133
8 scf done: -3023.73515230
 Os                 0.70072300    0.01607000   -0.30260800
 Cl                 0.45589200    0.03945300   -2.89000200
 P                  0.76613800   -2.49052000   -0.27649000
 S                  6.50383600    0.00798200   -0.20899700
 P                 -4.10069800    0.00555000    0.03937300
 O                  3.84857500    0.00325800    3.80809200
 O                  2.63874700    0.01193000   -1.20121500
 C                  1.03230900   -3.13934000    1.44499500
 C                 -4.52687600   -0.21728100   -1.72379000
 O                  1.93523700   -0.11723100    4.99222200
 C                 -0.36000800   -0.05538700    1.56914700
 C                 -4.86138100    1.57967600    0.58759100
 C                 -4.22623000    2.38302500    1.54583100
 H                 -3.26304600    2.09695600    1.95281100
 C                 -1.73151100   -0.07318900    1.61522500
 H                 -2.28861800   -0.14265000    2.54633800
 P                  0.78939700    2.51030700   -0.19955400
 C                  3.47814100   -0.00117200    0.92348000
 H                  4.26739800   -0.01074300    1.66395900
 C                  2.13452100   -0.00681800    1.28423800
 C                  2.62879500   -0.04884700    3.83237600
 C                 -2.30934600    0.00734700    0.31381800
 C                  0.35993300   -0.08410700    2.78486100
 H                 -0.14959600   -0.12835500    3.74212600
 C                  3.69255800    0.00820600   -0.45587500
 C                  1.72057300   -0.04308600    2.65914300
 C                 -0.71814300   -3.43008100   -0.91265300
 C                  2.33473000   -3.33653200    1.92984200
 H                  3.18835000   -3.18095000    1.27999100
 C                  4.98816600    0.01119700   -1.11439700
 C                  2.09058600   -3.34836900   -1.27950500
 C                 -1.35071800    0.06682000   -0.66314900
 H                 -1.65562200    0.13135300   -1.69975600
 C                  0.98898200    3.08761400    1.55449200
 C                 -4.23215900    0.81545700   -2.63006400
 H                 -3.75804900    1.73028600   -2.29085700
 C                 -1.37392100   -2.95737000   -2.05937100
 H                 -1.07190100   -2.01653000   -2.50559800
 C                 -0.12957900    3.23117000    2.39014400
 H                 -1.12690500    3.08520600    1.99147700
 C                 -4.81096500   -1.36976200    1.01787600
 C                  2.46492900   -4.66675400   -0.96443600
 H                  2.05942300   -5.15993800   -0.08810700
 C                 -1.18619000    3.12968600   -2.11474200
 H                 -0.84363700    2.22518700   -2.60658200
 C                 -0.64453600    3.50220800   -0.87428300
 C                 -0.04949000   -3.32572900    2.32021900
 H                 -1.06478800   -3.15803500    1.97914000
 C                  6.61604900    0.01881000   -2.79615400
 H                  7.00022400    0.02314000   -3.80941400
 C                 -1.06827300    4.70180100   -0.28101200
 H                 -0.64383900    5.03335300    0.65906700
 C                 -1.08987800   -4.67707200   -0.38207400
 H                 -0.58466400   -5.07979500    0.48789100
 C                 -5.96732600   -1.18970600    1.78944100
 H                 -6.45472700   -0.22212800    1.83420200
 C                  5.23431200    0.01694000   -2.47266400
 H                  4.43436000    0.01963700   -3.20201700
 C                 -5.16592200   -1.38293100   -2.16884500
 H                 -5.40764600   -2.17951100   -1.47501300
 C                  0.02632100    3.56862300    3.73555600
 H                 -0.85113000    3.68541200    4.36467200
 C                  2.72735000   -0.12514800    6.19244000
 H                  2.01347900   -0.18122100    7.01347200
 H                  3.32315900    0.78753000    6.26650800
 H                  3.39459000   -0.99004000    6.20732800
 C                 -4.18114400   -2.62542200    0.97063500
 H                 -3.28429900   -2.77253300    0.37709900
