50
L1-S0
 P                 -1.47527500   -0.95976000   -0.61126500 
 C                 -1.03226600    0.75361500    0.00351500 
 C                 -1.98893400    1.66909300    0.44394300 
 C                 -1.66451200    2.95406400    0.87349900 
 C                 -0.33309900    3.34765800    0.87991000 
 C                  0.64587100    2.45252100    0.46567900 
 C                  0.34320900    1.15370500    0.02095300 
 F                 -3.29560700    1.35057500    0.50338700 
 F                 -2.61463700    3.79526200    1.28984800 
 F                  0.00202100    4.57484600    1.28656900 
 F                  1.91204000    2.90749200    0.49404400 
 C                  1.39471500    0.23972900   -0.43422100 
 C                  2.72298600    0.30319300   -0.20659800 
 H                  1.05520500   -0.61171800   -1.01855800 
 H                  3.16077600    1.08546400    0.39562000 
 C                  3.60611300   -0.76036500   -0.75971700 
 O                  3.13635100   -1.72822400   -1.35424700 
 C                  5.09039500   -0.64483700   -0.56797000 
 C                  5.72728000    0.51935000   -0.10891800 
 C                  7.11525700    0.55856000    0.02899300 
 C                  7.88236700   -0.56512300   -0.28271300 
 C                  7.25808000   -1.72870200   -0.74410500 
 C                  5.87518500   -1.76512200   -0.89024600 
 H                  5.15321300    1.40998300    0.12392000 
 H                  7.59656100    1.46776500    0.37868400 
 H                  8.96287400   -0.53430100   -0.16981400 
 H                  7.85266500   -2.60422200   -0.99069300 
 H                  5.37060500   -2.65365500   -1.25489900 
 C                 -1.83817500   -1.87800800    0.95290100  
 C                 -2.69048200   -1.43400700    1.97995300 
 C                 -2.87803100   -2.20753600    3.12494100 
 C                 -2.22090600   -3.43390900    3.26339000 
 C                 -1.37373100   -3.88532200    2.25179600 
 C                 -1.18263300   -3.11055300    1.10492600 
 H                 -3.21267200   -0.48907900    1.88125600 
 H                 -3.53916700   -1.85279700    3.91139800 
 H                 -2.36954900   -4.03260400    4.15817500 
 H                 -0.85797300   -4.83635300    2.35311400 
 H                 -0.51494300   -3.46047900    0.32200300 
 C                 -3.11384500   -0.70749200   -1.42304000 
 C                 -4.24190400   -1.48095000   -1.11540900 
 C                 -5.41665600   -1.34927700   -1.85988900 
 C                 -5.48350900   -0.44467200   -2.91956600 
 C                 -4.36064200    0.32208800   -3.24174900 
 C                 -3.18357600    0.18234300   -2.50887300 
 H                 -4.21077800   -2.18342700   -0.28864400 
 H                 -6.28282500   -1.95422200   -1.60415500 
 H                 -6.39962700   -0.34120300   -3.49464600 
 H                 -4.39880200    1.02489100   -4.07000100 
 H                 -2.31294100    0.77430900   -2.78275200 
50
L1-S1
 P                 -1.56959300   -1.05105100   -0.51757800
 C                 -0.97751700    0.51583200    0.29609500
 C                 -1.83119000    1.43623600    0.89351500
 C                 -1.38820700    2.61896500    1.49044900
 C                 -0.02446300    2.90803700    1.48992700
 C                  0.86090300    2.01873300    0.90971300
 C                  0.43828500    0.82816200    0.25683400
 F                 -3.15651900    1.20714100    0.97765000
 F                 -2.25042600    3.45141500    2.08407000
 F                  0.41861700    4.02630000    2.07310300
 F                  2.17100300    2.33567300    0.94843500
 C                  1.37298000    0.00928000   -0.42533500
 C                  2.81418900    0.30494200   -0.66463400
 H                  0.99402600   -0.89499100   -0.89098000
 H                  3.09339000    1.27473300   -1.06467100
 C                  3.81067700   -0.69662900   -0.36530300
 O                  3.43263900   -1.81850700    0.03575000
 C                  5.27321800   -0.42279900   -0.56155400
 C                  5.76993800    0.70315100   -1.23564400
 C                  7.14460100    0.88819600   -1.38721500
 C                  8.04000700   -0.04796200   -0.86726900
 C                  7.55452800   -1.17714700   -0.20143200
 C                  6.18295200   -1.36367900   -0.05315800
 H                  5.09430000    1.43412100   -1.66909900
 H                  7.51439400    1.76159000   -1.91735100
 H                  9.11034600    0.09805700   -0.98568700
 H                  8.24648000   -1.91307800    0.19911100
 H                  5.78859400   -2.24026000    0.44979900
 C                 -2.08985800   -2.11702300    0.90408400
 C                 -2.83203400   -1.68637000    2.01868300
 C                 -3.16543300   -2.58065200    3.03545100
 C                 -2.76981200   -3.91912900    2.95564300
