          9
PH3PdPH3 Charge = 0  Multiplicity = 1  E = -814.381870 a.u.  G = -814.362005 a.u.
 Pd                -0.00000100    0.00018200   -0.00017600
 P                 -2.31099400   -0.00020500    0.00019100
 H                 -3.02966600    1.09696800    0.55057200
 H                 -3.02999600   -0.07253300   -1.22495900
 H                 -3.02919400   -1.02549000    0.67558300
 P                  2.31100000   -0.00018300    0.00019500
 H                  3.02991300    1.09495100    0.55429800
 H                  3.02897400   -1.02794700    0.67205500
 H                  3.02992900   -0.06848000   -1.22522800
          144
1 Charge = 1  Multiplicity = 1  E = -9272.916577 a.u.  G = -814.3620050 a.u.
 Os                 0.67471100   -0.08904700    0.14591500
 Br                 4.86049600   -0.21458100   -2.65295400
 Br                -2.86608200   -0.57916800   -3.20130200
 P                 -4.10544800    0.00011600    0.01805400
 P                  0.57549800   -2.58920700    0.44503900
 P                  0.73356500    2.39625000   -0.42869400
 C                  2.26992400   -0.33427200   -1.28210800
 C                 -1.74386700   -0.33310700   -1.62802400
 C                 -0.90315400   -3.33742000    1.31235700
 C                 -0.37912700   -0.38181300   -1.68917500
 C                  2.13125100    3.46420100    0.21823900
 C                 -0.72160500    3.44602600    0.09257100
 C                 -1.51800800   -2.66251700    2.37592300
 H                 -1.22165000   -1.64849200    2.61302100
 C                 -2.30425800   -0.06128300   -0.31705700
 C                 -4.44445100    0.06451500    1.82304800
 C                  2.23805700    0.00664700    1.43642900
 C                  3.27757500   -3.20040200    1.07119800
 H                  3.50948700   -2.68352000    0.14815400
 C                  1.79081400   -0.56964700   -2.61179300
 H                  2.47567100   -0.72025600   -3.43940800
 C                  4.33370300   -0.18588000    0.17004400
 C                 -1.20433500    3.32426400    1.40374600
 H                 -0.81864900    2.54970200    2.05525400
 C                  0.86953500    1.12875200    3.31409200
 C                  1.94315200   -3.31358100    1.49472200
 C                 -4.35529000   -2.74958700   -0.38017900
 H                 -3.42578900   -2.82390600    0.17508000
 C                  3.59054500   -0.04015800    1.38713100
 H                  4.16070900   -0.04417800    2.31346600
 C                 -4.97211400   -3.90966300   -0.84844900
 H                 -4.51527100   -4.87371100   -0.64679500
 C                  3.67803500   -0.27273700   -1.06441100
 C                 -4.93201500    1.49609200   -0.64990900
 C                  0.43322400   -0.60334900   -2.82499500
 H                  0.01950600   -0.77435000   -3.81699700
 C                 -1.35015000    0.10656200    0.67263300
 H                 -1.70808500    0.33783400    1.67526500
 C                 -0.23115300    0.99866600    4.18332200
 H                 -0.84617200    0.10304700    4.13341900
 C                 -4.13578600    1.23980300    2.52705100
 H                 -3.67059900    2.07795900    2.01943600
 C                  0.82584300    2.73845600   -2.27022600
 C                  1.67999300   -3.96523600    2.71022100
 H                  0.66541500   -4.07221600    3.07302000
 C                  5.80957500   -0.27886800    0.35441500
 C                  1.98577800    3.22365500   -2.88884800
 H                  2.87314800    3.44221800   -2.30914500
 C                  1.17793100    0.03243300    2.36228100
 H                  0.92171200   -0.94016800    2.78597700
 C                 -0.30371400    2.50060400   -3.07065200
 H                 -1.21469000    2.12580200   -2.62194300
 C                  1.71120800   -4.39448400   -1.49929700
 H                  2.58682700   -4.46273600   -0.86693600
 C                 -6.16297800   -3.82858100   -1.57399600
 H                 -6.63821500   -4.73329600   -1.94189900
 C                  4.52249200    3.88536100    0.40307300
 H                  5.54193700    3.56907600    0.20175200
 C                 -5.07529000    0.28118100    4.54059600
 H                 -5.32582900    0.36709200    5.59403800
 C                 -4.28837500    2.34174200   -1.55997100
 H                 -3.27618600    2.13137600   -1.88024100
 C                  4.31618700   -3.74460400    1.82712100
 H                  5.33981000   -3.64410500    1.47849700
 C                 -2.14324400    4.23139000    1.90176300
 H                 -2.47146000    4.14325400    2.93405500
 C                  4.27395500    5.09360800    1.05583300
 H                  5.09905200    5.72444600    1.37430000
 C                  0.61616700   -3.60443700   -1.12544300
 C                 -6.25429500    3.75123400   -1.63952100
 H                 -6.76857700    4.62598400   -2.02688100
 C                 -6.13427700   -1.41703800   -1.36099600
 H                 -6.58560300   -0.45533400   -1.57850900
 C                 -4.95183100    3.46766200   -2.05111000
 H                 -4.44544900    4.12186900   -2.75413700
 C                 -0.51648600   -3.59073500   -1.95728500
 H                 -1.38665300   -3.00592900   -1.68522400
 C                 -4.93844500   -1.49870900   -0.63525900
 C                  1.89238200    4.68492800    0.86887700
 H                  0.88230200    5.02358200    1.05812000
 C                  4.04256300   -4.39161400    3.03316100
 H                  4.85172200   -4.80930100    3.62540500
 C                 -6.89518900    2.91592600   -0.72005400
 H                 -7.90444400    3.14017300   -0.38777300
 C                  3.46076600    3.07388300   -0.00315900
 H                  3.67315900    2.14347800   -0.51173700
 C                 -0.27606200    2.73835800   -4.44430600
 H                 -1.16662700    2.55048000   -5.03795900
 C                 -5.39784900   -0.88073300    3.83824700
 H                 -5.90383900   -1.70011800    4.34057900
 C                 -4.44268400    1.33985600    3.88313800
 H                 -4.19798700    2.25023200    4.42239400
 C                  1.67475500    2.27468000    3.44279400
 H                  2.54934200    2.38469500    2.81111800
 C                 -6.23700400    1.79451500   -0.21889100
 H                 -6.73505200    1.16178400    0.50984900
 C                  6.55620900   -1.35658500   -0.15428600
 H                  6.06652200   -2.11575200   -0.75498100
 C                 -5.08230400   -0.99507400    2.48210300
 H                 -5.34168300   -1.90119200    1.94715200
 C                 -2.49487400   -3.29142300    3.15252300
 H                 -2.94899900   -2.75340100    3.97893300
 C                  6.46965600    0.67548800    1.14790100
 H                  5.90716600    1.50696000    1.56203100
 C                 -0.53274100    1.98520300    5.12272700
 H                 -1.38255500    1.85266600    5.78776200
 C                 -1.20731700    4.49052500   -0.71014800
 H                 -0.82693800    4.63087300   -1.71495700
 C                  8.56899700   -0.49381400    0.87747400
 H                  9.63401500   -0.57594400    1.07477800
 C                  0.89046800    3.20846200   -5.05115600
 H                  0.91668500    3.39019300   -6.12180200
 C                 -1.29253000   -4.66031100    1.04125600
 H                 -0.81561000   -5.21575900    0.24207400
 C                 -2.63394100    5.25694900    1.09127800
 H                 -3.36265400    5.96261100    1.48038100
 C                 -2.88138700   -4.60205800    2.86894400
 H                 -3.63781800   -5.09335200    3.47462600
 C                  1.68384400   -5.13091800   -2.68730800
 H                  2.54465100   -5.73595500   -2.95764800
 C                  2.95607400    5.48718700    1.28783900
 H                  2.74691400    6.42809500    1.78939100
 C                  2.72368300   -4.49398800    3.47342900
 H                  2.49726000   -4.99305700    4.41147200
 C                  7.91959700   -1.46593900    0.11194000
 H                  8.47692900   -2.31074200   -0.28297300
 C                 -6.74129700   -2.58335300   -1.82858200
 H                 -7.66470600   -2.51548700   -2.39606400
 C                 -2.16586200    5.37940500   -0.21747300
 H                 -2.52750300    6.18230100   -0.85403800
 C                  7.83969000    0.57858000    1.39239900
 H                  8.33411700    1.33763300    1.99207200
 C                  0.55997700   -5.10095200   -3.51132700
 H                  0.54032500   -5.67675000   -4.43226000
 C                  1.37260700    3.26133800    4.38052400
 H                  2.01322300    4.13548900    4.45907600
 C                 -2.27915600   -5.28301700    1.80848500
 H                 -2.56076200   -6.30898200    1.58741300
 C                 -0.54549500   -4.33432000   -3.13636300
 H                 -1.43412000   -4.30941600   -3.76108200
 C                  2.01787900    3.44989900   -4.26805200
 H                  2.93040400    3.82464200   -4.72290600
 C                  0.26526300    3.12743300    5.22201200
 H                  0.03895900    3.89370300    5.95811000
          153
 1-3Ts' Charge = 1  Multiplicity = 1  E = -10087.286432 a.u.  G =  -10086.218343 a.u.
 Os                 0.84533700    0.20518300    0.24368300
 Br                 4.69865900   -1.24410800   -2.69272700
 Br                -3.18471100   -0.30442100   -2.83226500
 P                 -3.93400400    0.51729500    0.55791900
 P                  0.90882900   -2.02667700    1.48042500
 P                  0.96151400    2.45959700   -0.99509000
 C                  2.26364200   -0.47316100   -1.24855700
 C                 -1.78616300   -0.54972000   -1.09818700
 C                 -0.58442600   -2.46205100    2.53067000
 C                 -0.42228600   -0.50801400   -1.36436500
 C                  2.52737000    3.47464500   -0.81233500
 C                 -0.30713400    3.77905900   -0.60537800
 C                 -1.16719000   -1.46351100    3.32697600
 H                 -0.82357700   -0.44042600    3.23985500
 C                 -2.18684500    0.17818100    0.10869700
 C                 -4.07611900    1.09176200    2.30913900
 C                  2.55282000    0.62001400    1.27495000
 C                  3.56503200   -2.41857600    2.38090500
 H                  3.78302300   -2.56136100    1.32863700
 C                  1.65189600   -0.77771900   -2.48775000
 H                  2.23798100   -1.00805600   -3.37133200
 C                  4.46867100   -0.20185900   -0.03484400
 C                 -0.73256600    3.96421400    0.71619400
 H                 -0.41461800    3.27510600    1.48712000
 C                  1.46241500    2.35145500    2.86386900
 C                  2.25128700   -2.14375300    2.79521800
 C                 -4.81695900   -2.05940000    1.19787100
 H                 -3.99031900   -2.07768900    1.90180900
 C                  3.87853500    0.43987400    1.11614000
 H                  4.55336300    0.69109100    1.93156200
 C                 -5.68703800   -3.14838300    1.12976700
 H                 -5.53598700   -3.99598300    1.79176500
 C                  3.69013600   -0.57530700   -1.12428200
 C                 -4.68587600    1.92600800   -0.35495700
 C                  0.26048800   -0.76125600   -2.56637800
 H                 -0.25186400   -0.87801700   -3.51803500
 C                 -1.11829100    0.60280800    0.87912500
 H                 -1.35907800    1.12163400    1.80605600
 C                  0.45228900    2.55540400    3.82551500
 H                 -0.22964800    1.74135200    4.06206000
 C                 -3.49261400    2.32673300    2.63971300
 H                 -2.95253500    2.89658500    1.89179300
 C                  0.80293000    2.38584900   -2.86427300
 C                  2.00050000   -1.98889400    4.16568400
 H                  0.99630200   -1.80064000    4.52785700
 C                  5.93749700   -0.43321600    0.08189900
 C                  1.87063600    2.64030400   -3.73564600
 H                  2.85166500    2.88990200   -3.35333700
 C                  1.59855300    1.01319500    2.23512400
 H                  1.34830700    0.24290900    2.96234600
 C                 -0.45301500    2.09693900   -3.41896100
 H                 -1.29981000    1.89144400   -2.77642800
 C                  1.71201000   -4.75232400    1.30327900
 H                  1.83464300   -4.69902800    2.37947300
 C                 -6.74074000   -3.15113200    0.21249300
 H                 -7.41627600   -4.00033300    0.16294900
 C                  4.93825500    3.66197100   -1.09914300
 H                  5.88094200    3.20049400   -1.37924500
 C                 -4.37444400    2.15828900    4.88694400
 H                 -4.49221500    2.57148100    5.88454500
 C                 -3.93904400    2.71064500   -1.23763600
 H                 -2.89963500    2.47802700   -1.42957600
 C                  4.59843600   -2.53036000    3.30940100
 H                  5.60609600   -2.73944500    2.96193600
 C                 -1.52073200    5.06513900    1.06417600
 H                 -1.80833300    5.20744800    2.10234300
 C                  4.89673700    4.99954400   -0.70286900
 H                  5.80849400    5.58914100   -0.66623500
 C                  1.28035700   -3.62242600    0.58022600
 C                 -5.86795200    4.12475600   -1.61121600
 H                 -6.32872100    4.97528300   -2.10532900
 C                 -6.06987900   -0.95940500   -0.56603400
 H                 -6.22280700   -0.11958000   -1.23299900
 C                 -4.53345600    3.80795700   -1.86502200
 H                 -3.94518200    4.41363800   -2.54646900
 C                  1.16047800   -3.72409000   -0.80950400
 H                  0.84779100   -2.86894000   -1.38778600
 C                 -5.02332800   -0.94644200    0.36655500
 C                  2.49643200    4.82191400   -0.41964200
 H                  1.56325000    5.29842500   -0.14959800
 C                  4.33952100   -2.36458800    4.67178800
 H                  5.14448300   -2.45149900    5.39608400
 C                 -6.60968000    3.35608600   -0.70935000
 H                 -7.64412100    3.60861100   -0.49586300
 C                  3.76563300    2.90464300   -1.14471200
 H                  3.82118400    1.87048000   -1.45742800
 C                 -0.64013000    2.06125100   -4.80046800
 H                 -1.62515200    1.83404200   -5.19895700
 C                 -4.98418100    0.94900600    4.55327200
 H                 -5.58548500    0.41918200    5.28647000
 C                 -3.63105800    2.84712000    3.92543600
 H                 -3.16853500    3.79882200    4.16988200
 C                  2.36026700    3.40568900    2.62510800
 H                  3.17539100    3.26062900    1.92542000
 C                 -6.02103500    2.26464500   -0.07423700
 H                 -6.59980300    1.68407600    0.63815200
 C                  6.49578000   -1.71830700   -0.03285200
 H                  5.85856900   -2.56134200   -0.27962300
 C                 -4.83682500    0.41331000    3.27104500
 H                 -5.33053900   -0.51992500    3.03134300
 C                 -2.16474000   -1.77162200    4.25451300
 H                 -2.58539200   -0.98258400    4.87038700
 C                  6.78414500    0.63525800    0.42204100
 H                  6.36723000    1.63220200    0.53166600
 C                  0.32337300    3.77212200    4.49484700
 H                 -0.45743400    3.89643100    5.24142900
 C                 -0.69095900    4.72386900   -1.57319300
 H                 -0.34903100    4.62801500   -2.59679900
 C                  8.69504800   -0.84627300    0.48138000
 H                  9.75905400   -1.00620300    0.63118300
 C                  0.43368200    2.30491400   -5.65927500
 H                  0.29265100    2.27596900   -6.73610100
 C                 -1.04889000   -3.77721700    2.67325700
 H                 -0.62120700   -4.57535700    2.07918900
 C                 -1.90964100    5.98961800    0.09456100
 H                 -2.51925700    6.84667300    0.36685400
 C                 -2.61199100   -3.08753300    4.39287300
 H                 -3.37900400   -3.33252200    5.12246900
 C                  2.00483900   -5.94803400    0.64914700
 H                  2.33727100   -6.80647500    1.22606600
 C                  3.67226900    5.57353600   -0.36110300
 H                  3.62313100    6.61455700   -0.05363700
 C                  3.03905300   -2.09553100    5.09580900
 H                  2.82156100   -1.97576800    6.15351200
 C                  7.85939800   -1.92256400    0.17174300
 H                  8.27044600   -2.92461900    0.08518600
 C                 -6.92100000   -2.06294500   -0.64271400
 H                 -7.72888000   -2.06519600   -1.36836400
 C                 -1.49212500    5.81363900   -1.22605100
 H                 -1.77076300    6.53623400   -1.98846500
 C                  8.15279800    0.43378400    0.60330400
 H                  8.79310300    1.27694700    0.84746000
 C                  1.88986700   -6.03521900   -0.74122100
 H                  2.13708600   -6.96113200   -1.25304200
 C                  2.22990100    4.62394100    3.29211400
 H                  2.94021200    5.42083000    3.08879100
 C                 -2.05490700   -4.08652100    3.59353300
 H                 -2.38819700   -5.11615300    3.69340600
 C                  1.47138200   -4.92040300   -1.46543400
 H                  1.39928900   -4.96888100   -2.54870600
 C                  1.68703700    2.59331900   -5.12073800
 H                  2.53116500    2.79308300   -5.77480000
 C                  1.20866100    4.81891200    4.22462700
 H                  1.11712600    5.76556600    4.74967200
 Pd                -2.02452000   -2.52284600   -1.93968100
 P                 -1.66584700   -3.89566700   -3.91348300
 H                 -0.40070500   -3.95128700   -4.57016200
 H                 -1.91103100   -5.29966100   -3.96671000
 H                 -2.42616200   -3.56851400   -5.07169700
 P                 -2.77445200   -4.30952700   -0.51749700
 H                 -3.01639900   -4.43821200    0.87859500
 H                 -3.97554000   -4.96015000   -0.92510500
 H                 -1.95480600   -5.47252900   -0.61305400
          153
 1-8Ts' Charge = 1  Multiplicity = 1  E = -10087.290139 a.u.  G =  -10086.224770 a.u.
 Os                 0.13171000    0.14521500    0.32505900
 Br                -2.96144300   -1.02670100   -3.28324600
 P                 -4.58995800   -0.36494500   -0.26779700
 P                  0.21839300   -2.28682500    1.01158200
 P                 -0.04927300    2.56463200   -0.50937100
 C                  1.89072800   -0.03233600   -0.92812000
 C                 -2.04742400   -0.51758100   -1.63736900
 C                 -1.27199100   -3.02472200    1.88254700
 C                 -0.68669500   -0.41132200   -1.56351200
 C                  1.08760900    3.88782800    0.17749500
 C                 -1.68714100    3.42256100   -0.23693800
 C                 -2.02403100   -2.25298100    2.77899500
 H                 -1.81842800   -1.19573800    2.87720300
 C                 -2.76999500   -0.20810700   -0.41655900
 C                 -5.14609500   -0.17303500    1.47320800
 C                  1.55711900    0.54083300    1.73342500
 C                  2.88501500   -2.63221000    1.90907700
 H                  3.16837900   -2.37507100    0.89046400
 C                  1.56768000   -0.38004400   -2.27900200
 H                  2.34686500   -0.43950500   -3.03204700
 C                  3.78467000    0.59293000    0.65591100
 C                 -2.24190900    3.38896200    1.05094700
 H                 -1.79463900    2.76800600    1.81762300
 C                 -0.07730100    1.72994000    3.34853200
 C                  1.53328200   -2.66740600    2.28631000
 C                 -4.42378300   -3.14460300   -0.36529200
 H                 -3.56624100   -3.02478600    0.28892500
 C                  2.89901900    0.68778600    1.79330300
 H                  3.36226800    0.92918500    2.74759300
 C                 -4.81986100   -4.42435300   -0.75328900
 H                 -4.26694200   -5.28549900   -0.39053600
 C                  3.25765300    0.17040400   -0.58186800
 C                 -5.53089700    0.92154900   -1.17790200
 C                  0.25234000   -0.59257100   -2.60833700
 H                 -0.04463500   -0.84835000   -3.62376800
 C                 -1.94895900    0.15902100    0.63618300
 H                 -2.43142900    0.43243100    1.57346500
 C                 -1.23452700    1.57658500    4.13804400
 H                 -1.75478200    0.62174600    4.14155500
 C                 -5.03303600    1.08653900    2.08376300
 H                 -4.58210900    1.91689300    1.55130600
 C                  0.21799900    2.77012700   -2.35131900
 C                  1.21401400   -2.99773000    3.61209700
 H                  0.18173100   -3.04126600    3.93807900
 C                  5.19822600    0.99390100    0.98344100
 C                  1.38446500    3.35027600   -2.86663700
 H                  2.16201700    3.70916200   -2.20506800
 C                  0.41814800    0.57419300    2.55814800
 H                  0.20136700   -0.36457300    3.06799700
 C                 -0.76449600    2.33271800   -3.25526400
 H                 -1.67453000    1.87543000   -2.88782900
 C                  1.43161800   -4.64088000   -0.11754600
 H                  2.09646800   -4.64687300    0.73680000
 C                 -5.91427800   -4.59335200   -1.60460900
 H                 -6.21765900   -5.59094700   -1.90884000
 C                  3.34006300    4.63406700    0.72158200
 H                  4.40367800    4.42335500    0.77111300
 C                 -6.14349300    0.22973400    4.05592400
 H                 -6.53608800    0.38757300    5.05639700
 C                 -4.90631700    1.77621200   -2.09226300
 H                 -3.84122600    1.70265600   -2.27008000
 C                  3.88656700   -2.95082600    2.82629900
 H                  4.92398200   -2.94201800    2.50377000
 C                 -3.33330500    4.19742900    1.37674600
 H                 -3.71767400    4.18628100    2.39328900
 C                  2.84508100    5.86780500    1.14557000
 H                  3.52216700    6.62874400    1.52340800
 C                  0.49629300   -3.60750900   -0.28722500
 C                 -7.03015400    2.84762000   -2.53990200
 H                 -7.61267000    3.59375400   -3.07253600
 C                 -6.23081400   -2.19431300   -1.68217300
 H                 -6.77409900   -1.33578100   -2.06106300
 C                 -5.65890300    2.73676900   -2.77085200
 H                 -5.16818000    3.39832700   -3.47816200
 C                 -0.37454200   -3.66761100   -1.38704300
 H                 -1.12380400   -2.90085000   -1.53002800
 C                 -5.13258100   -2.02565900   -0.82864200
 C                  0.60192500    5.13770200    0.59418000
 H                 -0.45528100    5.36358700    0.55756200
 C                  3.56002100   -3.27468400    4.14512100
 H                  4.34164600   -3.51725800    4.85961900
 C                 -7.65413200    2.00617500   -1.61436700
 H                 -8.71890400    2.09824500   -1.42172800
 C                  2.46919700    3.65467200    0.23875300
 H                  2.87099600    2.71037400   -0.10062500
 C                 -0.58976200    2.47713800   -4.63124800
 H                 -1.36915800    2.13774900   -5.30830400
 C                 -6.27359500   -1.01691400    3.44277400
 H                 -6.76961100   -1.83215500    3.96149800
 C                 -5.52051300    1.27966700    3.37520300
 H                 -5.42649400    2.25504300    3.84360300
 C                  0.59869200    2.96163900    3.41135500
 H                  1.51001500    3.09897100    2.84082900
 C                 -6.90901500    1.04920300   -0.92815400
 H                 -7.39769900    0.41188900   -0.19697400
 C                  5.82659800    0.39240700    2.09279900
 H                  5.32183900   -0.41514000    2.61504700
 C                 -5.77258100   -1.22460400    2.15525400
 H                 -5.87907900   -2.19778600    1.69045400
 C                 -3.02146200   -2.83385600    3.56597100
 H                 -3.58201100   -2.21584800    4.26049300
 C                  5.86829900    2.05207600    0.34689000
 H                  5.40900800    2.55564400   -0.49251600
 C                 -1.71431600    2.61764400    4.93279900
 H                 -2.60437800    2.46633100    5.53867100
 C                 -2.25703700    4.27800100   -1.19258400
 H                 -1.82712500    4.35646500   -2.18399600
 C                  7.75107100    1.84167000    1.86320200
 H                  8.73251100    2.16617500    2.19692100
 C                  0.58092000    3.04983300   -5.13323000
 H                  0.72133100    3.15985900   -6.20479200
 C                 -1.55304800   -4.39834500    1.78543000
 H                 -0.97992800   -5.02921700    1.11667700
 C                 -3.90516400    5.03336200    0.41521800
 H                 -4.75247800    5.66386900    0.66999000
 C                 -3.29478100   -4.19794100    3.45832600
 H                 -4.06726700   -4.65277700    4.07214800
 C                  1.50125200   -5.69559300   -1.03238300
 H                  2.22844800   -6.48778600   -0.87669100
 C                  1.47474300    6.11647900    1.07330500
 H                  1.07501200    7.07604000    1.38980500
 C                  2.22197900   -3.28784900    4.53580500
 H                  1.95250700   -3.53817200    5.55799500
 C                  7.08936700    0.80052100    2.51881000
 H                  7.55334900    0.30709200    3.36881900
 C                 -6.61705300   -3.47878000   -2.06719500
 H                 -7.46545200   -3.60551800   -2.73316200
 C                 -3.36566700    5.06610700   -0.87083700
 H                 -3.78980500    5.72421700   -1.62425600
 C                  7.12989900    2.46569000    0.78167000
 H                  7.62387000    3.28635200    0.26832700
 C                  0.63752800   -5.73973600   -2.12719500
 H                  0.69167600   -6.56205300   -2.83505900
 C                  0.11886000    4.00285500    4.20544000
 H                  0.66270900    4.94292200    4.23436000
 C                 -2.56015200   -4.97605300    2.56170000
 H                 -2.75596000   -6.04145300    2.47546000
 C                 -0.30161400   -4.72129600   -2.30012200
 H                 -0.98665000   -4.74349200   -3.14325000
 C                  1.56470100    3.48376000   -4.24632300
 H                  2.47935800    3.93448800   -4.62046600
 C                 -1.04223000    3.84189300    4.96538200
 H                 -1.40727600    4.65291000    5.58930200
 Pd                 4.62871700   -1.39236600   -1.02717200
 Br                 4.55409100    0.90377500   -2.42802900
 P                  3.75166100   -3.06239400   -2.59171700
 H                  4.14500100   -2.77912900   -3.93252200
 H                  4.19433600   -4.41838700   -2.61363900
 H                  2.39332700   -3.35483200   -2.90898700
 P                  6.88933100   -2.06166400   -0.40926300
 H                  7.23543200   -2.52976700    0.89283800
 H                  7.61535600   -3.07190600   -1.10729600
 H                  7.90917100   -1.07191300   -0.48242000
          153
 1-3C' Charge = 1  Multiplicity = 1  E = -10087.338203 a.u.  G = -10086.268872 a.u.