 C                  2.26855500    3.26394900    2.10345600
 H                  3.14999100    3.13742700    1.48536600
 C                 -4.83569200    3.56095700    1.97791100
 H                 -4.33915300    4.18210300    2.71641800
 C                 -5.19521100   -0.49569200   -4.42068100
 H                 -5.45626300   -0.60353100   -5.46886700
 C                 -4.56224300    0.66847200   -3.97617800
 H                 -4.33173400    1.46572000   -4.67553900
 C                  1.30321100    3.75370200    4.26938400
 H                  1.42416400    4.01739700    5.31575600
 C                 -2.39050100   -3.70940200   -2.65284900
 H                 -2.88618400   -3.32884800   -3.54032100
 C                  3.36422100   -5.35920800   -1.77419800
 H                  3.64770400   -6.37463000   -1.51328900
 C                 -2.76727700   -4.93887200   -2.11003000
 H                 -3.55847800   -5.52179000   -2.57217400
 C                 -4.71657300   -3.69315800    1.68995200
 H                 -4.23193600   -4.66317100    1.64648300
 C                  2.61351200   -2.74938500   -2.43353700
 H                  2.31822100   -1.74303200   -2.69899700
 C                 -2.11269700   -5.42090000   -0.97457900
 H                 -2.38850400   -6.38204900   -0.55064500
 C                 -6.49086100   -2.26401900    2.51055000
 H                 -7.38363200   -2.12201800    3.11108600
 C                 -2.03662700    5.49512300   -0.90076100
 H                 -2.35756900    6.41608200   -0.42304500
 C                 -5.49947300   -1.51586300   -3.51787700
 H                 -5.99972000   -2.41658700   -3.85895300
 C                 -5.86861000   -3.51288200    2.46058300
 H                 -6.27956900   -4.34567900    3.02287800
 C                  3.89260600   -4.75175000   -2.91629300
 H                  4.59246300   -5.29222200   -3.54692600
 C                  3.51123800   -3.45103300   -3.24368200
 H                  3.91094200   -2.97306500   -4.13330400
 C                  2.54803400   -3.73053700    3.25226200
 H                  3.56276000   -3.88161000    3.60780300
 C                 -2.13974300    3.93736300   -2.73890000
 H                 -2.53292200    3.64759600   -3.70920700
 C                 -6.07559200    3.94068100    1.45944300
 H                 -6.54558100    4.85944200    1.79622900
 C                  2.42289900    3.59791800    3.45042900
 H                  3.42076200    3.73334800    3.85626400
 C                  0.16610200   -3.72390300    3.64081000
 H                 -0.68338300   -3.87195500    4.30098000
 C                 -2.57564700    5.11649300   -2.13067700
 H                 -3.31967800    5.74031700   -2.61695900
 C                 -6.10741400    1.96401600    0.06475800
 H                 -6.60250000    1.35564500   -0.68478800
 C                 -6.71004200    3.14235100    0.50480800
 H                 -7.67174700    3.43692800    0.09713300
 C                  1.46492000   -3.92808600    4.11047600
 H                  1.63139800   -4.23885400    5.13753400
 C                  2.67850200    2.81992100   -2.30520600
 H                  2.35524800    1.83767400   -2.62475200
 C                  3.60642000    3.53320600   -3.06952300
 H                  4.00123900    3.08920500   -3.97866000
 C                  4.02431900    4.80290900   -2.67161300
 H                  4.74798700    5.35226100   -3.26665900
 C                  3.50068900    5.36859700   -1.50627100
 H                  3.81076900    6.36093400   -1.19223900
 C                  2.57024500    4.66511000   -0.74224700
 H                  2.16409100    5.12851000    0.15000800
 C                  2.16214700    3.37575700   -1.12648000
 C                  7.42286600    0.01446800   -1.68588100
 H                  8.50317200    0.01465000   -1.64203800
140
9 scf done: -3187.48095553
 Os                 0.09714100    0.01292500   -0.17489800
 Cl                 0.10054500    0.08187500   -2.78048400
 P                  0.12094000   -2.49567100   -0.17975100
 S                  5.86125000   -0.03879100    0.48010700