 C                 -2.03854000   -4.36033200    1.85380200
 C                 -1.69710600   -3.46372400    0.83855500
 H                 -3.16610300   -0.65864400    2.08464800
 H                 -3.73968200   -2.23246500    3.89010800
 H                 -3.03169300   -4.61256000    3.75051900
 H                 -1.72604200   -5.39881000    1.78522900
 H                 -1.11540900   -3.80938400   -0.01187100
 C                 -3.14038700   -0.56788000   -1.35522600
 C                 -4.32977700   -1.29257200   -1.19269100
 C                 -5.46350300   -0.97183200   -1.94300300
 C                 -5.42789100    0.07656100   -2.86283600
 C                 -4.24462100    0.79889600   -3.03774200
 C                 -3.10843300    0.47223000   -2.29965500
 H                 -4.37780600   -2.10199200   -0.47098000
 H                 -6.37879200   -1.54041700   -1.79956700
 H                 -6.31246300    0.32745900   -3.44187800
 H                 -4.20476300    1.61550000   -3.75404700
 H                 -2.19192700    1.03727100   -2.45503500
50
L1-T1
 P                 -1.74558900   -0.75412800   -0.92790900
 C                 -0.98784500    0.64304600    0.04630100
 C                 -1.72162400    1.49107800    0.86533100
 C                 -1.14768900    2.53534600    1.59680000
 C                  0.22782700    2.74736800    1.51422500
 C                  0.99728900    1.92710200    0.70987000
 C                  0.44086800    0.86526900   -0.05743000
 F                 -3.05198000    1.34390500    1.01829700
 F                 -1.90132900    3.31803800    2.37480600
 F                  0.79078000    3.73980100    2.20939000
 F                  2.31604200    2.18329600    0.65145400
 C                  1.26629100    0.07642300   -0.89004500
 C                  2.71478900    0.18571800   -1.05004200
 H                  0.76592900   -0.68742500   -1.48475300
 H                  3.10670400    0.89554700   -1.77588000
 C                  3.62247100   -0.64095800   -0.28025400
 O                  3.17155400   -1.39600700    0.59793900
 C                  5.10232300   -0.56956800   -0.53015600
 C                  5.67897800    0.09038400   -1.62676000
 C                  7.06362900    0.10578700   -1.79689400
 C                  7.89054700   -0.53494300   -0.87255900
 C                  7.32594000   -1.19871800    0.22073600
 C                  5.94415900   -1.21855900    0.38740100
 H                  5.05686700    0.58365900   -2.36714900
 H                  7.49542700    0.61681500   -2.65313700
 H                  8.96914300   -0.51953600   -1.00464000
 H                  7.96507900   -1.70113400    0.94187200
 H                  5.48618900   -1.73318300    1.22545700
 C                 -2.14724400   -2.02028600    0.35962200
 C                 -2.89097700   -1.78711600    1.53063100
 C                 -3.12205000   -2.82120000    2.43704400
 C                 -2.61679300   -4.10154000    2.19207900
 C                 -1.87862100   -4.34582800    1.03469000
 C                 -1.64558900   -3.31070600    0.12592100
 H                 -3.29195500   -0.80075900    1.73250100
 H                 -3.69726900   -2.62682100    3.33856600
 H                 -2.79766800   -4.90320800    2.90323300
 H                 -1.48008800   -5.33739200    0.83813600
 H                 -1.06505900   -3.50352700   -0.77234500
 C                 -3.37395600   -0.06711800   -1.45895500
 C                 -4.56898100   -0.78833600   -1.32444700
 C                 -5.75898500   -0.29888300   -1.86848800
 C                 -5.77481100    0.91490900   -2.55548900
 C                 -4.58681000    1.63499200   -2.70587000
 C                 -3.39679500    1.14356000   -2.17241500
 H                 -4.57751600   -1.73083800   -0.78604600
 H                 -6.67650500   -0.86917200   -1.74789500
 H                 -6.70232600    1.29581400   -2.97416500
 H                 -4.58572000    2.58004700   -3.24287700
 H                 -2.47948600    1.71239500   -2.30638300
103
1L1-S0
 Pd                 0.00000000    0.00000000    0.00000000
 Cl                -1.23083800    1.57870800    1.27944100
 Cl                 1.23083800   -1.57870800   -1.27944100
 P                  0.29978600    1.71102900   -1.66854400
 C                  1.40925400    1.17466000   -3.06435800
 C                  0.92348100    0.88221600   -4.33694700
 C                  1.76307300    0.49420400   -5.38431600
 C                  3.12613200    0.38870700   -5.16364700
 C                  3.63324700    0.66367500   -3.89649400
 C                  2.81353300    1.03841000   -2.82570400
 F                 -0.37895300    0.95909100   -4.64390700
 F                  1.25388700    0.23976100   -6.59204100
 F                  3.94515600    0.02266200   -6.15267700
 F                  4.96035000    0.51407800   -3.74109500
 C                  3.37168400    1.20623700   -1.48000000
 C                  4.62720100    1.55794500   -1.13958900