 Os                 1.02792600    0.08268200    0.23808600
 Br                 4.53718500   -0.70983600   -3.33260900
 Br                -3.89471900    1.07295800   -3.32050400
 P                 -3.67894100    0.14517300    1.13628100
 P                  1.17152800   -2.40014300    1.02107300
 P                  1.01810800    2.48865800   -0.54535300
 C                  2.26365600   -0.31259000   -1.48908500
 C                 -1.78517800   -0.42784300   -0.98070900
 C                 -0.23444200   -3.03630900    2.08638100
 C                 -0.42447900   -0.38942900   -1.29535600
 C                  2.55345900    3.52514500   -0.23689800
 C                 -0.26712300    3.64199700    0.16315000
 C                 -0.65536800   -2.27907200    3.19355900
 H                 -0.24807600   -1.28871800    3.36584600
 C                 -1.98960100   -0.02372700    0.39662400
 C                 -3.64921400    0.27938700    2.97850700
 C                  2.84540900    0.26791400    1.14857200
 C                  3.90198600   -2.93468900    1.55899200
 H                  4.01517400   -2.85371700    0.48379500
 C                  1.50955700   -0.51152900   -2.67278600
 H                  1.98920400   -0.65107900   -3.63657300
 C                  4.59736400   -0.24700500   -0.49856200
 C                 -0.55914000    3.56960400    1.53236600
 H                 -0.14139400    2.76918500    2.13011700
 C                  1.99391400    1.64645600    3.17587200
 C                  2.63851600   -2.76014900    2.14959300
 C                 -4.37801600   -2.57033800    1.13743700
 H                 -3.45355700   -2.72180300    1.68547200
 C                  4.14733200    0.12753000    0.82006100
 H                  4.91280600    0.21514000    1.58895700
 C                 -5.20466800   -3.66283200    0.87129600
 H                 -4.91414700   -4.65046500    1.21758800
 C                  3.69472100   -0.39392300   -1.54315900
 C                 -4.55419400    1.68871500    0.65867200
 C                  0.12516300   -0.56758800   -2.57443800
 H                 -0.49311700   -0.72809000   -3.45839800
 C                 -0.84207500    0.27557600    1.13564600
 H                 -0.99073100    0.58948000    2.16844700
 C                  1.09994500    1.64580800    4.26737500
 H                  0.41393900    0.80996500    4.38614100
 C                 -3.06943200    1.42705100    3.54667400
 H                 -2.60515200    2.17681400    2.91511000
 C                  0.79424700    2.75355900   -2.38930200
 C                  2.52855600   -2.89001600    3.54101000
 H                  1.57057500   -2.77927200    4.03470600
 C                  6.06902500   -0.48322200   -0.60114700
 C                  1.82747700    3.21652400   -3.21768900
 H                  2.80601300    3.43896100   -2.81317500
 C                  2.00944100    0.47252700    2.26604100
 H                  1.78462700   -0.42765100    2.83458000
 C                 -0.46110100    2.50543400   -2.96656000
 H                 -1.28594600    2.14493700   -2.36334300
 C                  1.93586000   -5.04122800    0.26372300
 H                  2.19231100   -5.17816100    1.30801200
 C                 -6.40041500   -3.48627000    0.16860500
 H                 -7.04402900   -4.33808800   -0.03231300
 C                  4.94667600    3.85411400   -0.55420200
 H                  5.89715600    3.48078000   -0.92468400
 C                 -3.76471600    0.70142300    5.74896100
 H                 -3.81296300    0.86688500    6.82151200
 C                 -3.99593000    2.61106700   -0.22913000
 H                 -3.03823900    2.41590500   -0.69350100
 C                  5.01923800   -3.23756800    2.33735500
 H                  5.98392400   -3.37253600    1.85619400
 C                 -1.34859900    4.54698500    2.14524200
 H                 -1.54589000    4.48491500    3.21190700
 C                  4.86849300    5.11522000    0.04033200
 H                  5.75908100    5.72932000    0.14280000
 C                  1.42068600   -3.81018000   -0.18911400
 C                 -5.92061400    4.05302200    0.06514200
 H                 -6.45107700    4.97224300   -0.16767700
 C                 -5.94925200   -1.11138700   -0.00147100
 H                 -6.24985300   -0.12921100   -0.34689500
 C                 -4.68331000    3.79345400   -0.52228400
 H                 -4.24543700    4.50674700   -1.21320400
 C                  1.08911900   -3.68584000   -1.54230100
 H                  0.68321300   -2.75759600   -1.91286000
 C                 -4.75277800   -1.28511000    0.70922100
 C                  2.48603400    4.79645600    0.35487900
 H                  1.54548700    5.19127000    0.71598500
 C                  4.89948600   -3.35885900    3.72416000
 H                  5.77006500   -3.59415700    4.33036900
 C                 -6.47659900    3.13379300    0.96245700
 H                 -7.43587600    3.33546700    1.43046300
 C                  3.80135500    3.06420600   -0.68362700
 H                  3.87994500    2.09425400   -1.15607900
 C                 -0.67442500    2.71435600   -4.33046400
 H                 -1.65701300    2.50965700   -4.74471300
 C                 -4.36290100   -0.42629900    5.18601900
 H                 -4.88198300   -1.14318400    5.81570900
 C                 -3.11899200    1.62834900    4.92567700
 H                 -2.66787300    2.51885000    5.35349900
 C                  2.90028100    2.71759600    3.07549200
 H                  3.62563500    2.72682900    2.26954100
 C                 -5.79534100    1.95814900    1.26663700
 H                 -6.22619900    1.25806600    1.97646200
 C                  6.58634900   -1.73299500   -0.98447600
 H                  5.90837000   -2.53001200   -1.27260200
 C                 -4.30582900   -0.64183700    3.80606800
 H                 -4.78773200   -1.51837000    3.39093600
 C                 -1.57115500   -2.80204000    4.10924100
 H                 -1.85965200   -2.21036100    4.97229800
 C                  6.96833800    0.51908300   -0.20093300
 H                  6.58575400    1.48267500    0.12192000
 C                  1.09171200    2.68275800    5.20045700
 H                  0.39451100    2.65183500    6.03438200
 C                 -0.78723900    4.71307700   -0.58242500
 H                 -0.55599700    4.81326400   -1.63643700
 C                  8.84862100   -0.94853700   -0.61467500
 H                  9.92027800   -1.12847500   -0.62284100
 C                  0.36417700    3.16538300   -5.14801800
 H                  0.19688600    3.32583000   -6.20985100
 C                 -0.79635200   -4.30870000    1.89585700
 H                 -0.49729300   -4.92147600    1.05421300
 C                 -1.86756000    5.60429700    1.39554900
 H                 -2.47992500    6.36472300    1.87236400
 C                 -2.11092400   -4.07642100    3.91845100
 H                 -2.82052200   -4.48288600    4.63384800
 C                  2.12324500   -6.10380000   -0.61987400
 H                  2.52146500   -7.04373000   -0.24761100
 C                  3.63429500    5.58059200    0.49513200
 H                  3.55498500    6.56077300    0.95771900
 C                  3.65192000   -3.18245000    4.32193400
 H                  3.54023800   -3.28143500    5.39834800
 C                  7.96214600   -1.96404700   -0.98629200
 H                  8.34172500   -2.93994200   -1.27760000
 C                 -6.76701200   -2.21243300   -0.27028200
 H                 -7.69433400   -2.06674900   -0.81691500
 C                 -1.58696500    5.68156600    0.02963800
 H                 -1.97746300    6.50405600   -0.56355300
 C                  8.34654900    0.29417600   -0.22302100
 H                  9.02520700    1.08916200    0.07451500
 C                  1.80706800   -5.95946600   -1.97417500
 H                  1.96476200   -6.78414200   -2.66390100
 C                  2.89278300    3.75542000    4.00957200
 H                  3.60753400    4.56834600    3.90903700
 C                 -1.73085500   -4.82129000    2.80132300
 H                 -2.14514100   -5.81235400    2.63639200
 C                  1.28743400   -4.74898800   -2.43086500
 H                  1.03728400   -4.62078500   -3.48083600
 C                  1.61573000    3.41458000   -4.58552300
 H                  2.43444800    3.77458800   -5.20307600
 C                  1.98631900    3.74988200    5.07311100
 H                  1.98728700    4.55700100    5.80082000
 Pd                -3.19657400   -1.15785000   -2.32170500
 P                 -4.75940100   -2.02334700   -3.97286500
 H                 -4.46605200   -1.72658600   -5.32651500
 H                 -5.03587800   -3.41261700   -4.11227600
 H                 -6.09050100   -1.54324800   -3.91545300
 P                 -2.56495600   -3.28100900   -1.69992800
 H                 -1.91573000   -3.52912000   -0.47150000
 H                 -3.58202800   -4.26517700   -1.65952700
 H                 -1.66574100   -3.90605300   -2.59666900
          153
 1-8C' Charge = 1  Multiplicity = 1  E = -10087.346428 a.u.  G = -10086.277222 a.u.
 Os                -0.06171500    0.08860500    0.48101300
 Br                 2.69374300    0.41550400   -3.56753500
 P                  4.61460400    0.00283500   -0.64251200
 P                  0.14578600    2.61051000    0.71425800
 P                 -0.14751700   -2.44665400    0.14582100
 C                 -1.93550600    0.26763400   -0.61464400
 C                  1.93996700    0.24777600   -1.76841900
 C                  1.80416900    3.33837200    1.18578700
 C                  0.59049600    0.27643300   -1.54914000
 C                 -1.41820900   -3.42719200    1.11264300
 C                  1.39395400   -3.42262300    0.57637800
 C                  2.57392600    2.72149300    2.18345400
 H                  2.27198100    1.76251900    2.58568500
 C                  2.77303900    0.05716700   -0.59384000
 C                  5.34234700    0.10507700    1.04263400
 C                 -1.37183800    0.07417300    2.03569500
 C                 -2.30427800    3.25805300    1.98325300
 H                 -2.74974000    2.71340800    1.15958900
 C                 -1.72029300    0.40424100   -2.02925800
 H                 -2.56442600    0.48552300   -2.71186100
 C                 -3.67504200    0.12212100    1.16481800
 C                  2.08342000   -3.13888900    1.76430900
 H                  1.79949300   -2.28675500    2.36884400
 C                  0.25484600   -0.89130200    3.80150900
 C                 -0.90704000    3.36175700    2.07263900
 C                  4.75990300    2.69516000   -1.38268300
 H                  3.96058100    2.84375300   -0.66416300
 C                 -2.71289200    0.03377800    2.22815500
 H                 -3.09774400   -0.02095200    3.24539300
 C                  5.26670700    3.78760600   -2.08697100
 H                  4.85606000    4.77693200   -1.90788700
 C                 -3.29964400    0.25892400   -0.17977600
 C                  5.27293100   -1.56569700   -1.33844700
 C                 -0.43636800    0.40699300   -2.51493500
 H                 -0.23196000    0.48841300   -3.58141700
 C                  2.04283500   -0.06366400    0.57529100
 H                  2.60100700   -0.21914000    1.49625000
 C                  1.45897100   -0.66812500    4.50189200
 H                  2.06786900    0.19552100    4.24497200
 C                  5.14606900   -0.95956800    1.93770000
 H                  4.53844500   -1.81139600    1.65341000
 C                 -0.46545900   -3.07728300   -1.59587900
 C                 -0.35630600    4.06674200    3.15449400
 H                  0.71622500    4.17058000    3.25992100
 C                 -5.10359500    0.09734700    1.60329700
 C                 -1.51729900   -3.95311400   -1.89825500
 H                 -2.23827400   -4.23489900   -1.14296400
 C                 -0.17136900    0.09247600    2.77431400
 H                  0.19070400    1.08597000    3.03728300
 C                  0.44933800   -2.76400100   -2.61493800
 H                  1.27973900   -2.10481800   -2.40655200
 C                 -1.24630500    4.70869900   -0.69803400
 H                 -1.78790500    4.90433900    0.21883800
 C                  6.29331600    3.60825800   -3.01802500
 H                  6.68369500    4.46036300   -3.56734200
 C                 -3.75527700   -3.83854600    1.65223500
 H                 -4.80054100   -3.56381600    1.54201100
 C                  6.57326000    0.13716500    3.55622100
 H                  7.05308500    0.14843300    4.53077900
 C                  4.45903000   -2.44379300   -2.06319100
 H                  3.40977400   -2.22463700   -2.21134200
 C                 -3.12839100    3.87038300    2.92956800
 H                 -4.20757500    3.79721700    2.82890000
 C                  3.11741300   -3.96997300    2.20507800
 H                  3.62076700   -3.74398700    3.14119000
 C                 -3.39511900   -4.92842400    2.44768100
 H                 -4.15789200   -5.50629600    2.96264700
 C                 -0.29756100    3.67631500   -0.76479700
 C                  6.34809800   -3.91883000   -2.40215400
 H                  6.76517300   -4.83254300   -2.81594500
 C                  6.31832900    1.23414300   -2.53961600
 H                  6.72912700    0.24903600   -2.72983000
 C                  4.99834100   -3.61829700   -2.59233000
 H                  4.35813100   -4.29648200   -3.14872500
 C                  0.41290300    3.50169000   -1.96449300
 H                  1.17369900    2.73594100   -2.03661200
 C                  5.28559600    1.41422800   -1.60951000
 C                 -1.06674100   -4.53189400    1.90442500
 H                 -0.03146000   -4.82720600    2.01666400
 C                 -2.56999000    4.56664200    4.00418500
 H                 -3.21166900    5.03640500    4.74455500
 C                  7.16165100   -3.04798700   -1.67163000
 H                  8.21065900   -3.28095100   -1.51372300
 C                 -2.77568400   -3.09382800    0.99020800
 H                 -3.07632300   -2.27068400    0.35459000
 C                  0.31574100   -3.30116400   -3.89542800
 H                  1.04164600   -3.04467800   -4.66261500
 C                  6.78719100    1.18485000    2.65922300
 H                  7.43430900    2.01416000    2.92964000
 C                  5.75152900   -0.93420700    3.19354900
 H                  5.59169400   -1.75855300    3.88249700
 C                 -0.52795100   -1.99580400    4.18627000
 H                 -1.47289400   -2.17890000    3.68698400
 C                  6.62931900   -1.87625300   -1.13475000
 H                  7.26878500   -1.21231400   -0.56159400
 C                 -5.52433400    0.87948000    2.69688400
 H                 -4.80912300    1.51939500    3.20363000
 C                  6.17218200    1.17531900    1.40455600
 H                  6.35010200    1.99554200    0.71905100
 C                  3.71115900    3.34871700    2.69768600
 H                  4.28367600    2.85930400    3.47962000
 C                 -6.05659100   -0.73328500    0.98267600
 H                 -5.75240000   -1.38252700    0.16944700
 C                  1.87470800   -1.52171800    5.52401400
 H                  2.80675500   -1.32084700    6.04695400
 C                  1.77508800   -4.55259500   -0.16592700
 H                  1.25056100   -4.81601900   -1.07629200
 C                 -7.78817700    0.04131100    2.49421500
 H                 -8.81940000    0.01959400    2.83620100
 C                 -0.74019200   -4.16918100   -4.18558700
 H                 -0.84502600   -4.59260900   -5.18089900
 C                  2.20774900    4.59546900    0.70648000
 H                  1.62539600    5.10897700   -0.04919800
 C                  3.49573300   -5.08525700    1.45472100
 H                  4.30131200   -5.72902600    1.79721900
 C                  4.10752700    4.59631300    2.21107700
 H                  4.99184800    5.08430300    2.61158600
 C                 -1.49875800    5.52000600   -1.80956300
 H                 -2.23608600    6.31458700   -1.73142800
 C                 -2.04825300   -5.27338100    2.56768800
 H                 -1.75251400   -6.12426800    3.17574900
 C                 -1.18263900    4.65434700    4.11692100
 H                 -0.73316000    5.19098200    4.94799900
 C                 -6.85194800    0.86239500    3.12833400
 H                 -7.15175600    1.48694000    3.96588300
 C                  6.81780600    2.33296700   -3.24103700
 H                  7.61623200    2.18815800   -3.96307300
 C                  2.82347100   -5.36973900    0.26528500
 H                  3.10189300   -6.23714600   -0.32712700
 C                 -7.38134000   -0.76340500    1.42707000
 H                 -8.09279700   -1.42627500    0.94077500
 C                 -0.80034800    5.32353300   -3.00148400
 H                 -0.99531900    5.95687900   -3.86254000
 C                 -0.11274500   -2.84971200    5.20951500
 H                 -0.73968600   -3.69348400    5.48677900
 C                  3.35478800    5.21450000    1.21094500
 H                  3.64816700    6.18813600    0.82771400
 C                  0.16351500    4.31518500   -3.07122800
 H                  0.72779200    4.15887300   -3.98680600
 C                 -1.65229800   -4.49191700   -3.18194100
 H                 -2.47549800   -5.17074100   -3.38752300
 C                  1.09155900   -2.62342900    5.88188500
 H                  1.40881300   -3.28803400    6.68100000
 Pd                -4.83861200    0.52291000   -1.60875000
 Br                -4.76826600   -1.91107800   -2.41060200
 P                 -4.85512100    2.72800400   -0.97809000
 H                 -5.79902700    3.58134000   -1.60474100
 H                 -5.12224100    3.03967400    0.37613800
 H                 -3.68005800    3.49023600   -1.18050400
 P                 -6.58622900    0.76496500   -3.27674200
 H                 -7.72716000   -0.06630300   -3.14603100
 H                 -7.25436600    1.99914200   -3.51574600
 H                 -6.24411100    0.45106000   -4.61625900
          144
 3 Charge = 1  Multiplicity = 1  E = -11846.502516 a.u.  G = -11845.491215 a.u.
 Os                -0.69400600   -0.30636400   -0.04214500
 P                 -0.62967500    1.51442100    1.73985100
 P                 -0.74012700   -2.29471300   -1.60794500
 Br                -4.93703400   -1.72645900    2.28803000
 Br                 2.76021000   -2.68907300    2.48141100
 Br                 0.53059600    6.84463000   -3.01796200
 P                  4.08182100   -0.46562800    0.14086400
 C                  1.67825600   -1.57150600    1.31123500
 C                  2.27299400   -0.68493500    0.32915700
 C                 -2.02137000    2.76890600    1.81780000
 C                  1.34655300    0.01904700   -0.42192000
 H                  1.73863900    0.72585300   -1.15289700
 C                  0.58061800    0.26689300    3.97489400
 H                  1.47194000    0.25171700    3.35916300
 C                  4.91121600   -1.93155500   -0.58555900
 C                 -1.76794800    4.15050100    1.81956400
 H                 -0.75809900    4.52865200    1.72908500
 C                 -0.60970500    0.82987800    3.48452600
 C                 -4.35481600   -0.18151500   -0.05823800
 C                 -5.82980300   -0.08024100   -0.24473200
 C                 -0.52656900   -2.29147500    2.23564700
 H                 -0.13646200   -2.96449100    2.99680100
 C                 -1.87700900   -2.08378800    2.08704700
 H                 -2.58053400   -2.60099300    2.73013900
 C                 -6.63784100   -1.21866500   -0.41411500
 H                 -6.19788700   -2.20781600   -0.34171500
 C                 -2.32347200   -1.18038000    1.06866200
 C                 -3.72498800   -0.95766700    0.92216200
 C                 -3.58505600    0.55755300   -1.01529100
 H                 -4.13995700    1.08361400   -1.78888000
 C                  0.31254200   -1.56385900    1.36190500
 C                 -2.23229600    0.53708700   -1.06053800
 C                  0.07902400   -4.47888500   -0.01373000
 H                  0.97494000   -3.89236500    0.14648600
 C                 -3.43288500   -2.24791300   -2.49484300
 H                 -3.67551300   -2.28123500   -1.43989600
 C                 -2.09492300   -4.77119300   -1.01330000
 H                 -2.90048600   -4.43807000   -1.65460700
 C                 -0.96010500   -3.97331500   -0.81330100
 C                 -2.08873800   -2.24012400   -2.90269200
 C                 -3.35151300    2.33520600    1.92536600
 H                 -3.58046100    1.27831200    1.91835800
 C                  0.73725900   -2.60092500   -2.71188900
 C                 -2.81604500    5.06639700    1.93381700
 H                 -2.59458600    6.13015900    1.93425300
 C                  2.34086900   -1.73366500   -4.32276500
 H                  2.80340800   -0.88290400   -4.81636500
 C                 -4.13285600    4.62330100    2.05841700
 H                 -4.94481100    5.33794300    2.15888400
 C                  1.38387600   -1.51963100   -3.32739600
 H                  1.11892400   -0.50648200   -3.04895900
 C                  1.40786500    3.14390000    0.60677800
 H                  1.07367400    2.75847800   -0.34688900
 C                  4.97886000    2.12436900   -0.59383700
 H                  5.13025400    2.31531000    0.46187900
 C                  4.46345100    0.89772800   -1.03200700
 C                  0.83690300    2.67360100    1.79651500
 C                  4.86047200   -0.04861600    1.74923500
 C                 -1.16004700    0.97968200   -1.85882000
 H                 -0.95927600    0.36062600   -2.73435000
 C                 -0.76904400    2.38986300   -2.09418700
 C                 -1.49000500    3.48014400   -1.57591200
 H                 -2.36391100    3.30005000   -0.95959900
 C                  4.62772300    1.65413600   -3.32911700
 H                  4.50424600    1.46433800   -4.39166500
 C                  2.24362800    4.22678300    3.03700100
 H                  2.55024700    4.65471000    3.98775400
 C                  1.08617100   -3.90296900   -3.10464800
 H                  0.58485500   -4.75767900   -2.66579200
 C                 -1.16719900   -6.51143900    0.39592700
 H                 -1.24965300   -7.48816800    0.86401000
 C                  4.85613900    1.31958300    3.74680300
 H                  4.40490100    2.10972200    4.33901400
 C                  1.26224900    3.23412300    3.01481600
 H                  0.81575500    2.91378500    3.94874000
 C                  0.64281800   -0.26773700    5.26119400
 H                  1.57752000   -0.69110100    5.61840400
 C                 -6.42508900    1.18731200   -0.36602100
 H                 -5.81370500    2.07740300   -0.25119900
 C                  4.28349500    0.97036100    2.52357400
 H                  3.39268900    1.48946300    2.18398600
 C                 -4.46538900   -2.22240700   -3.43263900
 H                 -5.49647000   -2.22830700   -3.09129900
 C                 -0.02120400   -5.73554600    0.58186100
 H                  0.79758400   -6.10380200    1.19396900
 C                 -1.73332000    0.84690500    4.32079500
 H                 -2.66272400    1.29367800    3.99255800
 C                  2.80674300    4.68761800    1.84414800
 H                  3.55798500    5.47244500    1.86191900
 C                 -1.11230100    4.79483200   -1.84453900
 H                 -1.68375000    5.62027400   -1.43432500
 C                  6.91234400   -2.92648600   -1.52358000
 H                  7.95697900   -2.84457800   -1.80866900
 C                  6.00235000   -0.71746200    2.20996400
 H                  6.44282600   -1.52199400    1.63198700
 C                 -7.99934600   -1.09008400   -0.68220200
 H                 -8.60560400   -1.98120200   -0.81850300
 C                  6.21902700   -4.12368000   -1.72416300
 H                  6.72775100   -4.97710000   -2.16303000
 C                 -4.39642600    3.25296400    2.05644800
 H                 -5.41470300    2.88850300    2.15747400
 C                  4.21560500   -3.12641600   -0.80179300
 H                  3.16846500   -3.20685200   -0.53794400
 C                  6.26189400   -1.82865500   -0.96348700
 H                  6.80241700   -0.89583300   -0.83078300
 C                 -8.58422100    0.17595000   -0.77025500
 H                 -9.64774100    0.27325200   -0.96868200
 C                 -0.00000100    5.03787200   -2.65039800
 C                  4.29935800    0.66193400   -2.40697300
 H                  3.93483400   -0.29795700   -2.75593900
 C                  0.33222400    2.67329000   -2.92432700
 H                  0.88951600    1.85423300   -3.37253000
 C                  0.72472000    3.98221200   -3.20215200
 H                  1.57636600    4.17661900   -3.84518800
 C                  2.06305700   -4.11538800   -4.08001800
 H                  2.31572200   -5.13119700   -4.37114200
 C                  2.68879400   -3.03243500   -4.69832800
 H                  3.43203800   -3.19781600   -5.47300700
 C                  2.38239600    4.14607300    0.63050300
 H                  2.79634600    4.50503300   -0.30656100
 C                 -2.19900700   -6.02602700   -0.40564200
 H                 -3.08965500   -6.62499100   -0.57317700
 C                  6.56547500   -0.36287400    3.43642000
 H                  7.44740400   -0.88741700    3.79186800
 C                 -1.80713900   -2.19090700   -4.27717900
 H                 -0.78511000   -2.18985900   -4.63486700
 C                  5.31423300    3.10973500   -1.52550700
 H                  5.72336300    4.05461900   -1.18022300
 C                  5.99571200    0.65447100    4.20469500
 H                  6.43691400    0.92592000    5.15932100
 C                 -1.67273400    0.30097900    5.60645600
 H                 -2.55750100    0.32643400    6.23623000
 C                  4.87247000   -4.21870600   -1.37186400
 H                  4.32591800   -5.14122900   -1.54138900
 C                 -7.79301500    1.31401100   -0.60845200
 H                 -8.23758800    2.30277600   -0.67871600
 C                  5.13576100    2.88003200   -2.89001600
 H                  5.40406700    3.64736400   -3.61041600
 C                 -0.48812500   -0.25991400    6.08073200
 H                 -0.44219400   -0.67881200    7.08199700
 C                 -4.17347200   -2.16886100   -4.79657100
 H                 -4.97695600   -2.14189800   -5.52705300
 C                 -2.84321900   -2.14979600   -5.21348700
 H                 -2.60241900   -2.11067500   -6.27211700
          153
 3-3Ts' Charge = 1  Multiplicity = 1  E = -12660.872032 a.u.  G = -12659.817884 a.u.