 P                 -4.71682700    0.05417900   -0.29452100
 O                  2.83821300   -0.19694600    4.21040400
 O                  2.11447600    0.00701700   -0.88646500
 C                  0.21677700   -3.17884300    1.54647100
 C                 -4.97227200   -0.16972800   -2.08984300
 O                  0.81899100   -0.19670900    5.21095800
 C                 -1.13929900   -0.06311000    1.58424400
 C                 -5.52555800    1.62885200    0.17879600
 C                 -5.02270800    2.39810700    1.23873700
 H                 -4.13226500    2.08453900    1.77164200
 C                 -2.50907600   -0.05430900    1.49861200
 H                 -3.15271500   -0.12543900    2.37174400
 P                  0.21061300    2.50424400   -0.01680500
 C                  2.74417000   -0.07708400    1.30926000
 H                  3.45649000   -0.12014900    2.12301800
 C                  1.37284400   -0.06658500    1.53951200
 C                  1.62045100   -0.17328500    4.12093300
 C                 -2.95905200    0.04505100    0.14889100
 C                 -0.53896300   -0.12336400    2.86276800
 H                 -1.13820300   -0.16793800    3.76674600
 C                  3.09185200   -0.03235000   -0.04245400
 C                  0.82806300   -0.11758500    2.86772300
 C                 -1.31492800   -3.39632200   -0.96672100
 C                  1.46570200   -3.41913700    2.14024400
 H                  2.37736400   -3.27334900    1.57217700
 C                  4.44169600   -0.02357700   -0.57045300
 C                  1.51798800   -3.35850500   -1.07268200
 C                 -1.90975600    0.09440700   -0.73049400
 H                 -2.10933100    0.16819100   -1.79148400
 C                  0.30937300    3.05038600    1.75530500
 C                 -4.52729400    0.83125400   -2.97016100
 H                 -4.03535100    1.72105100   -2.59158700
 C                 -1.85229600   -2.89179100   -2.16039000
 H                 -1.49047600   -1.95071900   -2.55966400
 C                 -0.85143800    3.18695400    2.53281100
 H                 -1.82765300    3.04933500    2.08266400
 C                 -5.52086000   -1.31529500    0.61607400
 C                  1.83145000   -4.69367800   -0.76168300
 H                  1.32860400   -5.20153300    0.05384300
 C                 -1.59007100    3.18289200   -2.06733900
 H                 -1.19023800    2.29954900   -2.55508600
 C                 -1.16814900    3.51566700   -0.77024600
 C                 -0.94271500   -3.35401200    2.31848800
 H                 -1.91954300   -3.15287700    1.89363200
 C                  6.21860400   -0.00237000   -2.09067300
 H                  6.68785600    0.00061200   -3.06791300
 C                 -1.65890700    4.68807600   -0.17597100
 H                 -1.32521900    4.99020000    0.80942200
 C                 -1.75882600   -4.64278300   -0.49406000
 H                 -1.34290600   -5.06992300    0.41084700
 C                 -6.74179800   -1.12709100    1.27836900
 H                 -7.22566900   -0.15672900    1.27712500
 C                  4.82106800    0.00138300   -1.89889300
 H                  4.09699200    0.01425800   -2.70351000
 C                 -5.63431100   -1.30107400   -2.58663700
 H                 -5.98963400   -2.07261600   -1.91360400
 C                 -0.76519600    3.50431700    3.88946100
 H                 -1.67439000    3.61637000    4.47265900
 C                  1.49401800   -0.25693700    6.47931300
 H                  0.70505200   -0.26203200    7.23055000
 H                  2.14202200    0.61242500    6.61230200
 H                  2.09562900   -1.16598800    6.55208300
 C                 -4.89738300   -2.57479800    0.62570000
 H                 -3.95239000   -2.72682400    0.11380200
 C                  1.55856100    3.21073200    2.37475300
 H                  2.47080700    3.08992300    1.80200000
 C                 -5.67167700    3.57561000    1.60974800
 H                 -5.27743900    4.17074700    2.42717700
