   -0.61059800
 
 53
 15, electronic energy = -1660.0225111 a.u.
 C                 -1.46123400    0.01069200   -0.12053400
 C                 -0.28170800   -1.87012600    0.75183600
 C                  0.14523100   -2.06982100    2.07078000
 H                  0.41055200   -1.19685900    2.65840400
 C                  0.24081900   -3.35350800    2.60522600
 H                  0.56926700   -3.48374800    3.63204800
 C                 -0.07755400   -4.46740900    1.82363600
 H                 -0.00251600   -5.46911900    2.23639500
 C                 -0.49755700   -4.29313000    0.50495000
 H                 -0.75382300   -5.13088000   -0.13528900
 C                 -0.58208900   -3.00460900   -0.00220900
 C                 -0.67671700    2.36220100    0.03816900
 C                  0.69948200    2.15918100    0.23320800
 C                  1.45442600    3.29051800    0.60191100
 H                  2.52154100    3.17032600    0.74966300
 C                  0.87917000    4.55189300    0.75325700
 H                  1.49834900    5.40039400    1.03263800
 C                 -0.49103100    4.74173900    0.54287400
 H                 -0.97355900    5.70720600    0.65054900
 C                 -1.23811100    3.63417500    0.19352800
 C                  5.63453600    1.51685600   -0.68229600
 H                  6.55211600    0.97023900   -0.91252900
 H                  5.44783900    2.25412400   -1.47122200
 H                  5.77454600    2.07251900    0.25211600
 C                  4.43382200    0.60191700   -0.55211400
 C                  4.60591600   -0.77779600   -0.71284600
 H                  5.61165500   -1.11717000   -0.93112200
 C                  3.60627700   -1.76942000   -0.62306200
 C                  3.98997300   -3.22011400   -0.84494900
 H                  5.06642000   -3.35802300   -0.97443100
 H                  3.64666000   -3.82021900    0.00474100
 H                  3.47404900   -3.59834000   -1.73547200
 N                 -0.31190000   -0.54806800    0.20926700
 N                 -2.61178000   -0.74555800   -0.26079000
 H                 -2.48018500   -1.63393200   -0.73006800
 N                 -1.57170900    1.33662100   -0.34799300
 H                 -2.46095200    1.65698500   -0.70743200
 O                  3.34492300    1.23341700   -0.29717000
 O                  2.37604700   -1.57566200   -0.37382900
 F                 -1.01244400   -2.83779200   -1.28482000
 F                 -2.58354100    3.75488600   -0.02100700
 Pt                 1.51293700    0.35892700   -0.04280700
 C                 -3.94305200   -0.29897800   -0.19159000
 F                 -4.45826600   -2.03749000   -1.69743800
 C                 -4.40036600    0.75238600    0.61787800
 H                 -3.69957400    1.30693700    1.23176100
 C                 -5.75616000    1.08640000    0.63815000
 H                 -6.08525200    1.90928500    1.26529000
 C                 -6.24771000   -0.69438200   -0.91453100
 H                 -6.93224500   -1.28236800   -1.51697600
 C                 -4.89923200   -1.00360500   -0.93833500
 C                 -6.68218000    0.37078600   -0.12116500
 H                 -7.73541300    0.63181600   -0.09680500
 
 53
 18, electronic energy = -1660.0200515 a.u. 
 C                 -1.48621000   -0.01011300   -0.33321800
 C                 -0.40504200    1.99225200    0.29025900
 C                 -0.53072600    2.37424900    1.63162300
 C                 -0.57761100    3.72292300    1.98032600
 C                 -0.49660600    4.67922700    0.97279700
 C                 -0.36491600    4.32828900   -0.36579500
 C                 -0.31160000    2.97493900   -0.70352400
 C                 -0.67311100   -2.36055800   -0.09072600
 C                 -1.21731500   -3.64505700    0.05019600
 C                 -0.41871300   -4.71171400    0.44934500
 C                  0.92132500   -4.44936600    0.70925200
 C                  1.47151800   -3.18395800    0.56851600
 C                  0.68838800   -2.09282400    0.15011900
 C                 -3.98559900    0.23246600   -0.41076500
 C                 -4.38241400   -0.68900800    0.57239800
 C                 -5.70960200   -1.10942800    0.64681700
 C                 -6.63940700   -0.58109400   -0.24197400
 C                 -6.27656300    0.34896600   -1.21004200
 C                 -4.94315600    0.74268600   -1.29992600
 C                  3.64119400    1.83767200   -0.56184300
 C                  4.64894600    0.85280900   -0.52791200
 C                  4.46333800   -0.52319100   -0.34969200
 C                  4.03939100    3.28692200   -0.76917100
 H                  5.12174300    3.42240400   -0.83622400
 H                  3.57601400    3.66338500   -1.68859700
 H                  3.65092800    3.89217000    0.05744000
 C                  5.67078300   -1.43803900   -0.34003700
 H                  6.60597600   -0.89479500   -0.49519700
 H                  5.72055300   -1.96890800    0.61760300
 H                  5.56124600   -2.19628100   -1.12354100
 N                 -0.35040400    0.59938100   -0.05414100
 N                 -1.57666800   -1.34620700   -0.51063200
 H                 -2.46722500   -1.67407700   -0.85813500
 N                 -2.65371600    0.70783000   -0.50137600
 H                 -2.52692700    1.69940400   -0.65318700
 O                  3.35433800   -1.14786300   -0.18482600
 O                  2.39196100    1.64061800   -0.43665200
 Pt                 1.49777500   -0.28544200   -0.12276900
 F                 -0.54558400    5.98593100    1.30529300
 F                  1.71731200   -5.47067900    1.10918300
 F                 -7.92428900   -0.97819600   -0.16136900
 H                 -0.16883700    2.67212500   -1.73602300
 H                 -3.65857600   -1.06440400    1.28832900
 H                 -7.02758900    0.74049500   -1.88786300
 H                 -0.57990700    1.60628700    2.39710600
 H                  2.52869700   -3.04770500    0.76054000
 H                 -2.27447700   -3.81197900   -0.15087000
 H                 -0.67280500    4.03907300    3.01383400
 H                  5.67046200    1.19235400   -0.65214700
 H                 -0.81604300   -5.71419300    0.56489700
 H                 -0.29041700    5.10511300   -1.11963300
 H                 -4.63765700    1.44864000   -2.06708600
 H                 -6.03119700   -1.82148800    1.39947300
 