 H                  2.69542800    1.00011400   -0.65581400
 H                  5.36882600    1.80076800   -1.88750500
 C                  4.99530200    1.66254700    0.29556200
 O                  4.15619500    1.51305600    1.18515100
 C                  6.41678500    1.97667900    0.65436600
 C                  7.48576400    1.83847000   -0.24555600
 C                  8.79013300    2.12536500    0.15810600
 C                  9.04017500    2.56371200    1.45968100
 C                  7.98227600    2.70301900    2.36405900
 C                  6.68289000    2.40480900    1.96604600
 H                  7.31396400    1.48020300   -1.25528500
 H                  9.61055800    2.00454600   -0.54386300
 H                 10.05600500    2.79348500    1.77019800
 H                  8.17430900    3.04262600    3.37826500
 H                  5.84935600    2.49925300    2.65426800
 C                  1.08608600    3.31499200   -1.20648000
 C                  1.56866000    4.17637400   -2.20904700
 C                  2.15532800    5.39492000   -1.87143700
 C                  2.27930700    5.76343200   -0.52952200
 C                  1.81399100    4.90872100    0.46931500
 C                  1.21936200    3.68935000    0.13772700
 H                  1.49766700    3.89294500   -3.25509100
 H                  2.52150600    6.05148400   -2.65610500
 H                  2.74256300    6.71056400   -0.26623300
 H                  1.91433600    5.18401800    1.51531500
 H                  0.85161900    3.03617200    0.91963900
 C                 -1.35634200    2.12382400   -2.34665400
 C                 -1.68078800    3.39819600   -2.83199000
 C                 -2.96599700    3.65631900   -3.31072000
 C                 -3.93457400    2.65105800   -3.30437000
 C                 -3.62013000    1.38401600   -2.80881300
 C                 -2.33937300    1.12261000   -2.32609300
 H                 -0.94468500    4.19450400   -2.82725300
 H                 -3.20958400    4.64819900   -3.68200500
 H                 -4.93545500    2.85886000   -3.67365100
 H                 -4.36354600    0.59389900   -2.77630600
 H                 -2.11758000    0.13841300   -1.92560800
 P                 -0.29978600   -1.71102900    1.66854400
 C                 -1.40925400   -1.17466000    3.06435800
 C                 -0.92348100   -0.88221600    4.33694700
 C                 -1.76307300   -0.49420400    5.38431600
 C                 -3.12613200   -0.38870700    5.16364700
 C                 -3.63324700   -0.66367500    3.89649400
 C                 -2.81353300   -1.03841000    2.82570400
 F                  0.37895300   -0.95909100    4.64390700
 F                 -1.25388700   -0.23976100    6.59204100
 F                 -3.94515600   -0.02266200    6.15267700
 F                 -4.96035000   -0.51407800    3.74109500
 C                 -3.37168400   -1.20623700    1.48000000
 C                 -4.62720100   -1.55794500    1.13958900
 H                 -2.69542800   -1.00011400    0.65581400
 H                 -5.36882600   -1.80076800    1.88750500
 C                 -4.99530200   -1.66254700   -0.29556200
 O                 -4.15619500   -1.51305600   -1.18515100
 C                 -6.41678500   -1.97667900   -0.65436600
 C                 -7.48576400   -1.83847000    0.24555600
 C                 -8.79013300   -2.12536500   -0.15810600
 C                 -9.04017500   -2.56371200   -1.45968100
 C                 -7.98227600   -2.70301900   -2.36405900
 C                 -6.68289000   -2.40480900   -1.96604600
 H                 -7.31396400   -1.48020300    1.25528500
 H                 -9.61055800   -2.00454600    0.54386300
 H                -10.05600500   -2.79348500   -1.77019800
 H                 -8.17430900   -3.04262600   -3.37826500
 H                 -5.84935600   -2.49925300   -2.65426800
 C                 -1.08608600   -3.31499200    1.20648000
 C                 -1.21936200   -3.68935000   -0.13772700
 C                 -1.81399100   -4.90872100   -0.46931500
 C                 -2.27930700   -5.76343200    0.52952200
 C                 -2.15532800   -5.39492000    1.87143700
 C                 -1.56866000   -4.17637400    2.20904700
 H                 -0.85161900   -3.03617200   -0.91963900
 H                 -1.91433600   -5.18401800   -1.51531500
 H                 -2.74256300   -6.71056400    0.26623300
 H                 -2.52150600   -6.05148400    2.65610500
 H                 -1.49766700   -3.89294500    3.25509100
 C                  1.35634200   -2.12382400    2.34665400
 C                  2.33937300   -1.12261000    2.32609300
 C                  3.62013000   -1.38401600    2.80881300
 C                  3.93457400   -2.65105800    3.30437000
 C                  2.96599700   -3.65631900    3.31072000
 C                  1.68078800   -3.39819600    2.83199000
 H                  2.11758000   -0.13841300    1.92560800