 Os                 0.78138300   -0.18523600    0.03365800
 Br                 4.04625600   -3.33634700   -2.20096300
 Br                -3.53646000   -1.01726300   -2.53536400
 P                 -3.83709200    1.10522300    0.30902200
 P                  0.56118800   -1.76303500    2.04206400
 P                  1.16238900    1.37352300   -1.96337700
 C                  1.92140200   -1.63242600   -1.11023300
 C                 -2.05131600   -0.87078600   -0.87154900
 C                 -0.87968900   -1.45484300    3.20267200
 C                 -0.72846700   -1.18891800   -1.15898000
 C                  2.89008600    2.05717700   -2.22307900
 C                  0.18337000    2.96494400   -2.06704200
 C                 -1.18537100   -0.13406700    3.56751400
 H                 -0.66480800    0.68824200    3.09244900
 C                 -2.21453100    0.31171800   -0.02206700
 C                 -3.72886700    2.30860600    1.70775100
 C                  2.61905800    0.22725600    0.80609700
 C                  3.17648500   -2.32135800    2.96997100
 H                  3.26232200   -2.88399100    2.04715600
 C                  1.15925900   -2.24837900   -2.13114400
 H                  1.61620700   -2.89711500   -2.87101300
 C                  4.23823000   -1.37727300   -0.12154700
 C                 -0.07635400    3.69545800   -0.90053900
 H                  0.18792100    3.28289000    0.06383100
 C                  2.02394700    2.60435900    1.62878600
 C                  1.97942700   -1.65310400    3.27584700
 C                 -5.08188400   -0.82727500    1.90998200
 H                 -4.22260400   -0.72335500    2.56555200
 C                  3.87292200   -0.25606400    0.71172900
 H                  4.64902100    0.13736900    1.36463500
 C                 -6.12254400   -1.68372000    2.27239000
 H                 -6.06726000   -2.22440600    3.21265400
 C                  3.31304900   -1.96103500   -0.97891300
 C                 -4.43029700    2.18590000   -1.05589000
 C                 -0.20993800   -1.99390200   -2.18694000
 H                 -0.81726900   -2.35270800   -3.01416100
 C                 -1.02629100    0.78286300    0.50679700
 H                 -1.09642700    1.64134400    1.17368600
 C                  1.18981300    3.35790500    2.47829400
 H                  0.40790200    2.85573700    3.04342800
 C                 -2.92692100    3.44821600    1.52403600
 H                 -2.36803600    3.58431700    0.60480800
 C                  0.81392600    0.64876000   -3.65853800
 C                  1.89328200   -0.95426700    4.48806100
 H                  0.97904300   -0.44574800    4.77186800
 C                  5.64713100   -1.83399300    0.05139200
 C                  1.82518500    0.32604100   -4.57365800
 H                  2.86677600    0.48652100   -4.32784200
 C                  1.84286500    1.13399100    1.55810300
 H                  1.52083200    0.75818800    2.52756800
 C                 -0.52001300    0.44546400   -4.04226600
 H                 -1.32686600    0.68162600   -3.36002400
 C                  0.82749600   -4.45908100    2.91190400
 H                  1.04473500   -4.03462500    3.88600000
 C                 -7.22387200   -1.84952500    1.42910900
 H                 -8.03236300   -2.51606000    1.71551700
 C                  5.26240800    1.65043100   -2.59278200
 H                  6.08360000    0.94437300   -2.67750800
 C                 -3.63391300    4.31131600    3.67143300
 H                 -3.60028200    5.08745200    4.43051200
 C                 -3.62765600    2.46518700   -2.16531000
 H                 -2.64854300    2.01263900   -2.25786200
 C                  4.25720500   -2.28918600    3.84951200
 H                  5.17293000   -2.81139900    3.58763200
 C                 -0.62586500    4.97899900   -0.96923400
 H                 -0.78667700    5.54147000   -0.05348100
 C                  5.48564600    3.01748600   -2.76392700
 H                  6.48426600    3.38755000   -2.97842400
 C                  0.55218000   -3.61667100    1.81660300
 C                 -5.33665300    3.94694200   -3.02717900
 H                 -5.69130800    4.62597700   -3.79718900
 C                 -6.25576300   -0.28551500   -0.14426700
 H                 -6.31178700    0.24449100   -1.08729400
 C                 -4.08462200    3.34411900   -3.14985400
 H                 -3.45383300    3.55743300   -4.00660300
 C                  0.30466800   -4.19798900    0.56929300
 H                  0.10579400   -3.57151600   -0.28600100
 C                 -5.15973300   -0.10131100    0.71024000
 C                  3.12532300    3.42984600   -2.40016300
 H                  2.31611500    4.14459100   -2.32894200
 C                  4.16436400   -1.58210800    5.05048800
 H                  5.00640100   -1.55596400    5.73632000
 C                 -6.12978900    3.68915400   -1.90526800
 H                 -7.09780400    4.16937300   -1.79702700
 C                  3.97800600    1.17611100   -2.31602000
 H                  3.82788500    0.11242100   -2.18894000
 C                 -0.83786400   -0.06630400   -5.30007300
 H                 -1.88060900   -0.21297300   -5.56783900
 C                 -4.45732800    3.19861400    3.84278500
 H                 -5.07382900    3.10667900    4.73235200
 C                 -2.87146500    4.43481700    2.50720300
 H                 -2.24509400    5.30875000    2.35382100
 C                  3.05725000    3.28598800    0.96361600
 H                  3.74684800    2.73089700    0.33865200
 C                 -5.67729300    2.81898600   -0.91567600
 H                 -6.29288400    2.63933800   -0.03923100
 C                  5.95596400   -3.15552800    0.41827300
 H                  5.16005400   -3.88696900    0.51396600
 C                 -4.50707400    2.19841900    2.86813100
 H                 -5.16650600    1.35285100    3.01709000
 C                 -2.13041500    0.14027600    4.55826400
 H                 -2.33427200    1.17068100    4.83301600
 C                  6.69627700   -0.90433600   -0.04511700
 H                  6.47433000    0.12534000   -0.31028200
 C                  1.34788000    4.73443100    2.63154100
 H                  0.69991700    5.29285400    3.29903100
 C                 -0.12376800    3.55008900   -3.30805800
 H                  0.09703500    3.02461400   -4.22954700
 C                  8.31114100   -2.60753000    0.53835300
 H                  9.33863200   -2.90816500    0.72267600
 C                  0.17823900   -0.39504500   -6.19980300
 H                 -0.06522900   -0.79499400   -7.18012300
 C                 -1.56953800   -2.49431300    3.84255200
 H                 -1.35740500   -3.52639600    3.59187900
 C                 -0.93911300    5.54691900   -2.20451600
 H                 -1.36133000    6.54644100   -2.25694900
 C                 -2.80438300   -0.90504000    5.19385300
 H                 -3.53140400   -0.69533900    5.97363200
 C                  0.84380600   -5.84441200    2.75751300
 H                  1.05945200   -6.47660200    3.61428600
 C                  4.41279500    3.90336500   -2.66342600
 H                  4.56988900    4.97018200   -2.79719300
 C                  2.98073500   -0.91682800    5.36618800
 H                  2.89151500   -0.37231000    6.30208900
 C                  7.27404800   -3.53536900    0.66563200
 H                  7.49179000   -4.55980700    0.95490800
 C                 -7.28081200   -1.16155700    0.21602700
 H                 -8.12615600   -1.29862500   -0.45168000
 C                 -0.68775200    4.82598000   -3.37343800
 H                 -0.90919300    5.26307500   -4.34345200
 C                  8.01784100   -1.29123600    0.17947300
 H                  8.81642200   -0.56113000    0.08125900
 C                  0.60451000   -6.41457400    1.50366800
 H                  0.63741200   -7.49337700    1.37920400
 C                  3.22809700    4.66289600    1.10299100
 H                  4.03223100    5.16722100    0.57834500
 C                 -2.52516400   -2.22190200    4.82612900
 H                 -3.03636600   -3.04655300    5.31584400
 C                  0.33950200   -5.58808200    0.41312100
 H                  0.17344400   -6.01836500   -0.57083500
 C                  1.50826300   -0.19677600   -5.83075000
 H                  2.31033400   -0.43975700   -6.52202400
 C                  2.36545500    5.38115900    1.92995800
 Pd                -2.69699200   -2.93154500   -0.89476800
 P                 -2.76845700   -4.97153400   -2.21957500
 H                 -1.60408600   -5.50231200   -2.84985000
 H                 -3.24630000   -6.22462000   -1.73432900
 H                 -3.57893600   -4.94695000   -3.38950600
 P                 -3.60246000   -3.89893300    1.11326000
 H                 -3.75118800   -3.45010500    2.45538500
 H                 -4.92330500   -4.42231900    0.99837800
 H                 -2.99639600   -5.14244100    1.45926600
 Br                 2.59308900    7.27626800    2.12549000
          153
 3-8Ts' Charge = 1  Multiplicity = 1  E = -12660.875793 a.u.  G = -12659.824753 a.u.
 Os                -0.20287900   -0.00191600   -0.11186600
 Br                 2.52731400   -2.96797800    2.66266000
 P                  4.41095200   -1.20707900    0.30510500
 P                 -0.43537000   -1.85209700   -1.82333300
 P                  0.11744900    1.75807500    1.72832200
 C                 -2.05289800   -0.53490000    0.89030500
 C                  1.77533900   -1.68878400    1.39836900
 C                  1.05211300   -2.26050600   -2.89517000
 C                  0.43576200   -1.42033300    1.34598200
 C                 -0.85856100    3.35855300    1.68095000
 C                  1.83345400    2.47438100    1.92078200
 C                  1.91023200   -1.24376600   -3.33616900
 H                  1.78101700   -0.23625000   -2.96461300
 C                  2.60263900   -0.94709700    0.46350900
 C                  5.09579100   -0.33084100   -1.15717400
 C                 -1.49627300    1.11550300   -1.22529900
 C                 -3.05496300   -1.49492200   -2.84997800
 H                 -3.38675800   -1.68656600   -1.83205700
 C                 -1.84876000   -1.47135400    1.95371600
 H                 -2.67678400   -1.77423700    2.58623600
 C                 -3.78107900    0.90956300   -0.29711100
 C                  2.48401200    2.95327300    0.77398600
 H                  2.05213900    2.78178700   -0.20425800
 C                  0.32463400    2.73495000   -2.08854600
 C                 -1.68748700   -1.49650800   -3.16696100
 C                  4.02554900   -3.71331500   -0.85221900
 H                  3.23807300   -3.22976400   -1.42113900
 C                 -2.81512000    1.40899500   -1.24801800
 H                 -3.19238900    2.09194200   -2.00630200
 C                  4.28786100   -5.06797100   -1.05544600
 H                  3.70224500   -5.62024500   -1.78413700
 C                 -3.37343200   -0.06511900    0.63568800
 C                  5.38806500   -0.55425700    1.71445500
 C                 -0.58092900   -1.94525300    2.18009400
 H                 -0.37281700   -2.65165800    2.98143900
 C                  1.88673700   -0.06963200   -0.33236200
 H                  2.45233700    0.53788300   -1.03721600
 C                  1.51289200    2.84550100   -2.83744300
 H                  1.95901000    1.95388100   -3.27052100
 C                  5.11125300    1.07363500   -1.15875800
 H                  4.68261900    1.62859600   -0.33124100
 C                 -0.25970600    1.14755500    3.45773400
 C                 -1.30579100   -1.24010900   -4.49282300
 H                 -0.26064400   -1.24020300   -4.77796000
 C                 -5.13438100    1.54879800   -0.45163100
 C                 -1.40729000    1.55456900    4.15099100
 H                 -2.10774000    2.24814100    3.70427400
 C                 -0.30544800    1.40251600   -1.91995000
 H                 -0.12400400    0.77663000   -2.79346800
 C                  0.62210100    0.25707900    4.09285200
 H                  1.51626200   -0.07790300    3.58187800
 C                 -1.89363000   -4.33352700   -1.90066500
 H                 -2.50510500   -3.89494700   -2.67898200
 C                  5.29080400   -5.70725700   -0.32291400
 H                  5.48938400   -6.76356700   -0.47957500
 C                 -3.00102400    4.49554300    1.46921900
 H                 -4.07257600    4.43924800    1.30494900
 C                  6.29509400    1.05878200   -3.26951800
 H                  6.76667100    1.59803200   -4.08607500
 C                  4.77642000   -0.15248200    2.90680500
 H                  3.70066300   -0.20374500    3.01380200
 C                 -4.01355900   -1.27317200   -3.83894800
 H                 -5.06662400   -1.30271000   -3.57333600
 C                  3.65648700    3.70500700    0.88085400
 H                  4.11981400    4.10083200   -0.01912300
 C                 -2.37941100    5.73168900    1.65013800
 H                 -2.96479100    6.64667400    1.63305200
 C                 -0.89341800   -3.57945800   -1.26607500
 C                  6.94339500    0.40693300    3.82867400
 H                  7.54725800    0.77738600    4.65198300
 C                  5.78541100   -3.63141100    0.82063600
 H                  6.36065800   -3.08745700    1.56152700
 C                  5.55681400    0.32746700    3.96025900
 H                  5.07597700    0.64057700    4.88194300
 C                 -0.09701900   -4.20667200   -0.29445000
 H                  0.69947600   -3.65888900    0.19130100
 C                  4.77783300   -2.99148600    0.08696400
 C                 -0.24534000    4.60663100    1.87569900
 H                  0.82165700    4.68287400    2.03620800
 C                 -3.62434300   -1.01499000   -5.15526000
 H                 -4.37179900   -0.83774900   -5.92345900
 C                  7.55613800    0.02004500    2.63335500
 H                  8.63399300    0.09222200    2.52241200
 C                 -2.24734800    3.31986100    1.48711500
 H                 -2.74645200    2.36980000    1.35874800
 C                  0.36746000   -0.20827900    5.38248200
 H                  1.06971300   -0.89072900    5.85373900
 C                  6.29663400   -0.33652600   -3.25994800
 H                  6.77049100   -0.88815300   -4.06670900
 C                  5.69959600    1.76213500   -2.21844900
 H                  5.70690000    2.84828000   -2.21441600
 C                 -0.24528100    3.92359800   -1.59933200
 H                 -1.17910300    3.88353400   -1.05098700
 C                  6.78378600   -0.45337400    1.57445200
 H                  7.26614700   -0.73491800    0.64299900
 C                 -5.72774800    1.55876200   -1.73002600
 H                 -5.24851900    1.01720800   -2.54032400
 C                  5.69529000   -1.03501100   -2.20999800
 H                  5.70432500   -2.11870300   -2.21476500
 C                  2.91614200   -1.50629100   -4.26926200
 H                  3.56166700   -0.69908000   -4.60130200
 C                 -5.76555600    2.27857100    0.56961700
 H                 -5.32812500    2.31381900    1.55796000
 C                  2.13083300    4.07539800   -3.05993500
 H                  3.04191600    4.13583500   -3.64594500
 C                  2.39060300    2.76014000    3.17698800
 H                  1.89166400    2.44019800    4.08382300
 C                 -7.54989600    2.93889800   -0.93649400
 H                 -8.47893000    3.47108500   -1.11967600
 C                 -0.78415600    0.19794700    6.06019900
 H                 -0.98652400   -0.16569400    7.06360600
 C                  1.23322200   -3.55589700   -3.40913000
 H                  0.57721900   -4.36275200   -3.10545200
 C                  4.21239700    3.97090200    2.13406100
 H                  5.12186000    4.55923600    2.21685800
 C                  3.09019400   -2.79748600   -4.76883700
 H                  3.86939900   -3.00339200   -5.49738900
 C                 -2.09847600   -5.67362600   -1.55942100
 H                 -2.87392200   -6.23953600   -2.06836800
 C                 -1.00130900    5.78066100    1.85981900
 H                 -0.50436500    6.73472700    2.01294300
 C                 -2.26792100   -0.99109800   -5.47551500
 H                 -1.94941200   -0.79216300   -6.49488000
 C                 -6.92465600    2.23260700   -1.96690800
 H                 -7.36501300    2.21031400   -2.96028100
 C                  6.03689200   -4.98825100    0.61331200
 H                  6.81436500   -5.48243600    1.18834000
 C                  3.57724400    3.49136300    3.27961700
 H                  3.98898200    3.70526900    4.26212600
 C                 -6.96011800    2.96128700    0.32723000
 H                 -7.42605900    3.51730200    1.13634000
 C                 -1.30728200   -6.28413800   -0.58589500
 H                 -1.46645900   -7.32668200   -0.32522200
 C                  0.35967800    5.16180500   -1.81150300
 H                 -0.09816700    6.06385500   -1.42117200
 C                  2.24774500   -3.82120800   -4.33195000
 H                  2.36535000   -4.82893700   -4.72114100
 C                 -0.30448400   -5.54497500    0.04461200
 H                  0.32511500   -6.00699600    0.80004100
 C                 -1.66775100    1.07932100    5.43953600
 H                 -2.56574100    1.40841600    5.95440900
 C                  1.55100200    5.22906300   -2.53300300
 Pd                -4.86916400   -1.54005200    0.31990200
 Br                -4.73020600   -0.09962600    2.58061400
 P                 -4.21323700   -3.80614800    0.98458800
 H                 -4.67269500   -4.12048300    2.29716000
 H                 -4.74950900   -4.98062100    0.37818200
 H                 -2.90215000   -4.33262600    1.17129200
 P                 -7.12041700   -1.63004200   -0.61525600
 H                 -7.38995400   -1.45230200   -2.00470400
 H                 -7.97982700   -2.75803800   -0.46027700
 H                 -8.06234800   -0.66518800   -0.16057100
 Br                 2.39513200    6.92815000   -2.81964300
          153
 3-13Ts' Charge = 1  Multiplicity = 1  E = -12660.868950 a.u.  G = -12659.820765 a.u.