 C                 -5.38599600   -0.44543900   -4.83715200
 H                 -5.54723500   -0.55252800   -5.90533200
 C                 -4.72955800    0.68466000   -4.34134800
 H                 -4.38031200    1.45506400   -5.02136300
 C                  0.48208900    3.67381600    4.49346800
 H                  0.54836500    3.92154200    5.54859600
 C                 -2.82619300   -3.61160000   -2.85653200
 H                 -3.23085200   -3.20685500   -3.77876400
 C                  2.79460300   -5.38296600   -1.49715900
 H                  3.02987800   -6.41172900   -1.24073500
 C                 -3.27717800   -4.84013100   -2.37097400
 H                 -4.03546200   -5.39764400   -2.91276000
 C                 -5.50162800   -3.63817600    1.29497100
 H                 -5.02084000   -4.61107300    1.29634200
 C                  2.16773100   -2.73814900   -2.14787300
 H                  1.91953700   -1.71780400   -2.40777200
 C                 -2.73890100   -5.35427200   -1.18948300
 H                 -3.07234600   -6.31527400   -0.80887000
 C                 -7.33500100   -2.19747000    1.94977500
 H                 -8.27799400   -2.04981900    2.46632200
 C                 -2.57814700    5.49342700   -0.85321800
 H                 -2.95276300    6.39343200   -0.37464100
 C                 -5.84114700   -1.43218500   -3.96107000
 H                 -6.35933200   -2.30586100   -4.34321700
 C                 -6.71769000   -3.44973200    1.95805700
 H                 -7.18276500   -4.27918800    2.48183100
 C                  3.44905100   -4.75460600   -2.56008000
 H                  4.19897300   -5.29249900   -3.13271100
 C                  3.12947400   -3.43650500   -2.88409500
 H                  3.62795900   -2.94292300   -3.71329100
 C                  1.55128900   -3.84549500    3.46705500
 H                  2.52655900   -4.02950500    3.90735400
 C                 -2.49419500    4.00221300   -2.74679000
 H                 -2.79525600    3.74458100   -3.75827200
 C                 -6.82057900    3.98748000    0.93049500
 H                 -7.32146300    4.90587100    1.22059400
 C                  1.64301100    3.52230000    3.73310400
 H                  2.61867000    3.64515900    4.19333700
 C                 -0.85497000   -3.78553900    3.64318900
 H                 -1.76303300   -3.92498600    4.22229200
 C                 -2.99904400    5.15415800   -2.13904400
 H                 -3.70447100    5.78760100   -2.66845400
 C                 -6.68085900    2.04395500   -0.50347300
 H                 -7.07357000    1.46003300   -1.32901300
 C                 -7.32458600    3.22153700   -0.12306100
 H                 -8.21576100    3.54064100   -0.65390800
 C                  0.39160100   -4.03357100    4.22114200
 H                  0.45829100   -4.37032800    5.25133400
 C                  2.26501800    2.81747600   -1.96497800
 H                  1.97450900    1.83233100   -2.30528000
 C                  3.24958500    3.53467800   -2.65111500
 H                  3.72388800    3.09017700   -3.52119100
 C                  3.62254500    4.80920800   -2.22546600
 H                  4.39029100    5.36164300   -2.75930700
 C                  2.99723000    5.37626600   -1.11179600
 H                  3.27216400    6.37238300   -0.77766300
 C                  2.01088400    4.66866800   -0.42599000
 H                  1.52712200    5.13179100    0.42707800
 C                  1.64664000    3.37437400   -0.83771800
 C                  6.94457700   -0.02855700   -0.91070200
 C                  8.37965900   -0.03924500   -0.73126700
 C                  9.11109400   -0.28394100    0.41322900
 S                  9.46655200    0.29952700   -2.08776400
 C                 10.51838900   -0.20909500    0.22058100
 H                  8.65138800   -0.52426300    1.36569200
 C                 10.86768700    0.09171500   -1.06838000
 H                 11.24210700   -0.37754800    1.00950100
 H                 11.85580100    0.20636900   -1.49124400
147
10 scf done: -3351.22581226
 Os                -0.67469400   -0.00134300   -0.24915100