 H                  4.36354600   -0.59389900    2.77630600
 H                  4.93545500   -2.85886000    3.67365100
 H                  3.20958400   -4.64819900    3.68200500
 H                  0.94468500   -4.19450400    2.82725300
103
1L1-S1
 Pd                 0.54432200   -1.40784000   -0.15015700
 Cl                 2.22139600   -0.54612400    1.42835800
 Cl                 1.48809800   -3.19327800   -1.52974900
 P                  0.85032700    0.40682400   -1.88431200
 C                  2.50270400    0.27627800   -2.72073600
 C                  2.63222100   -0.63991300   -3.76893800
 C                  3.83032800   -0.83084900   -4.45548700
 C                  4.94826100   -0.10437600   -4.07891500
 C                  4.85369100    0.79041100   -3.01698700
 C                  3.66534300    0.99171800   -2.29916800
 F                  1.59579000   -1.37699600   -4.18622800
 F                  3.89724100   -1.69830600   -5.46766100
 F                  6.10872200   -0.27112300   -4.71837700
 F                  5.98892600    1.42748700   -2.67923700
 C                  3.69471700    1.83033100   -1.08789900
 C                  4.41868900    2.95350200   -0.92281800
 H                  3.12099700    1.47568600   -0.23609600
 H                  5.00694200    3.36073200   -1.73504100
 C                  4.39051500    3.68489400    0.37250200
 O                  3.60602500    3.37238600    1.26417500
 C                  5.33530000    4.83554800    0.57050900
 C                  6.44483800    5.07504600   -0.25556000
 C                  7.29622700    6.15096500   -0.00049700
 C                  7.04438400    7.00365100    1.07558000
 C                  5.94423300    6.77015700    1.90729400
 C                  5.10177500    5.69094200    1.65993800
 H                  6.66923500    4.41032900   -1.08345800
 H                  8.15743700    6.32071500   -0.64096000
 H                  7.70523700    7.84450400    1.26930600
 H                  5.74907000    7.42910400    2.74917300
 H                  4.25018000    5.48231000    2.29909600
 C                  0.67715800    2.15483200   -1.30945400
 C                  0.60073700    3.21905200   -2.22395600
 C                  0.40272200    4.52138700   -1.77212100
 C                  0.26697300    4.77727200   -0.40420100
 C                  0.33841200    3.72673400    0.50847300
 C                  0.54185600    2.41926100    0.06088900
 H                  0.68565700    3.03325000   -3.28950100
 H                  0.34884700    5.33696100   -2.48836400
 H                  0.11098100    5.79432900   -0.05457000
 H                  0.25407200    3.91816500    1.57388300
 H                  0.63764500    1.61464200    0.78253200
 C                 -0.41873100    0.34874900   -3.21931900
 C                 -0.21113300    0.81164100   -4.52851300
 C                 -1.25976400    0.81807800   -5.44665400
 C                 -2.52880100    0.36932900   -5.06955000
 C                 -2.74352200   -0.08890900   -3.77039400
 C                 -1.69234800   -0.10443700   -2.85138600
 H                  0.77020900    1.15688100   -4.84040900
 H                 -1.08414400    1.17161400   -6.45918600
 H                 -3.34324000    0.37669700   -5.78906900
 H                 -3.72093900   -0.43728100   -3.45217300
 H                 -1.88758300   -0.46630700   -1.84628100
 P                 -0.30878600   -3.03693400    1.56325000
 C                 -0.79739200   -2.08593400    3.08826200
 C                 -0.05962200   -2.18368500    4.27002700
 C                 -0.33877000   -1.40422000    5.39492400
 C                 -1.38039200   -0.49199200    5.35435900
 C                 -2.13126700   -0.37297100    4.18981400
 C                 -1.87169300   -1.13565200    3.04117300
 F                  0.96522900   -3.03129800    4.40898500
 F                  0.38952600   -1.54266900    6.50239400
 F                 -1.66173600    0.26295300    6.41786400
 F                 -3.11813300    0.54085200    4.21418300
 C                 -2.65671500   -0.93854600    1.82033600
 C                 -3.88004200   -0.38508000    1.68612700
 H                 -2.20813600   -1.29490800    0.89692900
 H                 -4.44017900   -0.03780400    2.54148000
 C                 -4.51670500   -0.32030200    0.34450000
 O                 -3.95999800   -0.78695800   -0.65015000
 C                 -5.87625900    0.29628600    0.22643500
 C                 -6.41544700    1.15563400    1.19762500
 C                 -7.67829700    1.72032400    1.01761400
 C                 -8.42194200    1.42253900   -0.12567300
 C                 -7.89396500    0.56736400   -1.09842900
 C                 -6.62833500    0.01590800   -0.92686800
 H                 -5.84527800    1.41413800    2.08402800
 H                 -8.08019100    2.39311800    1.76997900
 H                 -9.40892900    1.85684800   -0.26044600
 H                 -8.47075800    0.33463200   -1.98936500