 Os                 0.79743200    0.90601300    0.01589700
 P                 -0.07859000    0.44667700   -2.33796900
 P                  1.90711200    1.40382600    2.22817400
 Br                 1.55744700    5.57207300   -1.74381000
 Br                 4.93747800   -1.40118800   -1.21451900
 Br                -5.72394400   -3.22401800   -0.59221100
 P                  2.50685000   -3.55951100    0.05218100
 C                  3.16854100   -0.82728600   -0.63280800
 C                  2.20460000   -1.75695900   -0.07398600
 C                 -1.57722000    1.39057100   -2.95437400
 C                  1.00908300   -1.16673800    0.29998700
 H                  0.23320200   -1.82558200    0.68942300
 C                  2.25365100   -0.11485600   -3.83793200
 H                  2.31713900   -1.00051900   -3.21759900
 C                  3.74776900   -3.99154800    1.33209500
 C                 -2.70564700    0.72784800   -3.46483100
 H                 -2.75638300   -0.35299400   -3.47458600
 C                  1.19250400    0.79091500   -3.67214100
 C                 -0.49628500    4.32402900   -0.17390300
 C                 -1.12184700    5.67450800   -0.09371900
 C                  3.44796900    1.56917400   -1.28237400
 H                  4.44847400    1.47770400   -1.70107500
 C                  2.77706300    2.76856000   -1.28709000
 H                  3.24720800    3.65309500   -1.70290000
 C                 -0.45365400    6.76608300    0.48881700
 H                  0.57010300    6.65130900    0.82958500
 C                  1.45740300    2.81882300   -0.72986500
 C                  0.75630100    4.05943000   -0.74230600
 C                 -1.25887800    3.28038300    0.44296300
 H                 -2.19161000    3.57229700    0.92077900
 C                  2.74981600    0.46927500   -0.73314600
 C                 -0.82115000    2.00318600    0.55753200
 C                  4.67404900    1.47207800    1.65621600
 H                  4.52359400    0.45737100    1.30863400
 C                  0.63140500    3.83248900    2.93539100
 H                  0.96630200    4.17060400    1.96277100
 C                  3.82810500    3.51982600    2.60787700
 H                  3.02768700    4.11254300    3.03159100
 C                  3.58996900    2.21586700    2.15297700
 C                  0.92819100    2.52692500    3.35941300
 C                 -1.57088000    2.79379500   -2.95761500
 H                 -0.71952600    3.33385600   -2.56659900
 C                  2.23411700   -0.01091200    3.40518600
 C                 -3.78928800    1.45135900   -3.96790100
 H                 -4.64905700    0.91535400   -4.36065900
 C                  1.38660200   -1.96021700    4.58804700
 H                  0.61096000   -2.71017100    4.72028200
 C                 -3.76475600    2.84614700   -3.98064900
 H                 -4.60388900    3.40594900   -4.38402500
 C                  1.26967800   -1.01609000    3.56481100
 H                  0.41099000   -1.04333300    2.90432200
 C                 -1.30727700   -2.06795900   -1.85814700
 H                 -1.44599100   -1.71168800   -0.84603100
 C                  0.27605700   -5.27694800   -0.30094400
 H                  0.58396600   -5.37988700   -1.33461500
 C                  0.98688800   -4.44983300    0.57819200
 C                 -0.60464800   -1.28925700   -2.78669400
 C                  3.02218900   -4.25226100   -1.56704700
 C                 -1.17131300    0.78437700    1.16712000
 H                 -0.88912300    0.70930400    2.21860400
 C                 -2.36536700   -0.03755800    0.86749100
 C                 -3.34186200    0.33747100   -0.06698200
 H                 -3.21969800    1.25590200   -0.63111600
 C                 -0.53089300   -5.05507100    2.36825900
 H                 -0.83469800   -4.97855500    3.40852500
 C                 -1.04701100   -2.98059300   -4.48060000
 H                 -0.95480700   -3.32028000   -5.50886100
 C                  3.32709400    0.01659000    4.28569300
 H                  4.07436700    0.79711500    4.20325000
 C                  6.17618100    3.32963900    2.03783800
 H                  7.17197300    3.76118300    1.99161900
 C                  2.61176000   -4.44697800   -3.94536300
 H                  2.01335700   -4.19434900   -4.81526700
 C                 -0.48648300   -1.75741400   -4.10811000
 H                  0.02427000   -1.16159700   -4.85547600
 C                  3.23441300    0.09942600   -4.80560500
 H                  4.04110300   -0.62008100   -4.91582600
 C                 -2.45356100    5.84783000   -0.50767000
 H                 -2.98860000    5.01180200   -0.94815100
 C                  2.25707300   -3.93038100   -2.69904900
 H                  1.39198000   -3.27978200   -2.61831000
 C                 -0.08312300    4.70659200    3.75497200
 H                 -0.29997800    5.71097200    3.40292900
 C                  5.95442700    2.02154800    1.60237700
 H                  6.77628800    1.42496700    1.21594500
 C                  1.13887200    1.91377500   -4.50813900
 H                  0.32569400    2.62403600   -4.43306600
 C                 -1.74814400   -3.74797200   -3.54665800
 H                 -2.20121000   -4.68999200   -3.84336700
 C                 -4.46139500   -0.46313100   -0.31600100
 H                 -5.15891600   -0.18880900   -1.10041300
 C                  4.86233100   -5.70065100    2.63994800
 H                  5.00465500   -6.74742500    2.89156200
 C                  4.14348000   -5.08304700   -1.69236400
 H                  4.75519100   -5.32031500   -0.82931900
 C                 -1.09523400    7.99395400    0.63965000
 H                 -0.56523900    8.82321800    1.09979600
 C                  5.60316400   -4.71163400    3.29357200
 H                  6.32759500   -4.99096600    4.05315800
 C                 -2.64886100    3.51505600   -3.47615000
 H                 -2.60807800    4.60053800   -3.48344000
 C                  4.47887200   -3.00244000    1.99938300
 H                  4.32393300   -1.95589800    1.76791900
 C                  3.93048400   -5.34511100    1.66676200
 H                  3.34337100   -6.11754100    1.17835600
 C                 -2.40999000    8.16123300    0.19686900
 H                 -2.90436900    9.12239500    0.30542800
 C                 -4.67093300   -1.62445900    0.45079400
 C                  0.58448900   -4.34977400    1.92023000
 H                  1.15114100   -3.73929500    2.61475700
 C                 -2.56952500   -1.24634500    1.57587100
 H                 -1.83839900   -1.55585300    2.32002100
 C                 -3.68193700   -2.04741600    1.36171000
 H                 -3.80925300   -2.97476600    1.91096500
 C                  3.45545300   -0.94359000    5.29209400
 H                  4.30764400   -0.90228400    5.96484700
 C                  2.48339800   -1.93155700    5.45137600
 H                  2.57306000   -2.66590500    6.24676300
 C                 -1.87982200   -3.28606200   -2.23659400
 H                 -2.44263600   -3.85799100   -1.50581200
 C                  5.11036900    4.07297000    2.54239700
 H                  5.27061200    5.08673000    2.89842500
 C                  4.49222300   -5.59152100   -2.94417100
 H                  5.36507800   -6.23084000   -3.03764500
 C                  0.47794700    2.11563100    4.62379800
 H                  0.69065000    1.11967900    4.99179000
 C                 -0.83536500   -5.98734300    0.15886500
 H                 -1.37701800   -6.63393100   -0.52510900
 C                  3.72837700   -5.27649000   -4.06996500
 H                  4.00471800   -5.67398700   -5.04225300
 C                  2.12833500    2.13315900   -5.47129900
 H                  2.06448500    3.01183200   -6.10690900
 C                  5.40438900   -3.36692700    2.97932800
 H                  5.96574800   -2.59515300    3.49671200
 C                 -3.08572900    7.08498400   -0.37972500
 H                 -4.10918100    7.20429700   -0.72420900
 C                 -1.24298600   -5.87523000    1.48828000
 H                 -2.10477900   -6.43405100    1.84150200
 C                  3.17996100    1.23092100   -5.62244300
 H                  3.94535100    1.40169500   -6.37424200
 C                 -0.53020000    4.28517800    5.00828300
 H                 -1.09185700    4.96297100    5.64482700
 C                 -0.24990900    2.98819500    5.43669000
 H                 -0.58940500    2.64884600    6.41135600
 Pd                -6.72107100   -1.37317400    1.03730200
 P                 -6.47386800   -1.20881200    3.41705400
 H                 -7.56752600   -1.09291200    4.32645100
 H                 -5.77864700   -2.20401100    4.17001900
 H                 -5.73954500   -0.10958400    3.95227300
 P                 -8.91783200   -0.68202300    0.26960500
 H                 -9.58256200   -1.41156100   -0.75841400
 H                -10.04396600   -0.61512800    1.14079200
 H                 -9.12412500    0.60432100   -0.31028700
          153
 3-3C' Charge = 1  Multiplicity = 1  E = -12660.923920 a.u.  G = -12659.865415 a.u.
 Os                 0.90928900   -0.27115400    0.04033300
 Br                 3.82258100   -3.65232100   -2.35797900
 Br                -4.23742900   -0.84477000   -3.28639700
 P                 -3.60645400    1.13482900    0.81711700
 P                  0.85615700   -1.75111700    2.19955600
 P                  1.09983800    1.10829100   -2.06242600
 C                  1.85930400   -1.84947300   -1.08613700
 C                 -2.07575300   -0.91465600   -0.54383100
 C                 -0.45254000   -1.33458100    3.47493700
 C                 -0.77048500   -1.31734800   -0.83837800
 C                  2.77041000    1.85414300   -2.48649600
 C                  0.04533600    2.64288500   -2.21062400
 C                 -0.62338600    0.00469900    3.86555000
 H                 -0.08359600    0.79427300    3.35416700
 C                 -2.05536300    0.26981900    0.29039300
 C                 -3.31341200    2.37931600    2.15133700
 C                  2.83396100    0.10285300    0.60366100
 C                  3.54438300   -2.34745200    2.87900500
 H                  3.51574300   -2.97475600    1.99512400
 C                  0.94495200   -2.60274000   -1.86377500
 H                  1.27816900   -3.39155200   -2.53088100
 C                  4.28902900   -1.60614400   -0.39903400
 C                 -0.09507700    3.47990000   -1.09445200
 H                  0.28685800    3.16577700   -0.13100100
 C                  2.41635400    2.55409700    1.33402800
 C                  2.41003700   -1.60900900    3.25783000
 C                 -4.56276400   -0.81465600    2.58624700
 H                 -3.59043500   -0.73538200    3.06146800
 C                  4.05580900   -0.43847000    0.41701600
 H                  4.91469000   -0.04116800    0.95466900
 C                 -5.52387000   -1.67162700    3.12490800
 H                 -5.28844500   -2.24717600    4.01537600
 C                  3.25292900   -2.19136500   -1.11351500
 C                 -4.37657400    2.15845600   -0.49787400
 C                 -0.41243500   -2.34121000   -1.72755500
 H                 -1.15261100   -2.90366700   -2.29789000
 C                 -0.79621500    0.74702300    0.66345600
 H                 -0.77678200    1.63866600    1.28928800
 C                  1.66242000    3.38715300    2.18652900
 H                  0.88272600    2.94900000    2.80498500
 C                 -2.55658900    3.52079700    1.83419800
 H                 -2.11730400    3.63088800    0.84889100
 C                  0.70621800    0.21592200   -3.66471500
 C                  2.48189400   -0.82269900    4.41597100
 H                  1.62504700   -0.25180900    4.75236000
 C                  5.69409100   -2.11266800   -0.36514800
 C                  1.68998700   -0.11495700   -4.60818600
 H                  2.72900300    0.13626800   -4.43970900
 C                  2.17078200    1.09120400    1.36334700
 H                  1.90502200    0.79097500    2.37524400
 C                 -0.62809300   -0.11364300   -3.94967000
 H                 -1.41693700    0.12257300   -3.24546700
 C                  1.17912500   -4.39424400    3.22177900
 H                  1.57588400   -3.91525000    4.10949600
 C                 -6.78100600   -1.78455000    2.52392300
 H                 -7.52914700   -2.44794800    2.94867200
 C                  5.14045900    1.53720400   -2.95366400
 H                  5.99726600    0.87200000   -3.01296200
 C                 -2.99835700    4.43733700    4.03093100
 H                 -2.87967200    5.23598900    4.75773200
 C                 -3.82326200    2.25323800   -1.77657000
 H                 -2.94632600    1.67587700   -2.03884500
 C                  4.71118600   -2.30711100    3.64241400
 H                  5.57252200   -2.89182500    3.33172300
 C                 -0.68783000    4.73978200   -1.21849900
 H                 -0.76987400    5.38175700   -0.34564800
 C                  5.27407500    2.88854900   -3.27922800
 H                  6.23729100    3.28574900   -3.58771400
 C                  0.75340200   -3.62048600    2.12367600
 C                 -5.54194500    3.84418600   -2.39638100
 H                 -5.99381900    4.49954100   -3.13584500
 C                 -6.12133700   -0.17300800    0.83816200
 H                 -6.36533200    0.40060500   -0.04836800
 C                 -4.40920400    3.10004600   -2.72305800
 H                 -3.97497400    3.17165700   -3.71516700
 C                  0.23078500   -4.28160500    1.00721900
 H                 -0.11317700   -3.71146700    0.15838000
 C                 -4.86325300   -0.05073700    1.44578200
 C                  2.91478600    3.20951300   -2.82357000
 H                  2.06890900    3.88354900   -2.78834600
 C                  4.77344500   -1.51622800    4.79261800
 H                  5.68259100   -1.48481600    5.38688900
 C                 -6.09284500    3.75523500   -1.11257300
 H                 -6.97016200    4.33962900   -0.85049800
 C                  3.90227300    1.02724700   -2.55480700
 H                  3.81765500   -0.02508400   -2.31932700
 C                 -0.96741300   -0.75255900   -5.14372700
 H                 -2.00937700   -0.99330400   -5.33171700
 C                 -3.77052400    3.31738200    4.34029300
 H                 -4.25930000    3.23880500    5.30709100
 C                 -2.39358800    4.53763700    2.77454900
 H                 -1.80910900    5.41641000    2.51766900
 C                  3.44184900    3.15393300    0.58149500
 H                  4.06650200    2.54076500   -0.05808000
 C                 -5.51009400    2.92248500   -0.16089200
 H                 -5.93118200    2.87373500    0.83905700
 C                  5.99339400   -3.41335900    0.07719600
 H                  5.18717700   -4.08844600    0.34556100
 C                 -3.92981200    2.28899400    3.40685700
 H                 -4.54498600    1.43622500    3.66550700
 C                 -1.45348500    0.33471900    4.93917500
 H                 -1.54815300    1.37304000    5.24121300
 C                  6.75891300   -1.25024300   -0.67550500
 H                  6.54933400   -0.23431000   -0.99690400
 C                  1.89653000    4.75911600    2.27167300
 H                  1.30372800    5.37564100    2.93943300
 C                 -0.42645700    3.09428700   -3.45462500
 H                 -0.30570300    2.48510100   -4.34246200
 C                  8.36629500   -2.98447700   -0.15580000
 H                  9.39600700   -3.32286400   -0.07808300
 C                  0.02126800   -1.08688600   -6.07182600
 H                 -0.24343800   -1.58663700   -6.99993700
 C                 -1.17647100   -2.32674900    4.15515100
 H                 -1.07269000   -3.36941800    3.88103500
 C                 -1.16081600    5.17714200   -2.45715500
 H                 -1.61975800    6.15728800   -2.55298300
 C                 -2.15465300   -0.66279500    5.62135600
 H                 -2.79626900   -0.40502200    6.45943100
 C                  1.09460400   -5.78591200    3.18805800
 H                  1.42829900   -6.36182100    4.04692600
 C                  4.15615300    3.72077600   -3.21210500
 H                  4.24072800    4.77383300   -3.46700500
 C                  3.65637400   -0.77393100    5.17456800
 H                  3.68552000   -0.16031000    6.07098400
 C                  7.31628100   -3.84247100    0.18560400
 H                  7.52650900   -4.84909400    0.53741100
 C                 -7.07406500   -1.04090700    1.37870100
 H                 -8.04786900   -1.12597900    0.90501900
 C                 -1.03163800    4.34808000   -3.57329700
 H                 -1.38734100    4.67922000   -4.54521600
 C                  8.08258500   -1.68725000   -0.58731000
 H                  8.89060600   -1.00932800   -0.84914000
 C                  0.58999500   -6.43523500    2.05730700
 H                  0.53588000   -7.52007100    2.02805200
 C                  3.69233900    4.52514500    0.65377900
 H                  4.49246400    4.96165800    0.06558200
 C                 -2.02428900   -1.99182300    5.21590500
 H                 -2.56717300   -2.77867200    5.73280900
 C                  0.15620000   -5.67864800    0.96942800
 H                 -0.23817400   -6.16857800    0.08294600
 C                  1.35080800   -0.76683400   -5.79775800
 H                  2.13344700   -1.01111900   -6.51117100
 C                  2.91182400    5.31598600    1.49465600
 Pd                -3.72085400   -2.05264400   -1.10789300
 P                 -5.56550100   -3.46499800   -1.83230100
 H                 -6.80561000   -2.82676300   -2.07817200
 H                 -5.39632900   -4.12450000   -3.07433300
 H                 -6.03759700   -4.56764200   -1.06589900
 P                 -3.31942700   -3.39936200    0.71318700
 H                 -2.53452200   -2.96117900    1.80123800
 H                 -4.45497000   -3.90015400    1.39361700
 H                 -2.67041500   -4.61854700    0.40304000
 Br                 3.25654700    7.21196700    1.60162900
          153
 3-8C' Charge = 1  Multiplicity = 1  E = -12660.931845 a.u.  G = -12659.874605 a.u.
 Os                 0.11946700   -0.03517600    0.32219300
 Br                -2.27351600   -3.53768700   -2.14361900
 P                 -4.44350900   -1.19522400   -0.65012500
 P                  0.00313300   -1.57697000    2.32764400
 P                  0.12280100    1.43917800   -1.78126100
 C                  2.08448900   -0.79575400   -0.23974600
 C                 -1.67978000   -2.00612200   -1.07987100
 C                 -1.66063400   -1.86601100    3.13144600
 C                 -0.35291700   -1.74422500   -0.87442300
 C                  1.28161300    2.91196800   -1.81285200
 C                 -1.48770500    2.29638200   -2.21843800
 C                 -2.53461200   -0.78347200    3.31148000
 H                 -2.30888200    0.17465300    2.85918800
 C                 -2.61361200   -1.06241800   -0.49244800
 C                 -5.30450200   -0.04438100    0.49391700
 C                  1.30241500    1.24343500    1.37157800
 C                  2.34350900   -0.78936700    3.71917300
 H                  2.82557300   -0.90896300    2.75746100
 C                  1.99144300   -1.97661500   -1.05316100
 H                  2.88986000   -2.46639300   -1.42420600
 C                  3.66446400    0.80546300    0.83265300
 C                 -2.21717200    2.94600900   -1.21208300
 H                 -1.91864400    2.84646900   -0.17667300
 C                 -0.48318400    3.04295600    1.86738200
 C                  0.96155400   -1.00754400    3.83481700
 C                 -4.46744600   -3.53051600    0.88347100
 H                 -3.69550100   -3.04464800    1.47094200
 C                  2.61847300    1.55356600    1.47170100
 H                  2.91838900    2.37975800    2.11477000
 C                 -4.91072900   -4.80388300    1.24215400
 H                 -4.48087700   -5.29556900    2.10983900
 C                  3.40642400   -0.32736400    0.04590800
 C                 -5.04920500   -0.74474100   -2.32464400
 C                  0.75295800   -2.46914900   -1.37950700
 H                  0.63962100   -3.34873000   -2.01120500
 C                 -1.98950200   -0.04350800    0.20512900
 H                 -2.62861700    0.71126300    0.65994500
 C                 -1.71071200    3.30758600    2.50943800
 H                 -2.26045200    2.49026600    2.96900400
 C                 -5.26985000    1.33365800    0.22573500
 H                 -4.71307100    1.71261300   -0.62359800
 C                  0.52891200    0.64831600   -3.43850400
 C                  0.35987000   -0.83540400    5.09198900
 H                 -0.70241500   -0.99425800    5.22599100
 C                  5.05044200    1.28753400    1.11416400
 C                  1.41930800    1.24435500   -4.34482700
 H                  1.97099800    2.13457900   -4.07381700
 C                  0.05490300    1.66213800    1.87892900
 H                 -0.27358000    1.14213900    2.77810900
 C                 -0.17977300   -0.48878500   -3.85821800
 H                 -0.88764200   -0.95749900   -3.19015900
 C                  1.70641400   -3.85516000    2.81094600
 H                  2.25809000   -3.23837800    3.50957400
 C                 -5.89820100   -5.44199100    0.48693100
 H                 -6.23878100   -6.43514800    0.76599900
 C                  3.56266900    3.75875500   -1.80198300
 H                  4.62899000    3.56635000   -1.72526200
 C                 -6.72404100    1.73887900    2.11718600
 H                 -7.27886600    2.43035400    2.74508200
 C                 -4.18143700   -0.67354700   -3.42103900
 H                 -3.12190700   -0.85670400   -3.29826000
 C                  3.10721700   -0.43494500    4.83343900
 H                  4.17809700   -0.28716900    4.72459800
 C                 -3.30932100    3.75776600   -1.53120500
 H                 -3.84522800    4.26846200   -0.73574600
 C                  3.09608500    5.06104700   -1.99538800
 H                  3.79657200    5.88883900   -2.06645300
 C                  0.61020100   -3.33605400    2.10620900
 C                 -6.04352600   -0.10309500   -4.85901200
 H                 -6.42933400    0.14524400   -5.84367700
 C                 -6.01236300   -3.52682500   -0.99175300
 H                 -6.44239700   -3.04638700   -1.86329000
 C                 -4.68123700   -0.35322300   -4.68512700
 H                 -4.00036300   -0.29618100   -5.52932000
 C                 -0.09865600   -4.19475200    1.24861400
 H                 -0.96797500   -3.83217400    0.71535600
 C                 -5.01882100   -2.88977500   -0.23605000
 C                  0.82280000    4.22217200   -2.02046000
 H                 -0.23501300    4.43047800   -2.11717700
 C                  2.49819400   -0.26262200    6.07840500
 H                  3.09140900    0.02032500    6.94364600
 C                 -6.91041900   -0.16263100   -3.76411200
 H                 -7.96961700    0.04062800   -3.89228600
 C                  2.66432200    2.69265400   -1.71096000
 H                  3.04871400    1.68652600   -1.59529000
 C                  0.00458100   -1.02333900   -5.13455800
 H                 -0.55727900   -1.90492200   -5.43199600
 C                 -6.77321400    0.36778700    2.37439700
 H                 -7.36655700   -0.01318700    3.20051200
 C                 -5.97085800    2.22030800    1.04246500
 H                 -5.93942300    3.28484900    0.82913000
 C                  0.21571100    4.13902000    1.32902200
 H                  1.17773900    3.98102900    0.85566900
 C                 -6.41887500   -0.47752500   -2.49762500
 H                 -7.09840500   -0.51125300   -1.65184000
 C                  5.43369600    1.61569800    2.42948400
 H                  4.72234100    1.49695800    3.24100500
 C                 -6.06408600   -0.52685300    1.56887200
 H                 -6.11616900   -1.58841500    1.78016100
 C                 -3.68141700   -0.91562600    4.09802300
 H                 -4.33768000   -0.06174500    4.23466600
 C                  5.99812300    1.46457100    0.08770400
 H                  5.71746200    1.26284600   -0.93996100
 C                 -2.23671200    4.59658600    2.58994900
 H                 -3.18255600    4.76989200    3.09279500
 C                 -1.89561800    2.45984600   -3.55244300
 H                 -1.34874100    1.98584000   -4.35822400
 C                  7.65537400    2.23012400    1.68429100
 H                  8.65636400    2.59219400    1.90297500
 C                  0.90006900   -0.42582100   -6.02432000
 H                  1.04214200   -0.83760200   -7.01989100
 C                 -1.96709600   -3.08868500    3.75146900
 H                 -1.30134400   -3.93799800    3.65421800
 C                 -3.70871800    3.91185300   -2.86056700
 H                 -4.55943300    4.54080500   -3.10827900
 C                 -3.98168400   -2.13719300    4.70485300
 H                 -4.87325700   -2.23941100    5.31736100
 C                  2.09806800   -5.18777400    2.64142500
 H                  2.94763200   -5.56778100    3.20256400
 C                  1.72384500    5.28732700   -2.10732400
 H                  1.34511100    6.29316500   -2.26882600
 C                  1.12237700   -0.45746700    6.20077000
 H                  0.63380800   -0.32564000    7.16234300
 C                  6.72345500    2.06879700    2.71301400
 H                  6.99703700    2.30086300    3.73900800
 C                 -6.44725000   -4.80226700   -0.62697500
 H                 -7.21508600   -5.29411500   -1.21710400
 C                 -3.00246700    3.25273200   -3.86777600
 H                 -3.30086300    3.36216500   -4.90689900
 C                  7.28325900    1.93544000    0.37022900
 H                  7.99057400    2.07885400   -0.44286900
 C                  1.39572000   -6.02626000    1.77529700
 H                  1.69798100   -7.06221200    1.64889600
 C                 -0.29304500    5.43610300    1.40085200
 H                  0.26890900    6.26222300    0.97810300
 C                 -3.12362800   -3.22376100    4.52444900
 H                 -3.34131800   -4.17771900    4.99721200
 C                  0.28945700   -5.52533000    1.08501200
 H                 -0.27796300   -6.16921500    0.41830700
 C                  1.60217000    0.71103000   -5.62417600
 H                  2.29538600    1.19539900   -6.30673100
 C                 -1.52019100    5.65166600    2.02588300
 Pd                 5.06900500   -1.40573600   -0.70093000
 Br                 4.85300300   -0.44852800   -3.06906100
 P                  5.23224400   -2.35389700    1.38075400
 H                  6.35163200   -3.18625500    1.63613700
 H                  5.30606200   -1.50516600    2.51034100
 H                  4.19266000   -3.22227800    1.79086200
 P                  6.95000100   -2.62078800   -1.63265400
 H                  7.75442900   -3.50343100   -0.85778600
 H                  6.67754900   -3.48731500   -2.72114300
 H                  7.98745100   -1.85493100   -2.22148500
 Br                -2.23032400    7.44293000    2.13143400
          153
 3-13C' Charge = 1  Multiplicity = 1  E = -12660.924532 a.u.  G = -12659.871566 a.u.