 P                 -0.57956200    2.48783900   -0.08437800
 P                 -0.62952800   -2.51061500   -0.27859100
 O                  1.29565700    0.01017300   -1.07886700
 C                 -2.71191000    0.09546500   -0.67944300
 H                 -2.97577300    0.21302200   -1.72270700
 O                  2.32248600   -0.13353900    3.96990300
 O                  0.36780000   -0.27783200    5.08166800
 C                  1.10244700   -0.18255600    3.94916400
 Cl                -0.83051100    0.07127700   -2.84634200
 P                 -5.48630900    0.05163400   -0.07170000
 C                  3.63784900    0.03576500   -0.89966300
 C                  2.32256100   -0.00164700   -0.29409800
 C                  0.70130600   -0.06638600    1.38706100
 C                  2.05626400   -0.04752900    1.07643300
 H                  2.81698000   -0.07672900    1.84596900
 C                 -3.70543900    0.00840100    0.25966300
 C                 -2.46677100    4.65997400   -0.16334500
 H                 -2.10677800    4.95076100    0.81612500
 C                 -5.85863100   -0.11511200   -1.85258100
 C                 -6.25348900   -1.33511800    0.84504600
 C                  1.11729400   -0.32018000    6.30822000
 H                  1.78024100   -1.18838000    6.32408300
 H                  0.37498200   -0.39369700    7.10221200
 H                  1.71386100    0.58736000    6.42633900
 C                 -2.44207300    3.18140500   -2.07667800
 H                 -2.05326200    2.30659400   -2.58799500
 C                  0.23733900   -0.14477600    2.74454300
 C                 -5.50430400    0.92816500   -2.72473300
 H                 -5.01644800    1.82155600   -2.34948900
 C                  1.21413600    4.65437600   -0.52787800
 H                  0.77667900    5.10163300    0.35791500
 C                  0.82274500    3.37090200   -0.94766000
 C                 -6.51223600   -1.25336200   -2.34519400
 H                 -6.79803500   -2.05785100   -1.67773200
 C                  1.03127900   -4.70105400   -1.00147600
 H                  0.57529800   -5.21939400   -0.16519100
 C                 -1.80190800   -0.12931900    1.57855100
 C                 -0.43697900    3.01909800    1.68871500
 C                 -1.98592100    3.49876900   -0.78734100
 C                  0.89186400   -3.43266800    1.92821400
 H                  1.75670500   -3.27233400    1.29456600
 C                 -7.42727300    2.07642200   -0.08808600
 H                 -7.88071200    1.52626700   -0.90567900
 C                  0.82426200    3.19314300    2.27907900
 H                  1.72422500    3.09203700    1.68351400
 C                 -3.17412900   -0.13398100    1.57579000
 H                 -3.76357500   -0.23478300    2.48371500
 C                  1.29750500   -2.72517400   -2.37348000
 H                  1.04153300   -1.69964800   -2.60349100
 C                 -5.63166900   -2.59493200    0.80800800
 H                 -4.70605700   -2.73819200    0.25952800
 C                 -7.44918100   -1.15917300    1.55540800
 H                 -7.93161200   -0.18871900    1.59058800
 C                 -2.73387600   -2.90241000   -2.11679200
 H                 -2.40229400   -1.95806500   -2.53378400
 C                 -2.11372400   -3.41299700   -0.96657300
 C                 -1.58061700    3.12682500    2.49561000
 H                 -2.56461800    2.97772300    2.06602100
 C                 -6.23640000    1.62253700    0.50229100
 C                 -1.12641700   -0.19731500    2.81870700
 H                 -1.67037000   -0.27411300    3.75486900
 C                  0.93647300    3.49172700    3.63845200
 H                  1.92087200    3.62581900    4.07636000
 C                  0.70674400   -3.35975600   -1.27284200
 C                  1.37799200    2.83683500   -2.11848900
 H                  1.06626600    1.85990300   -2.46463600
 C                 -0.40076900   -3.20711200    1.42981300
 S                  5.11480800    0.09141800    0.06601000