 H                 -6.19958000   -0.64426900   -1.67339200
 C                 -1.82134000   -3.96801100    1.08148800
 C                 -1.90193200   -4.41733600   -0.24721600
 C                 -3.00046400   -5.16901100   -0.66518300
 C                 -4.02751600   -5.47375500    0.23023800
 C                 -3.95301600   -5.02865200    1.55155400
 C                 -2.85540700   -4.27937700    1.97792400
 H                 -1.10316500   -4.18691200   -0.94760800
 H                 -3.05311500   -5.51134100   -1.69482400
 H                 -4.88412100   -6.05502000   -0.10009700
 H                 -4.74868400   -5.26396900    2.25334000
 H                 -2.80774500   -3.93855000    3.00788700
 C                  0.87137900   -4.36412800    2.03529500
 C                  2.24437400   -4.16542500    1.83019100
 C                  3.14890200   -5.17529000    2.15880600
 C                  2.69490000   -6.38644800    2.68239900
 C                  1.32719800   -6.59135300    2.87719300
 C                  0.41632600   -5.58719500    2.55217500
 H                  2.60383500   -3.22810600    1.42260800
 H                  4.21051100   -5.01320900    1.99550700
 H                  3.40308800   -7.17229900    2.93158700
 H                  0.96645500   -7.53518900    3.27716300
 H                 -0.64490500   -5.76345200    2.69528200
103
1L1-T1
 Pd                -0.01989700   -0.04260000    0.10954200
 Cl                 1.00535600    0.24394300    2.23179800
 Cl                -0.99312600   -0.32177200   -2.03787000
 P                 -1.09574700   -2.08565000    0.88136000
 C                 -2.39956900   -2.62018300   -0.32342300
 C                 -2.17371800   -3.63750000   -1.23853600
 C                 -3.12064200   -4.02493600   -2.19657300
 C                 -4.34082000   -3.35924900   -2.26402300
 C                 -4.59012500   -2.31748400   -1.39149500
 C                 -3.65539000   -1.88922100   -0.40433400
 F                 -1.02271400   -4.32244500   -1.27442300
 F                 -2.85263400   -5.02514300   -3.03820600
 F                 -5.25291700   -3.72079500   -3.17049300
 F                 -5.77732100   -1.69242600   -1.51227100
 C                 -3.96634500   -0.80596300    0.43642900
 C                 -5.24599300   -0.09259400    0.48817300
 H                 -3.21460200   -0.45994700    1.13726700
 H                 -6.12632600   -0.62540700    0.84103100
 C                 -5.34721500    1.33204400    0.26685600
 O                 -4.31665900    2.02675100    0.17960400
 C                 -6.70393200    1.96427500    0.22248700
 C                 -7.85335600    1.24337100   -0.13613100
 C                 -9.09485200    1.87703400   -0.18912600
 C                 -9.20087400    3.23436700    0.12198500
 C                 -8.05886900    3.96090600    0.47290200
 C                 -6.81725000    3.33186400    0.51544200
 H                 -7.77419600    0.19487900   -0.40961500
 H                 -9.97720000    1.31311000   -0.47899400
 H                -10.16922000    3.72630500    0.08579300
 H                 -8.13880300    5.01792700    0.71201800
 H                 -5.91999000    3.88213500    0.77995800
 C                 -2.00814900   -2.21850100    2.48973300
 C                 -2.99984100   -3.20212400    2.66095600
 C                 -3.65802600   -3.33962400    3.88249600
 C                 -3.34328000   -2.49276200    4.94786600
 C                 -2.36656000   -1.51112400    4.78288500
 C                 -1.69920300   -1.37115600    3.56336300
 H                 -3.26680800   -3.85840600    1.83825300
 H                 -4.41976200   -4.10604100    3.99862800
 H                 -3.85964100   -2.59749800    5.89830300
 H                 -2.11679200   -0.84506100    5.60414800
 H                 -0.93658300   -0.61010800    3.44659000
 C                  0.19490800   -3.39137100    1.00070400
 C                 -0.00957900   -4.58335400    1.71302900
 C                  1.00679200   -5.53398800    1.79159600
 C                  2.23715900   -5.30161300    1.17141900
 C                  2.45226800   -4.11267400    0.47406600
 C                  1.43563500   -3.16059700    0.39027300
 H                 -0.95291100   -4.77090200    2.21455400
 H                  0.83855700   -6.45389000    2.34531100
 H                  3.02903900   -6.04273500    1.24257000
 H                  3.40646000   -3.90022800    0.00294400
 H                  1.62180300   -2.23505500   -0.14452500
 P                  1.12765300    1.88167400   -0.78295400
 C                  2.20355600    2.71517200    0.48726200
 C                  1.79508600    3.88352300    1.12833100
 C                  2.59150800    4.53427400    2.07337600
 C                  3.82628400    4.00298700    2.40615100
 C                  4.24264200    2.81956000    1.80256300
 C                  3.45783400    2.13808800    0.86455300