 Os                 0.79743200    0.90601300    0.01589700
 P                 -0.07859000    0.44667700   -2.33796900
 P                  1.90711200    1.40382600    2.22817400
 Br                 1.55744700    5.57207300   -1.74381000
 Br                 4.93747800   -1.40118800   -1.21451900
 Br                -5.72394400   -3.22401800   -0.59221100
 P                  2.50685000   -3.55951100    0.05218100
 C                  3.16854100   -0.82728600   -0.63280800
 C                  2.20460000   -1.75695900   -0.07398600
 C                 -1.57722000    1.39057100   -2.95437400
 C                  1.00908300   -1.16673800    0.29998700
 H                  0.23320200   -1.82558200    0.68942300
 C                  2.25365100   -0.11485600   -3.83793200
 H                  2.31713900   -1.00051900   -3.21759900
 C                  3.74776900   -3.99154800    1.33209500
 C                 -2.70564700    0.72784800   -3.46483100
 H                 -2.75638300   -0.35299400   -3.47458600
 C                  1.19250400    0.79091500   -3.67214100
 C                 -0.49628500    4.32402900   -0.17390300
 C                 -1.12184700    5.67450800   -0.09371900
 C                  3.44796900    1.56917400   -1.28237400
 H                  4.44847400    1.47770400   -1.70107500
 C                  2.77706300    2.76856000   -1.28709000
 H                  3.24720800    3.65309500   -1.70290000
 C                 -0.45365400    6.76608300    0.48881700
 H                  0.57010300    6.65130900    0.82958500
 C                  1.45740300    2.81882300   -0.72986500
 C                  0.75630100    4.05943000   -0.74230600
 C                 -1.25887800    3.28038300    0.44296300
 H                 -2.19161000    3.57229700    0.92077900
 C                  2.74981600    0.46927500   -0.73314600
 C                 -0.82115000    2.00318600    0.55753200
 C                  4.67404900    1.47207800    1.65621600
 H                  4.52359400    0.45737100    1.30863400
 C                  0.63140500    3.83248900    2.93539100
 H                  0.96630200    4.17060400    1.96277100
 C                  3.82810500    3.51982600    2.60787700
 H                  3.02768700    4.11254300    3.03159100
 C                  3.58996900    2.21586700    2.15297700
 C                  0.92819100    2.52692500    3.35941300
 C                 -1.57088000    2.79379500   -2.95761500
 H                 -0.71952600    3.33385600   -2.56659900
 C                  2.23411700   -0.01091200    3.40518600
 C                 -3.78928800    1.45135900   -3.96790100
 H                 -4.64905700    0.91535400   -4.36065900
 C                  1.38660200   -1.96021700    4.58804700
 H                  0.61096000   -2.71017100    4.72028200
 C                 -3.76475600    2.84614700   -3.98064900
 H                 -4.60388900    3.40594900   -4.38402500
 C                  1.26967800   -1.01609000    3.56481100
 H                  0.41099000   -1.04333300    2.90432200
 C                 -1.30727700   -2.06795900   -1.85814700
 H                 -1.44599100   -1.71168800   -0.84603100
 C                  0.27605700   -5.27694800   -0.30094400
 H                  0.58396600   -5.37988700   -1.33461500
 C                  0.98688800   -4.44983300    0.57819200
 C                 -0.60464800   -1.28925700   -2.78669400
 C                  3.02218900   -4.25226100   -1.56704700
 C                 -1.17131300    0.78437700    1.16712000
 H                 -0.88912300    0.70930400    2.21860400
 C                 -2.36536700   -0.03755800    0.86749100
 C                 -3.34186200    0.33747100   -0.06698200
 H                 -3.21969800    1.25590200   -0.63111600
 C                 -0.53089300   -5.05507100    2.36825900
 H                 -0.83469800   -4.97855500    3.40852500
 C                 -1.04701100   -2.98059300   -4.48060000
 H                 -0.95480700   -3.32028000   -5.50886100
 C                  3.32709400    0.01659000    4.28569300
 H                  4.07436700    0.79711500    4.20325000
 C                  6.17618100    3.32963900    2.03783800
 H                  7.17197300    3.76118300    1.99161900
 C                  2.61176000   -4.44697800   -3.94536300
 H                  2.01335700   -4.19434900   -4.81526700
 C                 -0.48648300   -1.75741400   -4.10811000
 H                  0.02427000   -1.16159700   -4.85547600
 C                  3.23441300    0.09942600   -4.80560500
 H                  4.04110300   -0.62008100   -4.91582600
 C                 -2.45356100    5.84783000   -0.50767000
 H                 -2.98860000    5.01180200   -0.94815100
 C                  2.25707300   -3.93038100   -2.69904900
 H                  1.39198000   -3.27978200   -2.61831000
 C                 -0.08312300    4.70659200    3.75497200
 H                 -0.29997800    5.71097200    3.40292900
 C                  5.95442700    2.02154800    1.60237700
 H                  6.77628800    1.42496700    1.21594500
 C                  1.13887200    1.91377500   -4.50813900
 H                  0.32569400    2.62403600   -4.43306600
 C                 -1.74814400   -3.74797200   -3.54665800
 H                 -2.20121000   -4.68999200   -3.84336700
 C                 -4.46139500   -0.46313100   -0.31600100
 H                 -5.15891600   -0.18880900   -1.10041300
 C                  4.86233100   -5.70065100    2.63994800
 H                  5.00465500   -6.74742500    2.89156200
 C                  4.14348000   -5.08304700   -1.69236400
 H                  4.75519100   -5.32031500   -0.82931900
 C                 -1.09523400    7.99395400    0.63965000
 H                 -0.56523900    8.82321800    1.09979600
 C                  5.60316400   -4.71163400    3.29357200
 H                  6.32759500   -4.99096600    4.05315800
 C                 -2.64886100    3.51505600   -3.47615000
 H                 -2.60807800    4.60053800   -3.48344000
 C                  4.47887200   -3.00244000    1.99938300
 H                  4.32393300   -1.95589800    1.76791900
 C                  3.93048400   -5.34511100    1.66676200
 H                  3.34337100   -6.11754100    1.17835600
 C                 -2.40999000    8.16123300    0.19686900
 H                 -2.90436900    9.12239500    0.30542800
 C                 -4.67093300   -1.62445900    0.45079400
 C                  0.58448900   -4.34977400    1.92023000
 H                  1.15114100   -3.73929500    2.61475700
 C                 -2.56952500   -1.24634500    1.57587100
 H                 -1.83839900   -1.55585300    2.32002100
 C                 -3.68193700   -2.04741600    1.36171000
 H                 -3.80925300   -2.97476600    1.91096500
 C                  3.45545300   -0.94359000    5.29209400
 H                  4.30764400   -0.90228400    5.96484700
 C                  2.48339800   -1.93155700    5.45137600
 H                  2.57306000   -2.66590500    6.24676300
 C                 -1.87982200   -3.28606200   -2.23659400
 H                 -2.44263600   -3.85799100   -1.50581200
 C                  5.11036900    4.07297000    2.54239700
 H                  5.27061200    5.08673000    2.89842500
 C                  4.49222300   -5.59152100   -2.94417100
 H                  5.36507800   -6.23084000   -3.03764500
 C                  0.47794700    2.11563100    4.62379800
 H                  0.69065000    1.11967900    4.99179000
 C                 -0.83536500   -5.98734300    0.15886500
 H                 -1.37701800   -6.63393100   -0.52510900
 C                  3.72837700   -5.27649000   -4.06996500
 H                  4.00471800   -5.67398700   -5.04225300
 C                  2.12833500    2.13315900   -5.47129900
 H                  2.06448500    3.01183200   -6.10690900
 C                  5.40438900   -3.36692700    2.97932800
 H                  5.96574800   -2.59515300    3.49671200
 C                 -3.08572900    7.08498400   -0.37972500
 H                 -4.10918100    7.20429700   -0.72420900
 C                 -1.24298600   -5.87523000    1.48828000
 H                 -2.10477900   -6.43405100    1.84150200
 C                  3.17996100    1.23092100   -5.62244300
 H                  3.94535100    1.40169500   -6.37424200
 C                 -0.53020000    4.28517800    5.00828300
 H                 -1.09185700    4.96297100    5.64482700
 C                 -0.24990900    2.98819500    5.43669000
 H                 -0.58940500    2.64884600    6.41135600
 Pd                -6.72107100   -1.37317400    1.03730200
 P                 -6.47386800   -1.20881200    3.41705400
 H                 -7.56752600   -1.09291200    4.32645100
 H                 -5.77864700   -2.20401100    4.17001900
 H                 -5.73954500   -0.10958400    3.95227300
 P                 -8.91783200   -0.68202300    0.26960500
 H                 -9.58256200   -1.41156100   -0.75841400
 H                -10.04396600   -0.61512800    1.14079200
 H                 -9.12412500    0.60432100   -0.31028700
          144
 3-Cl Charge = 1  Multiplicity = 1  E = -5504.635462 a.u.  G = -5503.619765 a.u.
 Os                -0.73476500   -0.24661000    0.09729800
 P                 -0.67576500    2.07847200    1.14278200
 P                 -0.74542900   -2.64617100   -0.68507400
 P                  4.05106600   -0.22972100    0.19321100
 C                  1.70811900   -0.91594400    1.71363500
 C                  2.25101000   -0.40983900    0.47007100
 C                 -2.10889800    3.25247900    0.84977600
 C                  1.28830800   -0.02644900   -0.44755500
 H                  1.63938700    0.39511500   -1.38912900
 C                  0.65587700    1.70332700    3.61203100
 H                  1.52401700    1.49692600    2.99817700
 C                  4.91465400   -1.83608400    0.00099900
 C                 -1.90717200    4.55339400    0.35978700
 H                 -0.91575800    4.89853100    0.09705300
 C                 -0.57058400    2.03728800    3.01346800
 C                 -4.39576100   -0.19706000    0.18459900
 C                 -5.87927500   -0.18496300    0.05433100
 C                 -0.44053500   -1.31360400    2.91500700
 H                 -0.00480300   -1.67004100    3.84645500
 C                 -1.80110700   -1.19634100    2.75335800
 H                 -2.47553900   -1.46804400    3.55818100
 C                 -6.66758600   -1.30476800    0.37644700
 H                 -6.20093800   -2.18946100    0.79584300
 C                 -2.29534500   -0.71301200    1.49722100
 C                 -3.70925500   -0.58929200    1.33940000
 C                 -3.68108900    0.18644300   -0.99695000
 H                 -4.27540500    0.40993700   -1.88020200
 C                  0.34469000   -0.91810100    1.80823100
 C                 -2.33075800    0.16923400   -1.08870300
 C                  0.17385700   -4.12838000    1.54225200
 H                  1.05075800   -3.49717400    1.47264300
 C                 -3.45551300   -2.95482200   -1.44522600
 H                 -3.66927700   -2.60773700   -0.44216000
 C                 -2.00115200   -4.80574100    0.75380300
 H                 -2.82709600   -4.73210500    0.05801900
 C                 -0.89194700   -3.95602600    0.64233400
 C                 -2.12338400   -3.07923300   -1.87241600
 C                 -3.41767700    2.85451000    1.16284300
 H                 -3.60876100    1.85829700    1.53756300
 C                  0.72037000   -3.26880300   -1.66264100
 C                 -2.98384200    5.42769600    0.19595700
 H                 -2.80204900    6.42947600   -0.18356100
 C                  2.23195800   -2.95893900   -3.54370400
 H                  2.62822900   -2.32172300   -4.33018500
 C                 -4.27840700    5.02618700    0.52576100
 H                 -5.11243800    5.71207200    0.40716400
 C                  1.28115800   -2.45186100   -2.65473300
 H                  0.94823000   -1.42531900   -2.75174200
 C                  1.26988400    3.24568900   -0.56700700
 H                  0.91733600    2.54023700   -1.30698000
 C                  4.94350100    1.95609700   -1.37783800
 H                  5.14958500    2.47362300   -0.44839800
 C                  4.39048200    0.66900000   -1.37227800
 C                  0.74967500    3.21608400    0.73309800
 C                  4.82438700    0.71673800    1.56083600
 C                 -1.29803300    0.33061100   -2.03213800
 H                 -1.10713600   -0.54760900   -2.65111300
 C                 -0.96020700    1.58131000   -2.75246200
 C                 -1.69687400    2.77013600   -2.60618100
 H                 -2.54320800    2.79384700   -1.92896600
 C                  4.44664000    0.63822400   -3.79494000
 H                  4.26542500    0.11989600   -4.73235500
 C                  2.14401600    5.13207100    1.29100200
 H                  2.46585700    5.87404900    2.01694200
 C                  1.14532300   -4.60338200   -1.57288900
 H                  0.70916200   -5.26626900   -0.83484600
 C                 -0.99558600   -5.93405000    2.64872000
 H                 -1.03813500   -6.69443100    3.42330300
 C                  4.81272800    2.68768500    2.96674400
 H                  4.35687000    3.63038000    3.25343800
 C                  1.19248500    4.17877200    1.65843100
 H                  0.78327000    4.20119600    2.66177400
 C                  0.78389300    1.64477600    4.99911200
 H                  1.74514700    1.38802400    5.43555300
 C                 -6.51302000    0.94001300   -0.50290000
 H                 -5.92002500    1.81123700   -0.76470400
 C                  4.24010500    1.93548800    1.94095500
 H                  3.34491700    2.29961900    1.44654700
 C                 -4.51317900   -3.28358100   -2.29330300
 H                 -5.53433300   -3.17787300   -1.93827300
 C                  0.12468000   -5.10862400    2.53250900
 H                  0.96252800   -5.22090400    3.21512100
 C                 -1.66296300    2.31692900    3.84438700
 H                 -2.61914900    2.60249400    3.42555500
 C                  2.65793700    5.15047500   -0.00840200
 H                  3.38579500    5.90385500   -0.29703000
 C                 -1.36873000    3.92060600   -3.32059200
 H                 -1.94717600    4.82958000   -3.19522800
 C                  6.92802400   -3.04291100   -0.60199200
 H                  7.95860800   -3.03892700   -0.94426500
 C                  5.97099500    0.25316100    2.21914400
 H                  6.41691500   -0.69733500    1.94855600
 C                 -8.04319700   -1.29305800    0.15465100
 H                 -8.63324200   -2.17130300    0.40120700
 C                  6.28225900   -4.25128800   -0.32448600
 H                  6.81409600   -5.19027800   -0.44784500
 C                 -4.49078600    3.73599400    1.01298800
 H                 -5.49091500    3.40604200    1.27897600
 C                  4.26707800   -3.04781200    0.26689900
 H                  3.23428300   -3.05803600    0.59145200
 C                  6.24753200   -1.83666800   -0.44727100
 H                  6.75049500   -0.90306400   -0.68227700
 C                 -8.66314600   -0.15899800   -0.37625500
 H                 -9.73721200   -0.14928400   -0.53833800
 C                 -0.29234600    3.89417000   -4.20739500
 C                  4.15297400    0.00638200   -2.58788000
 H                  3.75739200   -1.00365700   -2.59117400
 C                  0.10341000    1.58392800   -3.67528300
 H                  0.67011900    0.67085300   -3.84066800
 C                  0.44509600    2.72616700   -4.39770000
 H                  1.26697600    2.71113700   -5.10571500
 C                  2.11519400   -5.10194100   -2.44625100
 H                  2.42828800   -6.13888100   -2.36167400
 C                  2.65774600   -4.28460200   -3.43809800
 H                  3.39635600   -4.67894800   -4.13009900
 C                  2.21433200    4.20786500   -0.93626300
 H                  2.58761100    4.22097600   -1.95553400
 C                 -2.05376000   -5.78029600    1.75472300
 H                 -2.92546400   -6.42495700    1.82303400
 C                  6.53394300    1.01173800    3.24628100
 H                  7.41987100    0.64677800    3.75736300
 C                 -1.87905600   -3.53204100   -3.17839800
 H                 -0.86683000   -3.65101100   -3.54413900
 C                  5.24374300    2.57779900   -2.59227500
 H                  5.68118500    3.57180600   -2.58987400
 C                  5.95904000    2.22801200    3.61925600
 H                  6.40052500    2.81436000    4.41988000
 C                 -1.53622900    2.24877900    5.23495400
 H                 -2.39814900    2.46955400    5.85823000
 C                  4.95404500   -4.25194600    0.10198000
 H                  4.44572800   -5.18908300    0.30691100
 C                 -7.89352400    0.95901900   -0.70071600
 H                 -8.36542000    1.84535200   -1.11546200
 C                  4.99289000    1.92480600   -3.79929500
 H                  5.23279900    2.41068200   -4.74062700
 C                 -0.31595400    1.91108600    5.81766400
 H                 -0.21917000    1.86328800    6.89865500
 C                 -4.25864100   -3.72655200   -3.59229300
 H                 -5.08146000   -3.97599900   -4.25614200
 C                 -2.94045000   -3.84652600   -4.03080300
 H                 -2.72885500   -4.19349900   -5.03831500
 Cl                -4.74763400   -0.89423800    2.79059000
 Cl                 2.77834000   -1.48915400    3.02631200
 Cl                 0.13457600    5.34736800   -5.10606600
          153
 3-3Ts'' Charge = 1  Multiplicity = 1  E = -6318.996981 a.u.  G = -6317.938080 a.u.
 Os                 0.88854300   -0.08027800   -0.00278500
 P                 -3.80160500    0.88106600    0.40425200
 P                  0.76110000   -2.05198000    1.60256800
 P                  1.17741400    1.89688200   -1.63231800
 C                  2.11634400   -1.17888100   -1.39641700
 C                 -1.88724300   -0.70190900   -1.09497700
 C                 -0.68894800   -2.09438700    2.79342200
 C                 -0.54790600   -0.88932900   -1.41446900
 C                  2.85075200    2.73974600   -1.70677100
 C                  0.08717100    3.40584600   -1.43501100
 C                 -1.11615300   -0.90041400    3.39474900
 H                 -0.67824200    0.04092700    3.08850900
 C                 -2.12642400    0.26845100   -0.02691800
 C                 -3.79446000    1.76747600    2.02508900
 C                  2.69839000    0.28651500    0.85937900
 C                  3.41533200   -2.62437200    2.40726800
 H                  3.54141500   -2.94419300    1.37909100
 C                  1.40624600   -1.62469900   -2.53720700
 H                  1.91296100   -2.08427500   -3.37950400
 C                  4.42195200   -0.96852500   -0.36886300
 C                 -0.21878900    3.87743500   -0.15167600
 H                  0.07439800    3.30483300    0.71803700
 C                  1.90791200    2.37792800    2.16317200
 C                  2.17315100   -2.13405700    2.84237900
 C                 -4.94193400   -1.41628200    1.53409200
 H                 -4.11411000   -1.38563700    2.23638100
 C                  3.98326300   -0.07246600    0.67508800
 H                  4.73252300    0.23131800    1.40285700
 C                 -5.91827500   -2.40435900    1.66586900
 H                 -5.84858900   -3.12072400    2.47922900
 C                  3.52864400   -1.43994300   -1.32339400
 C                 -4.45158000    2.17783900   -0.72622900
 C                  0.02444900   -1.44485200   -2.56828700
 H                 -0.55580800   -1.68579500   -3.45568700
 C                 -0.97368200    0.67682700    0.61921800
 H                 -1.09752200    1.37915500    1.44268400
 C                  1.00442800    2.86094100    3.13062600
 H                  0.27041000    2.18407200    3.56149700
 C                 -3.05236000    2.95783000    2.11176700
 H                 -2.48121900    3.31267500    1.26092200
 C                  0.89622800    1.50910400   -3.44641800
 C                  2.03651500   -1.74808700    4.18297900
 H                  1.08713000   -1.38549500    4.56024500
 C                  5.86473300   -1.33708600   -0.31045000
 C                  1.93164100    1.46424600   -4.38952900
 H                  2.95676400    1.65135000   -4.09731300
 C                  1.85841000    0.94571900    1.78142200
 H                  1.57694900    0.34574100    2.64560300
 C                 -0.41629500    1.28326800   -3.88786600
 H                 -1.23993700    1.30236000   -3.18570600
 C                  1.24223500   -4.85434700    1.82439000
 H                  1.51204800   -4.64724000    2.85397500
 C                 -6.97432900   -2.47594900    0.75380500
 H                 -7.73365300   -3.24538100    0.86055700
 C                  5.24899200    2.58274100   -2.09963900
 H                  6.11924000    1.96761000   -2.31006400
 C                 -3.84992400    3.30788500    4.36975300
 H                 -3.87389200    3.90498400    5.27674700
 C                 -3.67587800    2.71425200   -1.75711300
 H                 -2.67404500    2.34658600   -1.93614900
 C                  4.49119700   -2.72373800    3.28773400
 H                  5.44250900   -3.10324200    2.92590200
 C                 -0.85314300    5.11072300    0.02343800
 H                 -1.04755100    5.47340600    1.02919500
 C                  5.37551000    3.96704200   -1.97564800
 H                  6.34692500    4.44102500   -2.08471100
 C                  0.84585000   -3.80757500    0.96868400
 C                 -5.47560200    4.23293700   -2.31885200
 H                 -5.87533200    5.02725700   -2.94262500
 C                 -6.08940100   -0.55479800   -0.42387600
 H                 -6.15732300    0.15040500   -1.24345700
 C                 -4.19210400    3.73978000   -2.55231200
 H                 -3.58311600    4.15084500   -3.35074400
 C                  0.52515000   -4.11338000   -0.35776500
 H                  0.22219100   -3.32794600   -1.03175600
 C                 -5.04142700   -0.46808100    0.50270800
 C                  2.98875200    4.13185800   -1.58877200
 H                  2.12992100    4.75899700   -1.38953600
 C                  4.34733900   -2.32844400    4.61976700
 H                  5.18569800   -2.40513900    5.30635000
 C                 -6.24460200    3.71315200   -1.27350800
 H                 -7.23900300    4.10358100   -1.07821900
 C                  3.99980200    1.97445100   -1.95659600
 H                  3.92455500    0.90005700   -2.05657400
 C                 -0.68971300    1.02212300   -5.23012100
 H                 -1.71692400    0.85371500   -5.54141800
 C                 -4.61446200    2.14500700    4.27604700
 H                 -5.24258900    1.83514400    5.10627300
 C                 -3.07220000    3.71414400    3.28263200
 H                 -2.49136200    4.63021100    3.33797600
 C                  2.87845600    3.27182500    1.67876900
 H                  3.61792300    2.92169600    0.96802300
 C                 -5.73426100    2.69426900   -0.47223800
 H                 -6.33311000    2.30744500    0.34710200
 C                  6.29484100   -2.67615700   -0.30398500
 H                  5.56826000   -3.47493600   -0.40635400
 C                 -4.58949000    1.37459000    3.11039200
 H                 -5.20434700    0.48511600    3.05572700
 C                 -2.08032200   -0.90629700    4.40539600
 H                 -2.38102600    0.03089300    4.86397000
 C                  6.83081600   -0.32665900   -0.15904100
 H                  6.51752900    0.71320700   -0.14914200
 C                  1.03534200    4.18365700    3.56860000
 H                  0.33886000    4.53663400    4.32212600
 C                 -0.25968800    4.20023500   -2.54183900
 H                 -0.00452200    3.88084000   -3.54517700
 C                  8.59699800   -1.97369400   -0.03802400
 H                  9.65006800   -2.22066900    0.06290200
 C                  0.35089100    0.96995800   -6.15979500
 H                  0.14226100    0.76497100   -7.20612000
 C                 -1.26854100   -3.29678800    3.22419000
 H                 -0.95703100   -4.23958800    2.79112200
 C                 -1.20671700    5.88559500   -1.08148900
 H                 -1.69534700    6.84599000   -0.94382900
 C                 -2.64806900   -2.11094100    4.82624900
 H                 -3.39024100   -2.12021500    5.61979300
 C                  1.30897000   -6.16708700    1.35911600
 H                  1.61808100   -6.95937000    2.03514500
 C                  4.24124600    4.73673000   -1.71711400
 H                  4.32268200    5.81602900   -1.62155500
 C                  3.11862700   -1.84168500    5.06356400
 H                  2.99093600   -1.53997500    6.09942700
 C                  7.64556300   -2.98923500   -0.16221700
 H                  7.95601400   -4.03043500   -0.15245400
 C                 -7.04907800   -1.56066700   -0.29727100
 H                 -7.85866100   -1.62082400   -1.01855700
 C                 -0.90865500    5.42407800   -2.36489500
 H                 -1.15978200    6.02596200   -3.23421000
 C                  8.18467300   -0.64049000   -0.04007800
 H                  8.91549100    0.15753300    0.05783600
 C                  0.99587800   -6.45900700    0.02855200
 H                  1.06520900   -7.47961000   -0.33749100
 C                  2.92127300    4.59875300    2.10387100
 H                  3.67639000    5.27522800    1.71812000
 C                 -2.24142000   -3.30440900    4.22809000
 H                 -2.66746100   -4.25067700    4.55083700
 C                  0.60648400   -5.42891500   -0.82584000
 H                  0.37384900   -5.63890900   -1.86641200
 C                  1.65985600    1.19035600   -5.73310800
 H                  2.47998800    1.15956500   -6.44493300
 C                  1.99187300    5.05044000    3.04002700
 Pd                -2.60075100   -2.69020200   -1.61003800
 P                 -2.79846500   -4.31291500   -3.42219900
 H                 -1.67250700   -4.73984700   -4.18728600
 H                 -3.36472000   -5.61345100   -3.27613300
 H                 -3.60057900   -3.92904700   -4.53406800
 P                 -3.20749100   -4.14444000    0.18431600
 H                 -3.31873600   -3.97010300    1.59193600
 H                 -4.46251300   -4.80017300    0.02377500
 H                 -2.43457100   -5.33919800    0.25623000
 Cl                -3.23660900   -0.48290800   -2.67956100
 Cl                 4.24882400   -2.44325900   -2.64456900
 Cl                 2.03440500    6.72730800    3.57678500
          153
 3-8Ts'' Charge = 1  Multiplicity = 1  E = -6318.999563 a.u.  G = -6317.944520 a.u.