 64
 19, electronic energy = -1796.9522634 a.u. 
 Pt                -1.52693900    0.15338600    0.12617000
 O                  0.83978400   -2.89160900   -0.58187100
 O                  4.22389100   -1.97280400   -1.59407600
 O                  2.24342700    3.85582700   -0.09081300
 O                 -2.19226300   -1.86333400   -0.19133200
 O                 -4.01234600   -3.02714800   -0.84377600
 N                  0.35205100   -0.45668500    0.65429200
 N                  2.58073900   -0.60615600   -0.05768600
 H                  2.43570400   -1.56608900   -0.36323700
 N                  1.38127000    1.39779900   -0.29302600
 H                  2.20995900    1.76143100   -0.74428800
 N                 -3.43899900    0.48335000   -0.58980200
 C                  1.41760500    0.10716900    0.11944700
 C                  0.44241900   -1.67415600    1.40188100
 C                  0.26499200   -1.63020200    2.78738800
 H                  0.12101300   -0.66175900    3.25677500
 C                  0.24476100   -2.80360000    3.54032700
 H                  0.10375000   -2.75480500    4.61609000
 C                  0.38999400   -4.03604300    2.90147100
 H                  0.36547700   -4.95738000    3.47704100
 C                  0.56947700   -4.09518000    1.51944100
 H                  0.68832300   -5.05345500    1.02454400
 C                  0.59928900   -2.91757200    0.76761800
 C                  0.15851000   -3.86071300   -1.38752500
 H                  0.31120900   -3.54558400   -2.42177300
 H                  0.58239400   -4.86429400   -1.25431600
 H                 -0.90865000   -3.85449100   -1.14958400
 C                  3.88324600   -0.09944000   -0.22771900
 C                  4.35890000    1.04978000    0.41056400
 H                  3.69836900    1.61312200    1.06028900
 C                  5.67740400    1.47423600    0.22006300
 H                  6.02531200    2.37230500    0.72173200
 C                  6.53889900    0.73870700   -0.58752700
 H                  7.56633300    1.05884800   -0.73368000
 C                  6.08737500   -0.42932900   -1.21268200
 H                  6.76472500   -1.00203100   -1.83591400
 C                  4.76929700   -0.84885200   -1.03966700
 C                  5.05752000   -2.81995100   -2.36954700
 H                  4.42747500   -3.65435100   -2.68139900
 H                  5.43940200   -2.30037600   -3.25781900
 H                  5.90185000   -3.19901500   -1.77954600
 C                  0.44308200    2.36519000    0.15033000
 C                 -0.88858700    2.03091700    0.44900600
 C                 -1.68396000    3.06300400    0.99102600
 H                 -2.69491200    2.83788300    1.31895300
 C                 -1.20841300    4.36474600    1.13218200
 H                 -1.85335000    5.13792200    1.54272500
 C                  0.09644600    4.69538500    0.75289600
 H                  0.45653900    5.71234900    0.85682400
 C                  0.92806200    3.68375800    0.27765700
 C                  2.78105500    5.16796400   -0.06797000
 H                  3.80971000    5.07760500   -0.42239500
 H                  2.22339200    5.84098900   -0.73200800
 H                  2.78147000    5.58362500    0.94807500
 C                 -4.00453100    1.66663700   -0.90044100
 H                 -3.39568700    2.54440800   -0.72772800
 C                 -5.29409300    1.75795900   -1.41292300
 H                 -5.70523600    2.73540800   -1.64352600
 C                 -6.02842500    0.59002400   -1.62241800
 H                 -7.03987400    0.63384200   -2.01638600
 C                 -5.42916400   -0.63230900   -1.33265800
 H                 -5.91670600   -1.58727600   -1.49289700
 C                 -4.13268800   -0.65952100   -0.82809900
 C                 -3.41216100   -1.98337000   -0.59701100