 F                  0.60850700    4.45596300    0.88386200
 F                  2.16692400    5.66315800    2.64568200
 F                  4.60363100    4.61109200    3.30560500
 F                  5.43222200    2.33557900    2.20170200
 C                  3.87179400    0.82395800    0.36020100
 C                  5.12135700    0.33273300    0.24416700
 H                  3.06924500    0.15438000    0.06854600
 H                  5.98928200    0.92720800    0.49239500
 C                  5.32341400   -1.03763200   -0.29094700
 O                  4.38005600   -1.70579600   -0.71627300
 C                  6.71450000   -1.59535100   -0.33059800
 C                  7.77018600   -1.07735300    0.43667100
 C                  9.03762500   -1.65756700    0.37595300
 C                  9.26772000   -2.75160900   -0.46006800
 C                  8.22219400   -3.27510600   -1.22772800
 C                  6.95457800   -2.70584400   -1.15688800
 H                  7.60456800   -0.23974100    1.10660200
 H                  9.84427700   -1.25571600    0.98282800
 H                 10.25749500   -3.19747900   -0.51178800
 H                  8.39848800   -4.12747100   -1.87829000
 H                  6.12827900   -3.10153900   -1.73824800
 C                  2.32573900    1.60897000   -2.16258200
 C                  2.23406000    0.46354600   -2.96590800
 C                  3.12144100    0.27871300   -4.02809200
 C                  4.10607900    1.22782800   -4.30069500
 C                  4.20787400    2.36907900   -3.50184700
 C                  3.32826800    2.55736400   -2.43722200
 H                  1.46461800   -0.27360900   -2.76994200
 H                  3.03980600   -0.61577500   -4.63901800
 H                  4.79561500    1.07848500   -5.12723900
 H                  4.97640600    3.11096200   -3.70155400
 H                  3.43680100    3.43761100   -1.81101700
 C                 -0.06241900    3.12670000   -1.42556800
 C                 -1.39799100    3.05563000   -1.00620700
 C                 -2.33105200    3.98090500   -1.47407700
 C                 -1.93968500    4.97747500   -2.36884700
 C                 -0.61313500    5.04503400   -2.80064400
 C                  0.32337300    4.12270800   -2.33535200
 H                 -1.72586600    2.27504300   -0.32863400
 H                 -3.35919500    3.89632400   -1.13847800
 H                 -2.66788300    5.69471800   -2.73879100
 H                 -0.30527200    5.81144200   -3.50704000
 H                  1.34460000    4.17611100   -2.69604700
105
4L1-S0
 Pd                 0.00000000    0.00000000    0.00000000
 C                 -0.96458400    1.31062000    1.19143600
 C                  0.96458400   -1.31062000   -1.19143600
 N                 -1.52429200    2.05547100    1.89730100
 N                  1.52429200   -2.05547100   -1.89730100
 P                  0.27159100    1.72932100   -1.65850900
 C                  1.38053500    1.18927800   -3.05148500
 C                  0.88855400    0.89521900   -4.32130300
 C                  1.71819000    0.46731200   -5.36072900
 C                  3.07717000    0.32615600   -5.13564000
 C                  3.59073300    0.60897300   -3.87299000
 C                  2.78111800    1.02422900   -2.80941100
 F                 -0.41106500    1.00209800   -4.63070400
 F                  1.20342900    0.20867800   -6.56426600
 F                  3.88646800   -0.07687200   -6.11692700
 F                  4.91301100    0.43112100   -3.71519700
 C                  3.34323100    1.19973500   -1.46760500
 C                  4.61060200    1.50919200   -1.12970900
 H                  2.65922300    1.04246900   -0.63817600
 H                  5.36163000    1.71163300   -1.87983400
 C                  4.97954200    1.62149500    0.30484100
 O                  4.13703200    1.48783900    1.19385900
 C                  6.40334600    1.92179200    0.66342200
 C                  7.47265200    1.76503000   -0.23322900
 C                  8.77923400    2.03968600    0.17157300
 C                  9.03127700    2.48436800    1.47062500
 C                  7.97306700    2.64261400    2.37153500
 C                  6.67125400    2.35654700    1.97275400
 H                  7.29972200    1.40159100   -1.24086300
 H                  9.59980200    1.90429400   -0.52750600
 H                 10.04898900    2.70451900    1.78187900
 H                  8.16666600    2.98758700    3.38359000
 H                  5.83733500    2.46621900    2.65822500
 C                  1.02374000    3.34718800   -1.19042900
 C                  1.62320300    4.15355600   -2.17545500
 C                  2.15284400    5.39929800   -1.84272600
 C                  2.09799300    5.85311700   -0.52284700
 C                  1.50801000    5.05718600    0.45857100
 C                  0.97187000    3.80964200    0.13241100
 H                  1.68396300    3.80881300   -3.20305600
 H                  2.61206900    6.01124100   -2.61434700