 Os                 0.18757500    0.05818300    0.09000300
 P                 -4.47406600   -0.85157900   -0.48247600
 P                  0.38947400   -2.15203300    1.29336900
 P                 -0.09784600    2.22367300   -1.25557700
 C                  1.97871100   -0.28680800   -1.07236100
 C                 -1.89276300   -1.12701900   -1.72212100
 C                 -1.07625800   -2.76524000    2.29441700
 C                 -0.54080500   -0.93199700   -1.64720800
 C                  0.95337800    3.72532700   -0.86261300
 C                 -1.78507300    3.02686900   -1.20489500
 C                 -1.87857100   -1.86231100    3.00618500
 H                 -1.72140000   -0.79839300    2.89043400
 C                 -2.66371000   -0.61134400   -0.61105200
 C                 -5.10111700   -0.34389100    1.16662600
 C                  1.55694600    0.83558900    1.39312800
 C                  3.05836800   -2.13957000    2.24367300
 H                  3.33775100   -2.07540700    1.19531400
 C                  1.71975100   -0.92243800   -2.32655400
 H                  2.52488800   -1.08163000   -3.03647600
 C                  3.80149100    0.77541900    0.35521300
 C                 -2.38498900    3.23010400    0.04686100
 H                 -1.93313200    2.81200500    0.93766500
 C                 -0.18326300    2.24772600    2.68481900
 C                  1.70642800   -2.17952400    2.62000100
 C                 -4.11481200   -3.57451900   -0.01042000
 H                 -3.28894800   -3.26264700    0.62110500
 C                  2.88700100    1.06587500    1.43587300
 H                  3.31618900    1.53587500    2.31833600
 C                 -4.41223000   -4.93106500   -0.13707700
 H                 -3.81542000   -5.66002700    0.40275000
 C                  3.32401800    0.05843300   -0.75692800
 C                 -5.45471400    0.14468800   -1.67178100
 C                  0.42500100   -1.27464700   -2.62303200
 H                  0.16333300   -1.75030900   -3.56632800
 C                 -1.89568500    0.01445800    0.35647900
 H                 -2.42207600    0.44614800    1.20647100
 C                 -1.34753700    2.20465400    3.47718600
 H                 -1.81366800    1.24698400    3.69397300
 C                 -5.09057600    1.01971700    1.50313400
 H                 -4.68188600    1.75220800    0.81514800
 C                  0.20483300    2.02315300   -3.09154000
 C                  1.39018000   -2.25111400    3.98490300
 H                  0.35811600   -2.29010900    4.31254400
 C                  5.19211300    1.30042900    0.59518200
 C                  1.37534800    2.49173300   -3.70205600
 H                  2.13517100    3.00311500   -3.12554500
 C                  0.39725300    0.97986400    2.17785400
 H                  0.22225100    0.16660600    2.88221400
 C                 -0.74775300    1.36792900   -3.88974800
 H                 -1.65919700    0.99013400   -3.44346000
 C                  1.74172200   -4.62491600    0.70312600
 H                  2.39071700   -4.41465200    1.54383100
 C                 -5.46496100   -5.34577700   -0.95632100
 H                 -5.69138000   -6.40334200   -1.05678300
 C                  3.15100600    4.69596000   -0.46833700
 H                  4.22334400    4.56024100   -0.36675100
 C                 -6.19301300    0.51010000    3.59639500
 H                 -6.62351300    0.84239500    4.53671800
 C                 -4.86168100    0.75923700   -2.78030300
 H                 -3.79698300    0.66878200   -2.95104300
 C                  4.06554200   -2.20279900    3.20687200
 H                  5.10471400   -2.19503500    2.88950400
 C                 -3.53055100    4.01984500    0.16849900
 H                 -3.95090300    4.20019000    1.15448900
 C                  2.58177900    5.96137400   -0.32114600
 H                  3.20877000    6.82239200   -0.10722900
 C                  0.75767400   -3.70320100    0.31051100
 C                 -7.02071400    1.61962000   -3.45633400
 H                 -7.62861800    2.19154600   -4.15138300
 C                 -5.93695400   -3.04100100   -1.52708400
 H                 -6.52455600   -2.31689400   -2.08062900
 C                 -5.64741300    1.49551800   -3.66853800
 H                 -5.18164300    1.97214800   -4.52572700
 C                 -0.08731800   -4.04313900   -0.75820200
 H                 -0.87360600   -3.36690800   -1.06572500
 C                 -4.88213700   -2.62582800   -0.70387300
 C                  0.39254400    5.00569000   -0.72700900
 H                 -0.67398300    5.15894400   -0.82390700
 C                  3.74163000   -2.27061600    4.56405800
 H                  4.52695300   -2.31427900    5.31345300
 C                 -7.61457000    1.01459300   -2.34510900
 H                 -8.68164900    1.11660300   -2.17123800
 C                  2.34377700    3.58885000   -0.73865800
 H                  2.80349600    2.61912000   -0.86378100
 C                 -0.54147500    1.19437800   -5.25774600
 H                 -1.29720500    0.68944100   -5.85340400
 C                 -6.21835700   -0.84283100    3.25545200
 H                 -6.66956400   -1.56741100    3.92703900
 C                 -5.62596700    1.43971200    2.71974100
 H                 -5.61363400    2.49521800    2.97563400
 C                  0.41331100    3.50432300    2.47866200
 H                  1.32948000    3.57395000    1.90377000
 C                 -6.83641100    0.28341000   -1.44959500
 H                 -7.30253800   -0.16894300   -0.57931500
 C                  5.81459900    1.00454400    1.82532100
 H                  5.32731700    0.32239100    2.51569300
 C                 -5.67013100   -1.27516000    2.04538600
 H                 -5.69557400   -2.32888400    1.79278800
 C                 -2.86399000   -2.31594700    3.88620200
 H                 -3.46496500   -1.59624900    4.43363000
 C                  5.84193400    2.19991300   -0.26895900
 H                  5.38848900    2.45750300   -1.21612000
 C                 -1.91700900    3.35925900    4.01117700
 H                 -2.81010000    3.30572200    4.62509500
 C                 -2.36569900    3.62789500   -2.33261800
 H                 -1.90360200    3.52576300   -3.30712300
 C                  7.69022400    2.43554100    1.28740900
 H                  8.65002000    2.87121300    1.54996800
 C                  0.63228700    1.66052200   -5.85393200
 H                  0.79784100    1.52293900   -6.91872900
 C                 -1.29381800   -4.14115400    2.48104700
 H                 -0.68018000   -4.86781900    1.96237700
 C                 -4.11252700    4.59780600   -0.96175600
 H                 -5.00211900    5.21404600   -0.86630200
 C                 -3.07447300   -3.68441400    4.05956500
 H                 -3.83782900   -4.03924400    4.74639300
 C                  1.88429700   -5.84334200    0.03279600
 H                  2.64879400   -6.54332400    0.35866500
 C                  1.20174800    6.11144700   -0.45829000
 H                  0.74506300    7.09221400   -0.35738200
 C                  2.40187700   -2.28527900    4.94865900
 H                  2.13468800   -2.33741200    6.00034400
 C                  7.05097000    1.55343100    2.16159700
 H                  7.51110900    1.29523200    3.11176700
 C                 -6.22364000   -4.40120100   -1.65017900
 H                 -7.03830900   -4.72054600   -2.29333900
 C                 -3.52818700    4.39425300   -2.21190900
 H                 -3.95980400    4.85251500   -3.09750500
 C                  7.07583400    2.75576500    0.07624100
 H                  7.55493000    3.44827000   -0.61077700
 C                  1.04635800   -6.16534500   -1.03511800
 H                  1.15763900   -7.11404100   -1.55258300
 C                 -0.14366500    4.66881100    3.00476500
 H                  0.32964800    5.62907000    2.83171600
 C                 -2.28858200   -4.59438000    3.35052800
 H                 -2.43479300   -5.66281600    3.48425400
 C                  0.05823200   -5.26005500   -1.42664900
 H                 -0.60806200   -5.49733700   -2.25140400
 C                  1.58735800    2.30649900   -5.07107900
 H                  2.50610500    2.67318200   -5.51929800
 C                 -1.31244200    4.59081300    3.76125400
 Pd                 4.85694800   -1.38502200   -0.94297900
 P                  4.05340900   -3.42886200   -2.00435600
 H                  4.45965500   -3.49723500   -3.36952200
 H                  4.56558100   -4.71331500   -1.65625200
 H                  2.71909100   -3.86994700   -2.24055000
 P                  7.19585800   -1.75325400   -0.33776300
 H                  8.01265700   -2.76627600   -0.92104600
 H                  8.10406000   -0.68180100   -0.56591500
 H                  7.60360700   -2.01006800    1.00407100
 Cl                -2.02811100    6.05860700    4.42098200
 Cl                 4.47595200    0.56238400   -2.62063000
 Cl                -2.68185800   -1.94223200   -3.10609700
          153
 3-13Ts'' Charge = 1  Multiplicity = 1  E = -6318.992589 a.u.  G = -6317.940573 a.u.
 Os                -0.67429100    1.04352200    0.10933300
 P                  0.19353400    0.38579600    2.41779800
 P                 -1.76910800    1.75887100   -2.04099600
 P                 -2.97295000   -3.14641500   -0.02789500
 C                 -3.22733500   -0.39354800    0.76685600
 C                 -2.41126100   -1.41415200    0.14184100
 C                  1.80614400    1.12394600    3.02909600
 C                 -1.15741800   -0.97255000   -0.24598100
 H                 -0.48410800   -1.70973700   -0.68353600
 C                 -2.15295200    0.02964200    3.95806800
 H                 -2.33280600   -0.81351000    3.30271700
 C                 -4.31937100   -3.35252100   -1.25629900
 C                  2.86615200    0.31351000    3.46779800
 H                  2.79302500   -0.76525800    3.42368200
 C                 -0.99719400    0.81331900    3.80185600
 C                  1.05329400    4.25604700    0.39516700
 C                  1.84376900    5.51891600    0.37493700
 C                 -3.18083500    1.98480700    1.52008300
 H                 -4.17199000    2.00002700    1.96960400
 C                 -2.36098100    3.08868600    1.54539500
 H                 -2.69281100    4.00892200    2.01422100
 C                  1.30359100    6.73056800   -0.09299800
 H                  0.26089900    6.77695600   -0.38807700
 C                 -1.06619900    2.98603600    0.93757000
 C                 -0.21789300    4.13324200    0.96878800
 C                  1.66611000    3.14957000   -0.27730200
 H                  2.62149300    3.33792900   -0.76240200
 C                 -2.64065400    0.83285000    0.90361100
 C                  1.06298500    1.94733200   -0.43758500
 C                 -4.49924900    2.11205300   -1.39054300
 H                 -4.46331300    1.06673400   -1.11064100
 C                 -0.23158400    4.05002300   -2.67893700
 H                 -0.47828900    4.36671100   -1.67357200
 C                 -3.43740100    4.10131300   -2.24224800
 H                 -2.58190900    4.62271800   -2.65222900
 C                 -3.34586100    2.75174500   -1.87581400
 C                 -0.70358000    2.81688200   -3.15674700
 C                  1.96082700    2.51695600    3.09682300
 H                  1.16677300    3.16918400    2.75994500
 C                 -2.28627100    0.44128200   -3.26207200
 C                  4.03998000    0.88410100    3.96520700
 H                  4.84470300    0.23568700    4.30102000
 C                 -1.69125900   -1.53949100   -4.54345800
 H                 -1.00379600   -2.36049900   -4.73022800
 C                  4.17546900    2.27039900    4.04364300
 H                  5.08508300    2.71110100    4.44194800
 C                 -1.43959900   -0.65205100   -3.49437500
 H                 -0.56483300   -0.79289100   -2.87083400
 C                  1.09191300   -2.23561900    1.79843600
 H                  1.24026400   -1.85485400    0.79684800
 C                 -0.97553800   -5.15141900    0.18096600
 H                 -1.24267900   -5.23927600    1.22736800
 C                 -1.61722400   -4.22054100   -0.64605000
 C                  0.52166600   -1.41756200    2.78211200
 C                 -3.52559800   -3.80460900    1.59308200
 C                  1.23885800    0.72182900   -1.10604200
 H                  0.92125400    0.72831500   -2.15021400
 C                  2.31455900   -0.26737100   -0.87374200
 C                  3.35396600   -0.07495400    0.05023600
 H                  3.37586500    0.82748000    0.65187300
 C                 -0.27684300   -4.96789700   -2.52124600
 H                 -0.01596500   -4.90468500   -3.57400000
 C                  0.80494000   -3.22137300    4.39158500
 H                  0.70417900   -3.59148200    5.40851700
 C                 -3.40004100    0.61711600   -4.09840200
 H                 -4.05607400    1.46890500   -3.96180000
 C                 -5.77697300    4.15419500   -1.61156600
 H                 -6.71247300    4.69649600   -1.50783500
 C                 -3.05513000   -4.14602900    3.94381300
 H                 -2.38790100   -4.02485800    4.79160700
 C                  0.38994700   -1.92332900    4.08822900
 H                 -0.01689800   -1.30079200    4.87661800
 C                 -3.07924000    0.30965500    4.96168600
 H                 -3.96267100   -0.31494500    5.06092700
 C                  3.20277300    5.48866300    0.73441000
 H                  3.63906400    4.56050400    1.09117400
 C                 -2.67218700   -3.65104200    2.69708600
 H                 -1.71700000   -3.14615000    2.59247500
 C                  0.54890700    4.87904700   -3.48507000
 H                  0.90130000    5.82816700   -3.09137400
 C                 -5.70293800    2.80399700   -1.26312300
 H                 -6.57998700    2.28542100   -0.88573600
 C                 -0.79216000    1.87956200    4.68697100
 H                  0.09718800    2.49256700    4.62043300
 C                  1.37598100   -4.02744300    3.40300700
 H                  1.71971900   -5.02909000    3.64646500
 C                  4.35026100   -1.03520800    0.24101300
 H                  5.10163000   -0.89492200    1.01140000
 C                 -5.71980800   -4.83954400   -2.56072300
 H                 -6.01395000   -5.84614400   -2.84280800
 C                 -4.76409000   -4.44084000    1.74820900
 H                 -5.44204900   -4.54252600    0.90842500
 C                  2.09642200    7.87242900   -0.18945100
 H                  1.66252000    8.79620600   -0.56194400
 C                 -6.35422900   -3.73337000   -3.13358500
 H                 -7.14754100   -3.88070300   -3.86074800
 C                  3.12920700    3.08519600    3.60954600
 H                  3.21395100    4.16667200    3.66571700
 C                 -4.94776800   -2.24711600   -1.84048500
 H                 -4.64401500   -1.24162900   -1.57736600
 C                 -4.69992400   -4.65388300   -1.62947000
 H                 -4.19881200   -5.51806700   -1.20293100
 C                  3.43922200    7.83410000    0.19460900
 H                  4.05201100    8.72860600    0.12806800
 C                  4.37762400   -2.18088100   -0.57559100
 C                 -1.27037800   -4.13814000   -2.00463800
 H                 -1.78485100   -3.44181700   -2.65812100
 C                  2.33308400   -1.46124900   -1.63346000
 H                  1.55157600   -1.63348900   -2.37076500
 C                  3.32153300   -2.42271100   -1.47649500
 H                  3.30412000   -3.33737600   -2.06039600
 C                 -3.66539900   -0.28684200   -5.12999500
 H                 -4.53206000   -0.13192800   -5.76673500
 C                 -2.80958400   -1.36434000   -5.36082800
 H                 -3.00524200   -2.05467700   -6.17642600
 C                  1.52277400   -3.52926700    2.10811800
 H                  1.99226800   -4.13140100    1.33685300
 C                 -4.64209800    4.79670800   -2.10329600
 H                 -4.68780000    5.84310300   -2.39163300
 C                 -5.13951900   -4.92932100    3.00024300
 H                 -6.10253200   -5.41743000    3.11734100
 C                 -0.35913100    2.42802400   -4.46078100
 H                 -0.70642600    1.48707000   -4.86900000
 C                  0.01394100   -5.98387400   -0.34715700
 H                  0.50307100   -6.70807700    0.29736300
 C                 -4.28728400   -4.78578400    4.09665800
 H                 -4.58480800   -5.16701000    5.06923200
 C                 -1.72581700    2.16505000    5.68772800
 H                 -1.54424500    2.99798700    6.36112000
 C                 -5.96322200   -2.44214400   -2.77866700
 H                 -6.44499400   -1.58081600   -3.23104700
 C                  3.98848800    6.63882500    0.66053300
 H                  5.03178700    6.59766500    0.96098100
 C                  0.36740500   -5.89180600   -1.69353900
 H                  1.13435100   -6.54462100   -2.10013200
 C                 -2.87266100    1.38559900    5.82775800
 H                 -3.59464900    1.60761100    6.60859500
 C                  0.88844500    4.48080200   -4.77901200
 H                  1.50143600    5.12251700   -5.40555400
 C                  0.43520000    3.25320000   -5.26081400
 H                  0.69061700    2.93267000   -6.26701800
 Pd                 6.43729900   -2.35396500   -1.15728600
 P                  6.21959000   -1.72439900   -3.44491800
 H                  7.29466600   -1.71183400   -4.38317200
 H                  5.28963500   -2.38495300   -4.30413900
 H                  5.76156300   -0.40767200   -3.74229100
 P                  8.77979300   -2.37556100   -0.46680100
 H                  9.24839700   -3.35967300    0.45137300
 H                  9.84290200   -2.54035400   -1.40145800
 H                  9.36468000   -1.26199700    0.20448100
 Cl                 5.08188500   -3.85738500    0.37813300
 Cl                -4.89052200   -0.74896800    1.32213100
 Cl                -0.79063200    5.57924200    1.89824700
          153
 3-3C'' Charge = 1  Multiplicity = 1  E = -6319.054738 a.u.  G = -6317.990963 a.u. 
 Os                 1.00458900   -0.12107500   -0.03858500
 P                 -3.62738400    0.62073300    0.86790500
 P                  1.07353100   -2.18873100    1.51876500
 P                  1.06882100    1.85189300   -1.62280500
 C                  2.13117900   -1.15965600   -1.54164300
 C                 -1.87046100   -0.81444200   -0.92796000
 C                 -0.35341600   -2.36809000    2.72278400
 C                 -0.53804000   -0.99627000   -1.27345400
 C                  2.69060400    2.77888800   -1.79135300
 C                 -0.07404400    3.29318000   -1.30143600
 C                 -0.72042000   -1.25840800    3.50099100
 H                 -0.25597400   -0.29638500    3.31688600
 C                 -1.99453400    0.06708700    0.21936900
 C                 -3.50777300    1.34041600    2.56474900
 C                  2.86747000    0.26643200    0.69070300
 C                  3.77872800   -2.60553600    2.19669500
 H                  3.87297100   -2.88765000    1.15413600
 C                  1.31959200   -1.69264600   -2.58448900
 H                  1.75738000   -2.16545600   -3.45784800
 C                  4.50876400   -0.90631500   -0.71014100
 C                 -0.28829900    3.72166800    0.01543100
 H                  0.10618600    3.14283900    0.84022500
 C                  2.13783800    2.30536400    2.11096100
 C                  2.53090700   -2.21189100    2.70864900
 C                 -4.49859400   -1.87856200    1.78348400
 H                 -3.56827900   -1.90059100    2.34288800
 C                  4.14359300   -0.05594100    0.39270100
 H                  4.94547100    0.24833600    1.06194100
 C                 -5.39413500   -2.94264600    1.89801800
 H                 -5.15376500   -3.77574500    2.55248900
 C                  3.54765900   -1.37178700   -1.60544500
 C                 -4.41815600    1.99182500   -0.05812700
 C                 -0.05516500   -1.62747500   -2.43790000
 H                 -0.72140600   -2.01635600   -3.20899600
 C                 -0.80239000    0.51430600    0.78579000
 H                 -0.88271700    1.18045900    1.64447700
 C                  1.29615800    2.74014700    3.15428900
 H                  0.60689300    2.03535100    3.61385900
 C                 -2.81069700    2.55208600    2.71439100
 H                 -2.33085400    3.01793100    1.86013000
 C                  0.68164700    1.46504600   -3.41397000
 C                  2.43688300   -1.88240800    4.06733600
 H                  1.48684800   -1.59958200    4.50504000
 C                  5.95678200   -1.25194100   -0.78026100
 C                  1.65362000    1.49289400   -4.42434700
 H                  2.68141900    1.74701400   -4.20061500
 C                  2.09055100    0.88365600    1.69259100
 H                  1.88549300    0.25272000    2.55652000
 C                 -0.64167300    1.15909000   -3.76793000
 H                 -1.42387700    1.12141100   -3.01999500
 C                  1.65424200   -4.96020400    1.76198600
 H                  1.86917600   -4.72888000    2.79953100
 C                 -6.59678400   -2.92905500    1.18483600
 H                 -7.29753300   -3.75323700    1.28465900
 C                  5.06039800    2.75656200   -2.35258000
 H                  5.94300600    2.19352900   -2.64279000
 C                 -3.43298900    2.63618600    5.05168000
 H                 -3.40789500    3.13963000    6.01379500
 C                 -3.81351400    2.57059600   -1.17545600
 H                 -2.87026400    2.19332800   -1.54568300
 C                  4.90166000   -2.66305200    3.02021100
 H                  5.85522500   -2.96940600    2.59964400
 C                 -0.95848500    4.92002700    0.27539600
 H                 -1.08429100    5.25118300    1.30278900
 C                  5.12614900    4.14217700   -2.19758600
 H                  6.06263100    4.66847300   -2.35970300
 C                  1.25390300   -3.93985400    0.87659100
 C                 -5.65193300    4.13708800   -1.34835900
 H                 -6.13368500    4.96819700   -1.85555300
 C                 -6.00867400   -0.78008700    0.23132600
 H                 -6.24516000    0.04602100   -0.42947000
 C                 -4.43657900    3.64361400   -1.81809500
 H                 -3.96490900    4.08530400   -2.68919400
 C                  0.99950600   -4.27714000   -0.45653700
 H                  0.71615300   -3.50923500   -1.15889100
 C                 -4.80946400   -0.78522100    0.95724200
 C                  2.76697400    4.17275300   -1.64403600
 H                  1.89299800    4.74898000   -1.37034600
 C                  4.79980200   -2.32337500    4.37119400
 H                  5.67452100   -2.36787500    5.01377800
 C                 -6.25015000    3.56935700   -0.21810600
 H                 -7.19101600    3.95940700    0.15892300
 C                  3.85612300    2.08115900   -2.14270200
 H                  3.82668500    1.00801300   -2.27349300
 C                 -0.98433700    0.88808600   -5.09267400
 H                 -2.01913300    0.65868200   -5.32781500
 C                 -4.15300200    1.45122600    4.89964200
 H                 -4.69662200    1.03041900    5.74073700
 C                 -2.76315100    3.18571700    3.95511900
 H                 -2.21829300    4.11956700    4.05840300
 C                  3.04916700    3.23613300    1.58325400
 H                  3.74212000    2.92483200    0.81018900
 C                 -5.63380300    2.50453100    0.43229200
 H                 -6.09373100    2.08146200    1.32092200
 C                  6.40076200   -2.58544100   -0.82826900
 H                  5.67672500   -3.39144700   -0.88379700
 C                 -4.18967500    0.80058000    3.66307500
 H                 -4.76174500   -0.11414600    3.56481000
 C                 -1.65184300   -1.38102800    4.53356900
 H                 -1.89631100   -0.51410500    5.13891000
 C                  6.91896800   -0.23073100   -0.69274300
 H                  6.59494800    0.80475900   -0.64164100
 C                  1.33019300    4.05025700    3.62797500
 H                  0.68305200    4.36574400    4.43995800
 C                 -0.55067300    4.09007100   -2.35572300
 H                 -0.37477300    3.79763400   -3.38428500
 C                  8.70805000   -1.85699000   -0.73776900
 H                  9.76867300   -2.09167200   -0.72554500
 C                 -0.00634300    0.90615900   -6.08895500
 H                 -0.27094700    0.69350700   -7.12122400
 C                 -0.99044000   -3.59378300    2.97259800
 H                 -0.72683500   -4.47456000    2.39911600
 C                 -1.43447700    5.70273700   -0.77738100
 H                 -1.94895100    6.63800600   -0.57551000
 C                 -2.26556100   -2.61076400    4.78466800
 H                 -2.98379200   -2.70948700    5.59391100
 C                  1.78734800   -6.27549200    1.32017000
 H                  2.09762600   -7.04608400    2.02032500
 C                  3.97555000    4.84504800   -1.84041700
 H                  4.00891900    5.92449300   -1.72067200
 C                  3.56578100   -1.93517200    4.89090100
 H                  3.47063100   -1.67954400    5.94253200
 C                  7.76197600   -2.88322000   -0.79966500
 H                  8.08457400   -3.92032400   -0.82968900
 C                 -6.89812800   -1.85133200    0.35003000
 H                 -7.83049400   -1.83600500   -0.20719800
 C                 -1.23028600    5.28172400   -2.09278100
 H                 -1.58239800    5.88974100   -2.92186600
 C                  8.28158500   -0.52915400   -0.68780100
 H                  9.00877100    0.27656000   -0.63805200
 C                  1.53752000   -6.59839900   -0.01658400
 H                  1.65662700   -7.62105400   -0.36327800
 C                  3.09384900    4.55135300    2.04336100
 H                  3.80274300    5.25646500    1.62282400
 C                 -1.94317900   -3.71157000    3.99022000
 H                 -2.41045100   -4.67539900    4.17475700
 C                  1.14683300   -5.59557000   -0.90188500
 H                  0.97015900   -5.82838900   -1.94877500
 C                  1.31154600    1.20840600   -5.74923800
 H                  2.08302400    1.23490000   -6.51386300
 C                  2.22680100    4.95406400    3.05814100
 Pd                -3.38759600   -1.81004100   -1.92739800
 P                 -5.08900900   -2.88503300   -3.32044800
 H                 -4.81991700   -2.85170000   -4.71133300
 H                 -5.52552600   -4.24176100   -3.23784600
 H                 -6.36359500   -2.26733500   -3.33675600
 P                 -2.75737400   -3.66990700   -0.74038300
 H                 -2.24648000   -3.54618100    0.57142500
 H                 -3.71786600   -4.69333800   -0.51773200
 H                 -1.72967100   -4.46530000   -1.30549600
 Cl                -4.02797200    0.07561100   -3.23479600
 Cl                 4.18819900   -2.30601400   -3.01734300
 Cl                 2.27371500    6.61512700    3.64202100
          153
 3-8C'' Charge = 1  Multiplicity = 1  E = -6319.063271 a.u.  G = -6318.002426 a.u. 