 C                 -3.36962000    4.00449600   -2.71907500
 H                 -3.69692400    3.75758400   -3.72506300
 C                  2.32854600    3.56512800   -2.83964800
 H                  2.75398100    3.13810000   -3.74309500
 C                 -1.49759600   -3.40430600    2.28369900
 H                 -2.50561800   -3.21588900    1.93229600
 C                 -3.86420500    5.14470500   -2.08143400
 H                 -4.58794100    5.78096300   -2.58201700
 C                  5.32296500    0.08427200   -2.52261800
 H                  5.73614500    0.07266300   -3.52409000
 C                 -6.80174600   -1.34851200   -3.70744500
 H                 -7.31305300   -2.22793200   -4.08568100
 C                 -3.75207000   -3.62005600   -2.74868600
 H                 -4.22025000   -3.21024500   -3.63808800
 C                 -0.20781600    3.61457800    4.42849400
 H                 -0.11980700    3.85146500    5.48452200
 C                 -4.16601900   -4.85266200   -2.24089400
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 C                 -0.01699300   -4.07021200    4.07979400
 H                  0.13061100   -4.40940100    5.10072600
 C                  6.11621700    0.11200600   -1.38344300
 C                 -5.79150400    0.81895000   -4.08428800
 H                 -5.51534800    1.62410500   -4.75755500
 C                 -5.65469300    2.34843000    1.55267000
 H                 -4.73565700    2.00825700    2.01640500
 C                  3.94137200    0.04731100   -2.24895500
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 C                 -7.40329600   -3.49437600    2.18903000
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 C                 -8.01890200   -2.24169800    2.22731600
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 C                 -1.30629700   -3.83993600    3.59622800
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 C                 -1.46671800    3.43010100    3.85331600
 H                 -2.36298900    3.51975900    4.45997300
 C                  2.73013100    4.82840000   -2.40605200
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 C                 -6.21270800   -3.67062300    1.47852800
 H                 -5.73355100   -4.64369400    1.44372100
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 C                  2.54147200   -4.74097900   -2.89142800
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 C                 -3.40949900    5.46868800   -0.80306000
 H                 -3.77618200    6.35935400   -0.30144000
 C                 -6.43935400   -0.31766600   -4.57608300
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 H                 -8.94657800    3.59652000   -0.08682300
 C                 -2.52258700   -4.66276100   -0.47136900
 H                 -2.04554500   -5.09443200    0.40060000
 C                 -3.54693600   -5.37234500   -1.10220600
 H                 -3.85182100   -6.33617900   -0.70512600
 C                 -6.26154400    3.51939100    2.00609600
 H                 -5.80681100    4.08009600    2.81642000
 C                 -7.44605900    3.96941900    1.41836900
 H                 -7.91399100    4.88264300    1.77265600
 S                  8.45029000   -0.21143400    0.16003600
 S                 12.79424000   -0.00373600   -0.73152600
 C                  8.43504300    0.51717300   -2.32867000
 H                  8.10471300    0.80815700   -3.31888100
 C                  7.55735700    0.17265900   -1.31766700
 C                 11.23747100    0.01791500    0.11334600
 C                  9.99759300    0.13508200   -0.62173400
 C                  9.79433900    0.49402800   -1.94062800
 H                 10.60672900    0.75845500   -2.60820100
 C                 13.65846000   -0.14565600    0.77983400
 H                 14.73830700   -0.19152600    0.77407600
 C                 11.43558300   -0.09067000    1.47459300
 H                 10.62028700   -0.08808300    2.18991000
 C                 12.80563600   -0.18336000    1.84912500
 H                 13.14235600   -0.26811800    2.87588300