 H                  2.51622400    6.82170900   -0.26254600
 H                  1.46214500    5.40077300    1.48795000
 H                  0.50449400    3.21169400    0.90495400
 C                 -1.38791200    2.13449400   -2.32816400
 C                 -1.69404100    3.40059600   -2.84766200
 C                 -2.97708200    3.66477400   -3.32701900
 C                 -3.95996600    2.67353900   -3.28963800
 C                 -3.66203500    1.41520800   -2.76342500
 C                 -2.38301100    1.14720500   -2.27830900
 H                 -0.94306800    4.18303400   -2.87095900
 H                 -3.20827000    4.64949000   -3.72409800
 H                 -4.95918300    2.88595900   -3.66057400
 H                 -4.41516400    0.63556000   -2.71262800
 H                 -2.17254800    0.16818300   -1.85899600
 P                 -0.27159100   -1.72932100    1.65850900
 C                 -1.38053500   -1.18927800    3.05148500
 C                 -0.88855400   -0.89521900    4.32130300
 C                 -1.71819000   -0.46731200    5.36072900
 C                 -3.07717000   -0.32615600    5.13564000
 C                 -3.59073300   -0.60897300    3.87299000
 C                 -2.78111800   -1.02422900    2.80941100
 F                  0.41106500   -1.00209800    4.63070400
 F                 -1.20342900   -0.20867800    6.56426600
 F                 -3.88646800    0.07687200    6.11692700
 F                 -4.91301100   -0.43112100    3.71519700
 C                 -3.34323100   -1.19973500    1.46760500
 C                 -4.61060200   -1.50919200    1.12970900
 H                 -2.65922300   -1.04246900    0.63817600
 H                 -5.36163000   -1.71163300    1.87983400
 C                 -4.97954200   -1.62149500   -0.30484100
 O                 -4.13703200   -1.48783900   -1.19385900
 C                 -6.40334600   -1.92179200   -0.66342200
 C                 -7.47265200   -1.76503000    0.23322900
 C                 -8.77923400   -2.03968600   -0.17157300
 C                 -9.03127700   -2.48436800   -1.47062500
 C                 -7.97306700   -2.64261400   -2.37153500
 C                 -6.67125400   -2.35654700   -1.97275400
 H                 -7.29972200   -1.40159100    1.24086300
 H                 -9.59980200   -1.90429400    0.52750600
 H                -10.04898900   -2.70451900   -1.78187900
 H                 -8.16666600   -2.98758700   -3.38359000
 H                 -5.83733500   -2.46621900   -2.65822500
 C                 -1.02374000   -3.34718800    1.19042900
 C                 -0.97187000   -3.80964200   -0.13241100
 C                 -1.50801000   -5.05718600   -0.45857100
 C                 -2.09799300   -5.85311700    0.52284700
 C                 -2.15284400   -5.39929800    1.84272600
 C                 -1.62320300   -4.15355600    2.17545500
 H                 -0.50449400   -3.21169400   -0.90495400
 H                 -1.46214500   -5.40077300   -1.48795000
 H                 -2.51622400   -6.82170900    0.26254600
 H                 -2.61206900   -6.01124100    2.61434700
 H                 -1.68396300   -3.80881300    3.20305600
 C                  1.38791200   -2.13449400    2.32816400
 C                  2.38301100   -1.14720500    2.27830900
 C                  3.66203500   -1.41520800    2.76342500
 C                  3.95996600   -2.67353900    3.28963800
 C                  2.97708200   -3.66477400    3.32701900
 C                  1.69404100   -3.40059600    2.84766200
 H                  2.17254800   -0.16818300    1.85899600
 H                  4.41516400   -0.63556000    2.71262800
 H                  4.95918300   -2.88595900    3.66057400
 H                  3.20827000   -4.64949000    3.72409800
 H                  0.94306800   -4.18303400    2.87095900
103
5L1-S0
 Pt                 0.00000000    0.00000000    0.00000000
 Cl                -1.30806400    1.57633400    1.23525500
 Cl                 1.30806400   -1.57633400   -1.23525500
 P                  0.28733500    1.68282000   -1.66348600
 C                  1.40822200    1.14642900   -3.05156800
 C                  0.92096400    0.83458900   -4.31867200
 C                  1.76094500    0.45288500   -5.36802500
 C                  3.12633800    0.37203100   -5.15312500
 C                  3.63494700    0.66373300   -3.89015500
 C                  2.81556600    1.03355100   -2.81706500
 F                 -0.38475100    0.88223200   -4.61726900
 F                  1.24952400    0.17931100   -6.57059200
 F                  3.94679800    0.01160400   -6.14298400
 F                  4.96498200    0.53378100   -3.74174600
 C                  3.37909100    1.21178700   -1.47402700
 C                  4.63575500    1.56862700   -1.14244700
 H                  2.70844900    1.00538200   -0.64537800
 H                  5.37142600    1.81398000   -1.89519200
 C                  5.01505500    1.67144500    0.28995400