 Os                 0.14598500   -0.06809900    0.28093200
 P                 -4.47627200   -0.61937500   -0.87151400
 P                  0.07051600   -2.32942900    1.38043400
 P                  0.13380300    2.14722100   -1.00235600
 C                  2.04696100   -0.52767000   -0.66436000
 C                 -1.78658300   -1.14373800   -1.75383100
 C                 -1.55828600   -2.92848200    2.08064000
 C                 -0.44378800   -1.02745600   -1.52682200
 C                  1.29971000    3.50099400   -0.44758800
 C                 -1.47545500    3.10330200   -1.01470100
 C                 -2.39756500   -2.02501900    2.74769700
 H                 -2.15787600   -0.96916500    2.74004500
 C                 -2.65015500   -0.55528800   -0.74929000
 C                 -5.27230300   -0.06907000    0.68941800
 C                  1.40908900    0.60163200    1.73101800
 C                  2.51806000   -2.32844500    2.79873900
 H                  2.94030600   -2.03487400    1.84506900
 C                  1.87632200   -1.18611700   -1.93029100
 H                  2.73857200   -1.44605500   -2.54089000
 C                  3.72989300    0.37482300    0.94758100
 C                 -2.15792600    3.30096200    0.19420600
 H                 -1.82139200    2.80110900    1.09348900
 C                 -0.35050100    2.04574000    2.95064800
 C                  1.13118800   -2.51216000    2.91251100
 C                 -4.48378300   -3.37569700   -0.43450200
 H                 -3.72299200   -3.16861900    0.31091500
 C                  2.73904800    0.78448100    1.90469200
 H                  3.09569600    1.23493700    2.82936500
 C                 -4.90829200   -4.68789300   -0.64155800
 H                 -4.47540700   -5.48777900   -0.04849300
 C                  3.39024200   -0.26850400   -0.25012800
 C                 -5.17532400    0.48646900   -2.15953200
 C                  0.60590200   -1.45083500   -2.37764500
 H                  0.42419600   -1.92835300   -3.33888700
 C                 -1.96363800    0.02855400    0.30020400
 H                 -2.55413800    0.51094700    1.07819500
 C                 -1.57819000    2.03957700    3.64168100
 H                 -2.12348700    1.10554400    3.75419200
 C                 -5.20171700    1.28864400    1.04096900
 H                 -4.65792500    1.99124700    0.41887800
 C                  0.50527600    2.05471500   -2.83756500
 C                  0.60284100   -2.86674700    4.16334200
 H                 -0.46153000   -3.01787500    4.29154600
 C                  5.14351800    0.64740500    1.34448600
 C                  1.57671900    2.74500400   -3.41828900
 H                  2.26401400    3.31516400   -2.80866300
 C                  0.18739500    0.77391000    2.41144700
 H                 -0.10155800   -0.06588400    3.04524600
 C                 -0.35739600    1.33512100   -3.68166100
 H                 -1.19413000    0.79503500   -3.26170900
 C                  1.63579400   -4.66114100    0.72443200
 H                  2.21323900   -4.46228000    1.61892800
 C                 -5.87752600   -4.96894000   -1.60726400
 H                 -6.20282400   -5.99257500   -1.76919100
 C                  3.57773900    4.22980000   -0.00746400
 H                  4.63836000    3.99986200    0.03139500
 C                 -6.58485500    0.85799200    2.97945700
 H                 -7.10018000    1.21890400    3.86499700
 C                 -4.37037600    1.04681900   -3.15725800
 H                 -3.30657100    0.85225400   -3.17690200
 C                  3.35627700   -2.53047100    3.89601700
 H                  4.42969800   -2.40527700    3.78369200
 C                 -3.24172800    4.17978600    0.26592700
 H                 -3.72690000    4.34898000    1.22373700
 C                  3.12114100    5.50948900    0.31150900
 H                  3.82379000    6.28431400    0.60546300
 C                  0.57432200   -3.81931000    0.36073100
 C                 -6.31085600    2.13328700   -4.11201900
 H                 -6.75155100    2.77197600   -4.87207200
 C                 -6.00910500   -2.61755900   -2.16668000
 H                 -6.42938800   -1.82352600   -2.77377500
 C                 -4.94112400    1.86959500   -4.12982900
 H                 -4.30957400    2.30353400   -4.89914600
 C                 -0.18564400   -4.15455600   -0.77226600
 H                 -1.03110300   -3.54338900   -1.06098600
 C                 -5.03909600   -2.33604300   -1.19585700
 C                  0.85064900    4.79544900   -0.14149400
 H                 -0.20157300    5.04380500   -0.18880600
 C                  2.82046900   -2.88167400    5.13667000
 H                  3.47295300   -3.03022400    5.99234000
 C                 -7.11643500    1.58268500   -3.11116500
 H                 -8.18151000    1.79346600   -3.08795800
 C                  2.67523600    3.23302400   -0.38390900
 H                  3.05305300    2.25822300   -0.66186300
 C                 -0.15488600    1.30241900   -5.06019400
 H                 -0.83796800    0.73595900   -5.68776700
 C                 -6.66926400   -0.48841100    2.62193200
 H                 -7.25276400   -1.17821500    3.22485100
 C                 -5.84913700    1.74457500    2.18836300
 H                 -5.79013800    2.79566900    2.45535700
 C                  0.34520200    3.26560500    2.87492500
 H                  1.30853000    3.30168200    2.37947600
 C                 -6.55340100    0.76566600   -2.13244900
 H                 -7.18293700    0.35473000   -1.34876400
 C                  5.58106700    0.33263900    2.64576800
 H                  4.88762900   -0.12016700    3.34794700
 C                 -6.01291300   -0.95707100    1.48136900
 H                 -6.08821400   -2.00432600    1.21276700
 C                 -3.52150100   -2.47312400    3.44528400
 H                 -4.15239600   -1.75635700    3.96197200
 C                  6.05946900    1.26221300    0.46911800
 H                  5.73637400    1.56598500   -0.52067300
 C                 -2.11141300    3.19877500    4.20240300
 H                 -3.05592600    3.17500000    4.73591600
 C                 -1.91574700    3.79396300   -2.15461700
 H                 -1.39143000    3.68506100   -3.09632900
 C                  7.79599700    1.17885900    2.16023100
 H                  8.81588600    1.38364500    2.47358700
 C                  0.92225500    1.98868200   -5.62634100
 H                  1.08563500    1.96285900   -6.70016700
 C                 -1.87377100   -4.29641400    2.12478700
 H                 -1.23145300   -5.02139300    1.63871500
 C                 -3.68120900    4.85233500   -0.87634200
 H                 -4.52299800    5.53695100   -0.82024800
 C                 -3.83004200   -3.83436800    3.47794500
 H                 -4.70097700   -4.18547200    4.02440200
 C                  1.94789400   -5.78844200   -0.04258200
 H                  2.76795900   -6.43218400    0.26458000
 C                  1.75628100    5.78883700    0.23736300
 H                  1.38792000    6.78467900    0.46871400
 C                  1.44163400   -3.03867900    5.26759200
 H                  1.01051400   -3.30800700    6.22763000
 C                  6.89472700    0.58170000    3.04440700
 H                  7.21088400    0.31786600    4.05010800
 C                 -6.42451300   -3.93438700   -2.36848800
 H                 -7.17268100   -4.14983800   -3.12559000
 C                 -3.01796100    4.64999800   -2.08685300
 H                 -3.34189600    5.17517200   -2.98119800
 C                  7.36876400    1.52773400    0.87757600
 H                  8.05182100    2.01976100    0.19012600
 C                  1.19892500   -6.09953300   -1.17743000
 H                  1.43930100   -6.97820500   -1.76932000
 C                 -0.17419100    4.43400200    3.42947900
 H                  0.37523700    5.36637300    3.35792200
 C                 -3.00452500   -4.74327500    2.81318900
 H                 -3.22706300   -5.80652200    2.84350500
 C                  0.12468500   -5.28200900   -1.53336500
 H                 -0.47872000   -5.51807600   -2.40543700
 C                  1.78366100    2.70666100   -4.80048700
 H                  2.62927300    3.24135000   -5.22257900
 C                 -1.40533300    4.39568700    4.08314600
 Pd                 4.96758100   -0.83928400   -1.52663900
 P                  5.20263300   -2.69163100   -0.20918100
 H                  6.24172700   -3.62136500   -0.48789100
 H                  5.46025000   -2.50243200    1.17175900
 H                  4.12432800   -3.60837600   -0.11687600
 P                  6.72234100   -1.26636100   -3.16427200
 H                  7.61068000   -2.38371100   -3.18801800
 H                  6.29327400   -1.32851300   -4.51355300
 H                  7.69326600   -0.24319600   -3.30004100
 Cl                -2.07381700    5.87047200    4.77728500
 Cl                 4.62671800    1.10572100   -2.88528500
 Cl                -2.46028100   -1.92325600   -3.22058000
          153
 3-13C'' Charge = 1  Multiplicity = 1  E = -6319.056442 a.u.  G = -6317.996038 a.u. 
 Os                -1.30759300    0.43905800    0.07020200
 P                 -0.11168300    0.78147400    2.29980800
 P                 -2.70242700   -0.00046800   -1.97709200
 P                  0.11684200   -4.12083000    0.20379500
 C                 -2.00950600   -2.33734400    0.97056700
 C                 -0.74159500   -2.50689800    0.29334400
 C                  0.49559200    2.49768800    2.75472000
 C                 -0.21095100   -1.33105200   -0.20981700
 H                  0.76455200   -1.39153100   -0.69237500
 C                 -1.41027600   -1.03337600    4.03301500
 H                 -0.95919900   -1.79070100    3.40420600
 C                 -0.73724300   -5.32662400   -0.88182700
 C                  1.83889600    2.73426000    3.09131500
 H                  2.56726000    1.93474100    3.05214800
 C                 -1.18107700    0.32813900    3.77303500
 C                 -2.39056100    3.93058500    0.17010600
 C                 -2.74330400    5.37515000    0.07040900
 C                 -3.64909100   -0.59512000    1.68449900
 H                 -4.32555700   -1.25950500    2.21915300
 C                 -3.87096100    0.76166700    1.62409700
 H                 -4.73815200    1.19820100    2.10808100
 C                 -4.00995300    5.80761600   -0.36214300
 H                 -4.78610600    5.07869200   -0.56844300
 C                 -2.93013700    1.57108700    0.90726600
 C                 -3.15970400    2.97880900    0.84973800
 C                 -1.20657400    3.54892800   -0.54104600
 H                 -0.70435100    4.32753800   -1.11116600
 C                 -2.47915900   -1.05529300    1.03892400
 C                 -0.77397300    2.26894600   -0.63516900
 C                 -4.83244000   -1.63481700   -1.08680500
 H                 -4.04873900   -2.31626100   -0.77954900
 C                 -3.29862500    2.64878200   -2.78966900
 H                 -3.66531000    2.76866300   -1.77793500
 C                 -5.54985300    0.43773200   -2.08734100
 H                 -5.34241700    1.37462400   -2.58828900
 C                 -4.50566700   -0.40876800   -1.69142600
 C                 -2.76294600    1.41627800   -3.19786800
 C                 -0.40337600    3.57382300    2.81256200
 H                 -1.44291100    3.42926100    2.55247600
 C                 -2.19730100   -1.38328900   -3.12921900
 C                  2.26214300    4.00661900    3.48222600
 H                  3.30559900    4.16223200    3.74299300
 C                 -0.44713900   -2.48224900   -4.41185500
 H                  0.60930100   -2.61235300   -4.63110700
 C                  1.35501400    5.06389000    3.55411800
 H                  1.68418500    6.04933400    3.87193000
 C                 -0.83937900   -1.60108500   -3.40090000
 H                 -0.08686000   -1.06429700   -2.83604700
 C                  2.37722500   -0.43627600    1.66855600
 H                  2.16236000   -0.15843300    0.64497700
 C                  2.94707900   -3.94491500    0.25136000
 H                  2.88911000   -4.07287200    1.32555300
 C                  1.78565400   -3.92819000   -0.53254200
 C                  1.43220000   -0.19982800    2.67541500
 C                  0.30287900   -4.83468000    1.88491800
 C                  0.16844700    1.48049500   -1.32129700
 H                 -0.14013200    1.20396200   -2.33125400
 C                  1.64643300    1.54162000   -1.22107600
 C                  2.33608200    2.42653300   -0.37730500
 H                  1.77907700    3.09727600    0.26891600
 C                  3.13688800   -3.63465900   -2.52163400
 H                  3.21003300   -3.52676100   -3.60033500
 C                  3.00012400   -1.09582300    4.30661700
 H                  3.23977800   -1.33677500    5.33918100
 C                 -3.15391300   -2.08109100   -3.88403500
 H                 -4.21092000   -1.91239600   -3.71435600
 C                 -7.19394700   -1.13507700   -1.25284700
 H                 -8.23017300   -1.41297600   -1.08238100
 C                  1.00147300   -4.52967800    4.18394300
 H                  1.41809400   -3.89204700    4.95751400
 C                  1.76055100   -0.53076800    4.00331500
 H                  1.06086200   -0.33057600    4.80631400
 C                 -2.20603100   -1.43560600    5.10455600
 H                 -2.36389700   -2.49571200    5.28258100
 C                 -1.75483500    6.34486900    0.31474000
 H                 -0.76890400    6.02951700    0.64266400
 C                  0.83624300   -4.01975800    2.89597900
 H                  1.11843000   -2.99217300    2.68983900
 C                 -3.37330100    3.72493500   -3.67431100
 H                 -3.79198300    4.66753700   -3.33338600
 C                 -6.16200200   -1.99573600   -0.87271500
 H                 -6.38758000   -2.94963700   -0.40393300
 C                 -1.76303500    1.27450400    4.62583100
 H                 -1.58907000    2.33268200    4.48125000
 C                  3.93847200   -1.31830300    3.29487500
 H                  4.91327900   -1.73449900    3.53464400
 C                  3.73436500    2.46513700   -0.35955200
 H                  4.22069600    3.15769000    0.32411700
 C                 -0.72080000   -7.47460900   -2.00420100
 H                 -0.22789400   -8.41785200   -2.22029400
 C                 -0.07848000   -6.15091300    2.17696800
 H                 -0.51898500   -6.78164100    1.41326700
 C                 -4.27758400    7.16414700   -0.53570300
 H                 -5.25977600    7.47690000   -0.87905200
 C                 -1.96768800   -7.18602200   -2.56661100
 H                 -2.44792200   -7.90954300   -3.21912400
 C                  0.01888000    4.84148800    3.21946800
 H                 -0.70382100    5.65069900    3.27209300
 C                 -1.97914000   -5.03496000   -1.45673400
 H                 -2.46277900   -4.08563400   -1.26241500
 C                 -0.10021800   -6.54664600   -1.17007600
 H                  0.87894000   -6.76821200   -0.75519800
 C                 -3.29340600    8.11826000   -0.26535100
 H                 -3.50848600    9.17563200   -0.39126300
 C                  4.49491200    1.62636800   -1.18781100
 C                  1.88567200   -3.78572400   -1.92641300
 H                  0.99356600   -3.80245700   -2.54282400
 C                  2.41981700    0.71634300   -2.06068900
 H                  1.91859700    0.03878200   -2.74897500
 C                  3.81420500    0.75310100   -2.04743100
 H                  4.36801500    0.08240400   -2.69744500
 C                 -2.75945700   -2.98133900   -4.87623400
 H                 -3.51570300   -3.50988900   -5.45010200
 C                 -1.40540600   -3.18049400   -5.14864400
 H                 -1.09957400   -3.86580500   -5.93408100
 C                  3.62791100   -0.98284400    1.97640800
 H                  4.36231500   -1.11405400    1.18765900
 C                 -6.88211400    0.07891000   -1.86235300
 H                 -7.67420200    0.75284900   -2.17639300
 C                  0.08751200   -6.65059500    3.46920600
 H                 -0.21387000   -7.67012600    3.69095800
 C                 -2.28973700    1.29495200   -4.51381300
 H                 -1.87380400    0.36011400   -4.86856000
 C                  4.19519000   -3.79336200   -0.35460600
 H                  5.09240600   -3.79060400    0.25566900
 C                  0.62954400   -5.84453600    4.47192200
 H                  0.75633700   -6.23814300    5.47630600
 C                 -2.56818600    0.87101500    5.69536100
 H                 -3.00920900    1.62478900    6.34159800
 C                 -2.58961200   -5.96623000   -2.29906300
 H                 -3.55072300   -5.73204500   -2.74629200
 C                 -2.03205900    7.70364400    0.16408400
 H                 -1.25913600    8.43713300    0.37661000
 C                  4.29263700   -3.62994300   -1.73647400
 H                  5.26695700   -3.49659700   -2.19586400
 C                 -2.79631400   -0.48239600    5.93739000
 H                 -3.41973100   -0.79314100    6.77112700
 C                 -2.89574300    3.59437600   -4.97928900
 H                 -2.94736200    4.43371100   -5.66706600
 C                 -2.35209200    2.37876100   -5.39325500
 H                 -1.97914400    2.26352100   -6.40718900
 Pd                 6.53758700    1.59028900   -1.14807800
 P                  6.36133100    3.69335000   -2.02799400
 H                  7.52197600    4.46116200   -2.32127600
 H                  5.70377400    3.81315200   -3.27765300
 H                  5.63089200    4.66837300   -1.30307900
 P                  8.96031300    1.32174200   -0.99470400
 H                  9.50865800    0.23859800   -1.72552000
 H                  9.94436100    2.30068900   -1.32286900
 H                  9.44933500    0.97726700    0.29001800
 Cl                 6.53077700   -0.67583000   -0.39171100
 Cl                -2.87382000   -3.73634500    1.67395300
 Cl                -4.54629700    3.64461900    1.80811500
          149
 3D''' Charge = 1  Multiplicity = 1  E = -12317.696243 a.u.  -12316.664604 a.u.
 Os                 0.74557600   -0.09852500   -0.03645600
 Br                 4.65788200   -2.18769000   -2.44780500
 Br                -3.14632400   -1.55131600   -2.72531100
 P                 -4.04918800    0.22119500    0.13400100
 P                  0.80781600   -1.93937600    1.78128300
 P                  0.81022900    1.68921200   -1.84513700
 C                  2.18549000   -1.15145000   -1.25319400
 C                 -1.88281900   -1.14815000   -1.20866500
 C                 -0.77140100   -2.22519000    2.74201800
 C                 -0.49235300   -1.27893800   -1.34643200
 C                  2.33020700    2.78050400   -1.95317200
 C                 -0.52043400    3.00247100   -1.86417900
 C                 -1.41673700   -1.12663400    3.33134300
 H                 -1.07139800   -0.12032200    3.12190300
 C                 -2.28485900   -0.13712900   -0.21735100
 C                 -4.25099700    1.13376100    1.71975600
 C                  2.42449100    0.59661900    0.86512900
 C                  3.37089800   -1.80663000    2.96652300
 H                  3.70418600   -2.20122700    2.01380400
 C                  1.58382400   -1.87460400   -2.32646700
 H                  2.18463900   -2.37399900   -3.07902100
 C                  4.36779900   -0.50997900   -0.14639000
 C                 -0.97502200    3.54445600   -0.65483400
 H                 -0.63976500    3.12486700    0.28417400
 C                  1.29237800    2.69110800    1.87944400
 C                  2.00400600   -1.56834500    3.19223500
 C                 -4.53411100   -2.34070100    1.11762600
 H                 -3.61899300   -2.19961600    1.68237000
 C                  3.75934600    0.40101600    0.78242800
 H                  4.41733900    0.86971800    1.51063100
 C                 -5.25468000   -3.52798900    1.26018400
 H                 -4.88956500   -4.29250500    1.93938000
 C                  3.60637700   -1.17465900   -1.11107600
 C                 -4.86260400    1.33926300   -1.07611200
 C                  0.20334100   -1.93670800   -2.39184400
 H                 -0.30667100   -2.42186300   -3.22106800
 C                 -1.23372300    0.44769600    0.45696200
 H                 -1.48748700    1.16551500    1.23701400
 C                  0.27953100    3.14336800    2.74837500
 H                 -0.38028900    2.41977600    3.22190000
 C                 -3.75433500    2.44540200    1.80675900
 H                 -3.23202600    2.89056200    0.96630100
 C                  0.70262000    1.04414300   -3.60171400
 C                  1.60995900   -1.09754400    4.45244200
 H                  0.56407900   -0.93150100    4.68048900
 C                  5.83606400   -0.68609900    0.04072500
 C                  1.80491200    0.99684500   -4.46528300
 H                  2.77390400    1.35925300   -4.14794500
 C                  1.45228100    1.23333200    1.66242800
 H                  1.18136000    0.69249800    2.56772000
 C                 -0.53557100    0.58665700   -4.07661000
 H                 -1.40855300    0.61284100   -3.43626600
 C                  1.75722600   -4.51377600    2.50054200
 H                  1.69547800   -4.14865000    3.51992000
 C                 -6.43102000   -3.72903300    0.53486700
 H                 -6.98679400   -4.65578600    0.64552400
 C                  4.74339400    2.98049900   -2.21129800
 H                  5.71303600    2.49938300   -2.30304400
 C                 -4.68346300    2.65266400    4.03165400
 H                 -4.85573400    3.24345900    4.92666800
 C                 -4.20200400    1.80029900   -2.21872700
 H                 -3.18177600    1.50099000   -2.42085600
 C                  4.31373300   -1.56962400    3.96539400
 H                  5.36325000   -1.76427400    3.76328300
 C                 -1.81847600    4.65871500   -0.64437000
 H                 -2.13172700    5.08349400    0.30558500
 C                  4.63810900    4.37127700   -2.26040800
 H                  5.52623900    4.98448300   -2.38409700
 C                  1.39720700   -3.67955200    1.42454500
 C                 -6.16707500    3.06967400   -2.84238000
 H                 -6.67489600    3.73765500   -3.53206500
 C                 -6.18628000   -1.54225200   -0.47433400
 H                 -6.54890300   -0.78583400   -1.16080900
 C                 -4.85733700    2.66433600   -3.09897800
 H                 -4.33562900    3.02180400   -3.98088400
 C                  1.50150500   -4.18256000    0.12393400
 H                  1.23720000   -3.56270800   -0.71750100
 C                 -5.00844600   -1.33782800    0.25702800
 C                  2.23522000    4.18006800   -2.00796100
 H                  1.27561100    4.67371300   -1.92962000
 C                  3.91085800   -1.08656000    5.21215500
 H                  4.64481100   -0.90205000    5.99142500
 C                 -6.82241000    2.62800400   -1.68927800
 H                 -7.83626100    2.95389800   -1.47663400
 C                  3.60074200    2.19345200   -2.05119400
 H                  3.70435800    1.11750000   -2.01929700
 C                 -0.67160400    0.09325400   -5.37391800
 H                 -1.64369200   -0.25238300   -5.71482000
 C                 -5.20005600    1.36002500    3.93681000
 H                 -5.77996900    0.94225000    4.75478000
 C                 -3.96030700    3.19366000    2.96473500
 H                 -3.57176500    4.20614500    3.02554300
 C                  2.15764500    3.65453400    1.33374700
 H                  2.97545400    3.33873800    0.69646100
 C                 -6.17237000    1.77258300   -0.80217200
 H                 -6.68187000    1.45114000    0.10159300
 C                  6.39805500   -1.95051700    0.28843600
 H                  5.76466600   -2.83178200    0.27809800
 C                 -4.98271600    0.59637200    2.78673500
 H                 -5.39140700   -0.40568400    2.72519500
 C                 -2.48137700   -1.31080500    4.21679800
 H                 -2.94311100   -0.44680200    4.68369000
 C                  6.67370900    0.44114400    0.08152000
 H                  6.25131000    1.42698200   -0.09089000
 C                  0.10710500    4.49697900    3.03348700
 H                 -0.67319200    4.82217600    3.71366000
 C                 -0.93016300    3.60440900   -3.06626800
 H                 -0.56698200    3.23080400   -4.01638000
 C                  8.58825700   -0.95613700    0.56123400
 H                  9.65135800   -1.06230200    0.75764200
 C                  0.43636500    0.03860100   -6.22187600
 H                  0.33519200   -0.34762000   -7.23214300
 C                 -1.26292100   -3.51119900    3.01380000
 H                 -0.79196000   -4.37772100    2.56782200
 C                 -2.23138400    5.24174200   -1.84316500
 H                 -2.88299000    6.11084000   -1.83385500
 C                 -2.94434800   -2.59714700    4.50082200
 H                 -3.76500500   -2.74262700    5.19780600
 C                  2.20676800   -5.81416500    2.27454400
 H                  2.47962200   -6.44043800    3.11928900
 C                  3.38046200    4.96591200   -2.15621500
 H                  3.28166000    6.04720900   -2.19642800
 C                  2.55736100   -0.85562000    5.45222100
 H                  2.22710300   -0.49511900    6.42245200
 C                  7.75993700   -2.08156400    0.55377200
 H                  8.17573200   -3.06564300    0.75134300
 C                 -6.89158000   -2.73824800   -0.33477700
 H                 -7.80044100   -2.89340400   -0.90847600
 C                 -1.78467100    4.70913500   -3.05373200
 H                 -2.08207300    5.16490800   -3.99435000
 C                  8.04123700    0.30536900    0.32189500
 H                  8.67667100    1.18654600    0.32937500
 C                  2.32105100   -6.30146700    0.96937800
 H                  2.68877700   -7.30833300    0.79219900
 C                  1.99733000    5.01282500    1.60585600
 H                  2.67652800    5.73844800    1.17191400
 C                 -2.34207600   -3.69426000    3.88303300
 H                 -2.69479200   -4.70094100    4.09160400
 C                  1.97001400   -5.48191300   -0.10240000
 H                  2.06729100   -5.84222000   -1.12290900
 C                  1.67196100    0.49290700   -5.76227500
 H                  2.54141600    0.46606800   -6.41302200
 C                  0.96581600    5.42711900    2.44742400
 Pd                -1.78530100   -3.21632200   -0.65326600
 P                 -1.86374200   -5.53844700   -0.47720800
 H                 -1.43540500   -6.27066200    0.66744600
 H                 -3.12428600   -6.19064400   -0.60896400
 H                 -1.17906900   -6.34174500   -1.43138300
 Br                 0.73536600    7.29441700    2.82235600
          149
 3-3Ts''' Charge = 1  Multiplicity = 1  E = -12317.690346 a.u.  G = -12316.661432 a.u.