 O                  4.18628600    1.50852000    1.18666000
 C                  6.43663900    1.99896100    0.63795100
 C                  7.49918800    1.88221000   -0.27257400
 C                  8.80354800    2.18160800    0.12203600
 C                  9.06008200    2.61098600    1.42530400
 C                  8.00875300    2.72867800    2.34033200
 C                  6.70960400    2.41813200    1.95111100
 H                  7.32316500    1.53118900   -1.28409000
 H                  9.61895600    2.07747500   -0.58841800
 H                 10.07580200    2.85040500    1.72883200
 H                  8.20575500    3.06099100    3.35601100
 H                  5.88119500    2.49541400    2.64758900
 C                  1.08390400    3.27483000   -1.17854800
 C                  1.57213200    4.14690600   -2.16885900
 C                  2.16686000    5.35680600   -1.81491100
 C                  2.29355600    5.70589600   -0.46809800
 C                  1.82398200    4.83991100    0.51893200
 C                  1.22140000    3.62915600    0.17064000
 H                  1.50217300    3.87738700   -3.21869600
 H                  2.53794200    6.02123800   -2.59057200
 H                  2.76318400    6.64614700   -0.19180300
 H                  1.92796300    5.09912600    1.56864600
 H                  0.85407200    2.96584600    0.94380700
 C                 -1.35737400    2.11934100   -2.35705100
 C                 -1.65025000    3.39047300   -2.87005900
 C                 -2.92520400    3.66713600   -3.36560800
 C                 -3.91544200    2.68332200   -3.34882300
 C                 -3.63238200    1.41974700   -2.82640400
 C                 -2.36178100    1.13950400   -2.32760000
 H                 -0.89850500    4.17177900   -2.87254300
 H                 -3.14390200    4.65687400   -3.75750100
 H                 -4.90826200    2.90539400   -3.73139500
 H                 -4.39280600    0.64615900   -2.78636900
 H                 -2.16336000    0.15962000   -1.90585600
 P                 -0.28733500   -1.68282000    1.66348600
 C                 -1.40822200   -1.14642900    3.05156800
 C                 -0.92096400   -0.83458900    4.31867200
 C                 -1.76094500   -0.45288500    5.36802500
 C                 -3.12633800   -0.37203100    5.15312500
 C                 -3.63494700   -0.66373300    3.89015500
 C                 -2.81556600   -1.03355100    2.81706500
 F                  0.38475100   -0.88223200    4.61726900
 F                 -1.24952400   -0.17931100    6.57059200
 F                 -3.94679800   -0.01160400    6.14298400
 F                 -4.96498200   -0.53378100    3.74174600
 C                 -3.37909100   -1.21178700    1.47402700
 C                 -4.63575500   -1.56862700    1.14244700
 H                 -2.70844900   -1.00538200    0.64537800
 H                 -5.37142600   -1.81398000    1.89519200
 C                 -5.01505500   -1.67144500   -0.28995400
 O                 -4.18628600   -1.50852000   -1.18666000
 C                 -6.43663900   -1.99896100   -0.63795100
 C                 -7.49918800   -1.88221000    0.27257400
 C                 -8.80354800   -2.18160800   -0.12203600
 C                 -9.06008200   -2.61098600   -1.42530400
 C                 -8.00875300   -2.72867800   -2.34033200
 C                 -6.70960400   -2.41813200   -1.95111100
 H                 -7.32316500   -1.53118900    1.28409000
 H                 -9.61895600   -2.07747500    0.58841800
 H                -10.07580200   -2.85040500   -1.72883200
 H                 -8.20575500   -3.06099100   -3.35601100
 H                 -5.88119500   -2.49541400   -2.64758900
 C                 -1.08390400   -3.27483000    1.17854800
 C                 -1.22140000   -3.62915600   -0.17064000
 C                 -1.82398200   -4.83991100   -0.51893200
 C                 -2.29355600   -5.70589600    0.46809800
 C                 -2.16686000   -5.35680600    1.81491100
 C                 -1.57213200   -4.14690600    2.16885900
 H                 -0.85407200   -2.96584600   -0.94380700
 H                 -1.92796300   -5.09912600   -1.56864600
 H                 -2.76318400   -6.64614700    0.19180300
 H                 -2.53794200   -6.02123800    2.59057200
 H                 -1.50217300   -3.87738700    3.21869600
 C                  1.35737400   -2.11934100    2.35705100
 C                  2.36178100   -1.13950400    2.32760000
 C                  3.63238200   -1.41974700    2.82640400
 C                  3.91544200   -2.68332200    3.34882300
 C                  2.92520400   -3.66713600    3.36560800
 C                  1.65025000   -3.39047300    2.87005900
 H                  2.16336000   -0.15962000    1.90585600
 H                  4.39280600   -0.64615900    2.78636900
 H                  4.90826200   -2.90539400    3.73139500
 H                  3.14390200   -4.65687400    3.75750100
 H                  0.89850500   -4.17177900    2.87254300