 Os                 0.80014800   -0.17376500   -0.00510100
 Br                 4.44608100   -2.74101400   -2.37097000
 Br                -3.37815800   -1.36339300   -2.72754500
 P                 -3.92289800    0.64664500    0.20177300
 P                  0.65568900   -1.99008400    1.81028300
 P                  1.03132700    1.55724900   -1.86966800
 C                  2.11274200   -1.40590300   -1.19615700
 C                 -1.91841800   -1.05237500   -1.03073000
 C                 -0.91853600   -2.04960100    2.81835900
 C                 -0.56462600   -1.26019400   -1.26858000
 C                  2.65930700    2.47305100   -2.01299800
 C                 -0.15149300    3.00396500   -1.91505200
 C                 -1.39462300   -0.87195500    3.41687700
 H                 -0.92933200    0.07979800    3.18349400
 C                 -2.21558900    0.06555200   -0.13199300
 C                 -3.99787200    1.64649000    1.74743200
 C                  2.55071600    0.37116700    0.86161000
 C                  3.25480200   -2.19180400    2.88216200
 H                  3.49127700   -2.61253700    1.91160900
 C                  1.42766500   -2.08855000   -2.24402700
 H                  1.96421100   -2.66795200   -2.98764600
 C                  4.36355800   -0.95105500   -0.13699000
 C                 -0.52483000    3.63527700   -0.72121600
 H                 -0.22225900    3.21655600    0.22926700
 C                  1.62909500    2.57774800    1.84837900
 C                  1.93901700   -1.79117400    3.17027400
 C                 -4.73841600   -1.78102800    1.30678200
 H                 -3.80292800   -1.74570400    1.85467200
 C                  3.85867500    0.04413600    0.76845900
 H                  4.56825700    0.46699600    1.47610500
 C                 -5.62491900   -2.83765100    1.52580300
 H                 -5.36224300   -3.61152400    2.24097000
 C                  3.52576800   -1.57236500   -1.06592500
 C                 -4.58800000    1.80531200   -1.05786200
 C                  0.04670600   -2.00940200   -2.29341400
 H                 -0.52498400   -2.47932300   -3.09091800
 C                 -1.09796700    0.59500400    0.48418800
 H                 -1.26640200    1.38440600    1.21687300
 C                  0.66612200    3.14232900    2.70784400
 H                 -0.05656300    2.49532000    3.19971900
 C                 -3.39020800    2.91349500    1.75428500
 H                 -2.86673700    3.27548700    0.87555700
 C                  0.83325800    0.88502400   -3.60769900
 C                  1.65705400   -1.29140000    4.44900300
 H                  0.64963500   -1.00028800    4.72140900
 C                  5.81007900   -1.26346600    0.04071900
 C                  1.89792200    0.78325600   -4.51293800
 H                  2.89475700    1.10044300   -4.23556300
 C                  1.65420600    1.10795600    1.66134500
 H                  1.35037600    0.60617500    2.57898500
 C                 -0.44332800    0.48525200   -4.03246700
 H                 -1.28963600    0.54606500   -3.35927200
 C                  1.34428300   -4.67155500    2.46183900
 H                  1.52250700   -4.29222400    3.46149500
 C                 -6.83496400   -2.89664000    0.83056200
 H                 -7.52156000   -3.72073600    1.00244300
 C                  5.07471000    2.40628200   -2.31140800
 H                  5.98433800    1.82165700   -2.41577500
 C                 -4.20705600    3.29903900    3.99938500
 H                 -4.29360900    3.94184100    4.87064100
 C                 -3.89021200    2.09895000   -2.23286000
 H                 -2.92931000    1.64137700   -2.42654400
 C                  4.26055200   -2.08746000    3.84127200
 H                  5.26919000   -2.40453000    3.59183900
 C                 -1.24172400    4.83490100   -0.74264000
 H                 -1.49165400    5.32488500    0.19457400
 C                  5.12086500    3.80010700   -2.37087900
 H                  6.06841700    4.31160500   -2.51452800
 C                  0.93560600   -3.80192400    1.43208200
 C                 -5.66471700    3.60015800   -2.91012600
 H                 -6.08490300    4.29309800   -3.63334100
 C                 -6.28862900   -0.82774600   -0.30272100
 H                 -6.54821600   -0.06279500   -1.02508600
 C                 -4.43173700    2.99609800   -3.15601400
 H                 -3.88197900    3.22219200   -4.06394300
 C                  0.69902000   -4.33736200    0.16123700
 H                  0.37189700   -3.69703700   -0.64157100
 C                 -5.07980300   -0.76229700    0.40184100
 C                  2.71612100    3.87413100   -2.08085300
 H                  1.81592900    4.46895600   -1.99704300
 C                  3.97173000   -1.57492100    5.10800700
 H                  4.75470000   -1.49246500    5.85643800
 C                 -6.35451300    3.32489000   -1.72579700
 H                 -7.30709200    3.80497900   -1.52223500
 C                  3.85627900    1.74917500   -2.12587100
 H                  3.84360100    0.66787000   -2.08820300
 C                 -0.65191100   -0.00461000   -5.32136900
 H                 -1.65123600   -0.30842800   -5.62042000
 C                 -4.83187200    2.05151500    3.98563400
 H                 -5.41121500    1.72144800    4.84317400
 C                 -3.48577400    3.72793500    2.88174200
 H                 -3.01196900    4.70528100    2.87886100
 C                  2.57864700    3.44321500    1.27890300
 H                  3.36031300    3.03772400    0.64671200
 C                 -5.81693100    2.43740700   -0.79595400
 H                 -6.35024700    2.24585100    0.13070800
 C                  6.25150200   -2.56792700    0.32408300
 H                  5.53702100   -3.38460900    0.34710100
 C                 -4.72685500    1.22201600    2.86591400
 H                 -5.22171400    0.25788400    2.86782300
 C                 -2.44195600   -0.91166800    4.34002300
 H                 -2.77288600    0.00741600    4.81304500
 C                  6.75289700   -0.22173100    0.03865600
 H                  6.42565400    0.79458600   -0.16111500
 C                  0.62187100    4.51252000    2.96146500
 H                 -0.12319700    4.92461000    3.63396300
 C                 -0.51512200    3.60152500   -3.13392800
 H                 -0.21424900    3.15348700   -4.07357100
 C                  8.53001300   -1.78100300    0.54742200
 H                  9.58014100   -1.98286000    0.73843200
 C                  0.41860400   -0.11339300   -6.21146200
 H                  0.26028000   -0.49783600   -7.21506600
 C                 -1.56337200   -3.25959400    3.11773900
 H                 -1.22530800   -4.18289300    2.66363300
 C                 -1.60688600    5.41648100   -1.95747400
 H                 -2.15859800    6.35211000   -1.97311400
 C                 -3.05706700   -2.12605300    4.65319700
 H                 -3.86392000   -2.15949000    5.38003800
 C                  1.52820000   -6.03150200    2.21428400
 H                  1.84760100   -6.68304200    3.02281700
 C                  3.93764800    4.52942600   -2.25273100
 H                  3.95663500    5.61466000   -2.30273300
 C                  2.66856300   -1.18131600    5.40842000
 H                  2.42723400   -0.79505100    6.39475000
 C                  7.59741600   -2.82110800    0.58262700
 H                  7.91901900   -3.83414200    0.80775300
 C                 -7.16078900   -1.89602200   -0.08731200
 H                 -8.09457100   -1.94369200   -0.63953900
 C                 -1.24218800    4.79378900   -3.15238100
 H                 -1.50512200    5.24429800   -4.10567800
 C                  8.10367600   -0.48093400    0.27200100
 H                  8.82064300    0.33489100    0.24598200
 C                  1.31300900   -6.55045500    0.93472800
 H                  1.47283900   -7.60708400    0.73905600
 C                  2.54784400    4.81615000    1.52055700
 H                  3.29064000    5.46481500    1.06930400
 C                 -2.62557500   -3.29558700    4.02599200
 H                 -3.09792900   -4.24657600    4.25778100
 C                  0.89601500   -5.69995800   -0.08794100
 H                  0.73187200   -6.08680400   -1.09007600
 C                  1.69106800    0.28225700   -5.80183900
 H                  2.53268500    0.21193300   -6.48515500
 C                  1.56241000    5.34434900    2.35396400
 Pd                -2.59395400   -2.96577900   -0.74890900
 P                 -3.15410400   -5.24684300   -0.52028600
 H                 -3.27717300   -5.86986900    0.75542000
 H                 -4.38160900   -5.74185500   -1.04644600
 H                 -2.32461800   -6.24997600   -1.09475400
 Br                 1.51073800    7.23264200    2.68788400
          149
 3-8Ts''' Charge = 1  Multiplicity = 1  E = -12317.687142 a.u.  G = -12316.657226 a.u.
 Os                 0.34441600   -0.04144900    0.09665400
 Br                -2.44288300   -2.97087400   -2.66419100
 P                 -4.29891000   -1.14886100   -0.31257600
 P                  0.61042800   -1.98132400    1.69327800
 P                  0.00358300    1.78038600   -1.68508200
 C                  2.16192200   -0.54821200   -0.95778400
 C                 -1.67056200   -1.70204800   -1.40246600
 C                 -0.89700100   -2.55710700    2.64078000
 C                 -0.32762000   -1.44217100   -1.36704200
 C                  0.97631600    3.38348400   -1.60118300
 C                 -1.71131700    2.50306200   -1.85554500
 C                 -1.77226800   -1.60886100    3.18958100
 H                 -1.64980100   -0.56175100    2.94138600
 C                 -2.47885700   -0.95674200   -0.45507600
 C                 -4.94915500   -0.31313100    1.18925100
 C                  1.65461200    1.05186000    1.20583500
 C                  3.11526500   -1.40869800    2.89199700
 H                  3.49208400   -1.37609600    1.87173700
 C                  1.95261800   -1.51546700   -1.99247600
 H                  2.77009500   -1.85394700   -2.61953100
 C                  3.91005300    0.90478400    0.21119800
 C                 -2.35711400    2.96409300   -0.69851500
 H                 -1.92662700    2.76902900    0.27618200
 C                 -0.18093300    2.59206800    2.17944500
 C                  1.75934900   -1.67281400    3.13972400
 C                 -4.02314000   -3.74879500    0.66914400
 H                 -3.17383500   -3.35827200    1.21976200
 C                  2.97277300    1.36784800    1.19759500
 H                  3.36711500    2.02447200    1.97044300
 C                 -4.37432000   -5.09175200    0.80446400
 H                 -3.79551000   -5.72963200    1.46541800
 C                  3.48680500   -0.02719400   -0.76969700
 C                 -5.23570700   -0.39247000   -1.69894000
 C                  0.67788900   -1.98670300   -2.19874400
 H                  0.46260600   -2.71313100   -2.97986600
 C                 -1.74291900   -0.09976000    0.34662400
 H                 -2.29308900    0.51003300    1.06276400
 C                 -1.35650900    2.63852700    2.95400300
 H                 -1.76680200    1.71677300    3.35908800
 C                 -4.93779300    1.08993900    1.24709200
 H                 -4.51466500    1.66867600    0.43358200
 C                  0.37136700    1.20928900   -3.43013000
 C                  1.32062300   -1.72158100    4.47298800
 H                  0.28473700   -1.92759600    4.70937100
 C                  5.28371400    1.49061600    0.34965600
 C                  1.48951900    1.66202700   -4.14308500
 H                  2.17485800    2.37571900   -3.70429900
 C                  0.47896000    1.28478900    1.94624400
 H                  0.33730800    0.61915700    2.79891000
 C                 -0.49819700    0.30314800   -4.05989000
 H                 -1.37184400   -0.06253600   -3.53489700
 C                  2.39741300   -4.22447400    1.42879200
 H                  3.01861500   -3.75942000    2.18355300
 C                 -5.45737400   -5.61088600    0.09116900
 H                 -5.72449000   -6.65860000    0.19461700
 C                  3.12302900    4.51965000   -1.40835100
 H                  4.20006300    4.45926400   -1.28528400
 C                 -6.08127800    1.01343500    3.37836500
 H                 -6.52647600    1.52808900    4.22501800
 C                 -4.61916700   -0.07730400   -2.91491000
 H                 -3.55871000   -0.24449300   -3.05066700
 C                  4.01081800   -1.22613600    3.94659100
 H                  5.06071600   -1.04940300    3.72908500
 C                 -3.52142200    3.73059900   -0.79058700
 H                 -3.98114800    4.11407200    0.11652100
 C                  2.49254100    5.76056200   -1.50590300
 H                  3.07553100    6.67621000   -1.46397400
 C                  1.21996200   -3.60249500    0.99000400
 C                 -6.74220400    0.68233500   -3.79539400
 H                 -7.32701200    1.09685700   -4.61143200
 C                 -5.85517800   -3.43706200   -0.89641200
 H                 -6.42714400   -2.80679100   -1.56830900
 C                 -5.37480600    0.45914900   -3.95896000
 H                 -4.88938900    0.70317500   -4.89900600
 C                  0.42110800   -4.26881400    0.04530100
 H                 -0.51043800   -3.82862600   -0.28723300
 C                 -4.76609500   -2.91849200   -0.18311900
 C                  0.35461100    4.63782300   -1.71272900
 H                 -0.71716100    4.71907400   -1.83243000
 C                  3.56356700   -1.26989100    5.26823500
 H                  4.26001100   -1.11936800    6.08826600
 C                 -7.35887500    0.38066100   -2.57808500
 H                 -8.42087200    0.56251800   -2.44243100
 C                  2.37136900    3.34383800   -1.45801500
 H                  2.87737200    2.39152300   -1.39520200
 C                 -0.25790400   -0.13698500   -5.36109900
 H                 -0.94983400   -0.83339500   -5.82712000
 C                 -6.10948900   -0.38033300    3.31384800
 H                 -6.57948400   -0.95452200    4.10705700
 C                 -5.49368500    1.74692700    2.34391500
 H                 -5.48067600    2.83230600    2.38221500
 C                  0.34510100    3.81380600    1.72376300
 H                  1.26678600    3.82112300    1.15334600
 C                 -6.61078100   -0.15073900   -1.52894900
 H                 -7.09577100   -0.37016000   -0.58263400
 C                  5.92139700    1.41959700    1.60368800
 H                  5.44335400    0.87469900    2.41176200
 C                 -5.54293900   -1.04742700    2.22491100
 H                 -5.57451100   -2.12995600    2.18521600
 C                 -2.77593900   -1.99186200    4.08188800
 H                 -3.43238500   -1.23815100    4.50535600
 C                  5.91614700    2.22322800   -0.66943200
 H                  5.44474200    2.32315000   -1.63828300
 C                 -2.00365900    3.84087500    3.23630100
 H                 -2.90355100    3.85244200    3.84212600
 C                 -2.26630200    2.81779200   -3.10544300
 H                 -1.77183000    2.50816200   -4.01834900
 C                  7.78642900    2.72570700    0.78869000
 H                  8.75182600    3.19546000    0.95354400
 C                  0.86648000    0.31183900   -6.05715400
 H                  1.05795600   -0.03237100   -7.06948300
 C                 -1.05709500   -3.90503600    3.00125700
 H                 -0.38200800   -4.65859700    2.61365700
 C                 -4.07386100    4.02791300   -2.03829600
 H                 -4.97649600    4.62819600   -2.10889900
 C                 -2.92984000   -3.33524300    4.42986400
 H                 -3.70597800   -3.63459600    5.12870200
 C                  2.77578100   -5.46959300    0.91745400
 H                  3.68723400   -5.93851800    1.27827300
 C                  1.10794400    5.81284100   -1.66486700
 H                  0.60314200    6.77088900   -1.75397100
 C                  2.21504500   -1.51203100    5.52562800
 H                  1.85141000   -1.55100900    6.54857100
 C                  7.16288400    2.01521500    1.81671800
 H                  7.64073500    1.92762000    2.78867800
 C                 -6.19560000   -4.78303900   -0.75715000
 H                 -7.03603400   -5.18349700   -1.31628000
 C                 -3.44496500    3.56335900   -3.19330700
 H                 -3.85548600    3.79945200   -4.17116200
 C                  7.15181500    2.83407900   -0.44896300
 H                  7.61767100    3.39701000   -1.25312200
 C                  1.98513400   -6.11430600   -0.03302500
 H                  2.28041500   -7.08317500   -0.42577500
 C                 -0.28956800    5.02504600    1.99612100
 H                  0.13432000    5.95437800    1.63221500
 C                 -2.07046100   -4.28980500    3.88307700
 H                 -2.17142500   -5.33650200    4.15711600
 C                  0.80105400   -5.51142200   -0.46218100
 H                  0.16596000   -6.00713600   -1.19119000
 C                  1.73592000    1.21210300   -5.44357300
 H                  2.61021900    1.57749300   -5.97468300
 C                 -1.46695700    5.02999000    2.74358600
 Pd                 4.76625800   -1.62480100   -0.28422700
 Br                 4.76363000   -0.16606300   -2.55502500
 P                  6.18662700   -3.33896900    0.40122000
 H                  7.58859200   -3.09842300    0.46921300
 H                  6.09223300   -3.98894200    1.66767100
 H                  6.27678800   -4.53465000   -0.36718500
 Br                -2.35229800    6.69198400    3.11260400
          149
 3-13Ts''' Charge = 1  Multiplicity = 1  E = -12317.678965 a.u.  G = -12316.650849 a.u.
Os                -0.67840500    0.87797300   -0.03363200
 P                  0.25179400    0.46701600    2.31133600
 P                 -1.85421600    1.31223800   -2.22889400
 Br                -1.67036900    5.49867500    1.73317000
 Br                -4.66231200   -1.65042400    1.27614700
 Br                 6.04487000   -2.95297900    0.56389100
 P                 -2.14620200   -3.67399600   -0.05417900
 C                 -2.94086600   -0.98260000    0.65704100
 C                 -1.93954700   -1.85825200    0.07718500
 C                  1.70877100    1.48664200    2.90664000
 C                 -0.78598100   -1.20219500   -0.31706600
 H                  0.01886500   -1.81438700   -0.72373900
 C                 -2.03071100   -0.20207100    3.84856000
 H                 -2.06112600   -1.09386800    3.23448700
 C                 -3.38489300   -4.16606000   -1.31423600
 C                  2.87223100    0.88099200    3.40948000
 H                  2.97369200   -0.19610900    3.42518000
 C                 -1.01700600    0.75285600    3.66192200
 C                  0.42458400    4.36445700    0.13460300
 C                  0.97697200    5.74604200    0.04868800
 C                 -3.33943500    1.39492700    1.31107400
 H                 -4.32684500    1.24912400    1.74513500
 C                 -2.73622900    2.62979100    1.30372200
 H                 -3.24738400    3.48736700    1.72735700
 C                  0.24646300    6.80221400   -0.52418800
 H                 -0.77365800    6.63535100   -0.85435400
 C                 -1.43152700    2.75215400    0.72430500
 C                 -0.80136400    4.03117000    0.72371700
 C                  1.23197700    3.36402600   -0.49717200
 H                  2.13908600    3.70572500   -0.99084000
 C                 -2.59092600    0.33507600    0.75025200
 C                  0.86194300    2.06534300   -0.60277900
 C                 -4.60992000    1.22994200   -1.60382500
 H                 -4.39732400    0.22752800   -1.25321900
 C                 -0.72747400    3.80705700   -2.95498600
 H                 -1.06024000    4.12516500   -1.97490300
 C                 -3.89681400    3.31517300   -2.58157200
 H                 -3.13934200    3.94969400   -3.02347200
 C                 -3.57764000    2.02950800   -2.12384400
 C                 -0.96065000    2.48783900   -3.37664700
 C                  1.63654500    2.88828200    2.90198800
 H                  0.75705500    3.38682400    2.51776100
 C                 -2.12153900   -0.12110600   -3.39724700
 C                  3.92593700    1.65726500    3.89716300
 H                  4.81406800    1.16458600    4.28335200
 C                 -1.17550500   -2.01075700   -4.60269000
 H                 -0.35477200   -2.70684900   -4.75541300
 C                  3.83616600    3.04938100    3.90203400
 H                  4.65240600    3.65035100    4.29283800
 C                 -1.09687100   -1.06060700   -3.58147800
 H                 -0.22179400   -1.02947600   -2.94299000
 C                  1.59924100   -1.98508300    1.81890800
 H                  1.70771200   -1.62596100    0.80407700
 C                  0.18049000   -5.26727600    0.25518800
 H                 -0.10312500   -5.38915500    1.29368900
 C                 -0.58935000   -4.47805300   -0.60914500
 C                  0.86959900   -1.23994200    2.75444400
 C                 -2.59514100   -4.40081000    1.56963300
 C                  1.26948900    0.86453700   -1.21537800
 H                  0.98325300    0.77085100   -2.26405200
 C                  2.50802100    0.10864000   -0.92500500
 C                  3.46772400    0.54360000    0.00939600
 H                  3.30068900    1.46531100    0.55597500
 C                  0.92782000   -4.99582300   -2.42713800
 H                  1.20904000   -4.90066400   -3.47219800
 C                  1.41468500   -2.90460500    4.44497600
 H                  1.35113600   -3.24655200    5.47464900
 C                 -3.23525300   -0.16645900   -4.25050300
 H                 -4.03007400    0.56324900   -4.15002900
 C                 -6.22037700    2.99817100   -1.96885200
 H                 -7.23781500    3.37361100   -1.90731800
 C                 -2.13667400   -4.57952400    3.94037400
 H                 -1.54255700   -4.29284100    4.80263400
 C                  0.78980700   -1.71143400    4.07758700
 H                  0.25845100   -1.14098100    4.83030400
 C                 -3.00621800   -0.02894200    4.82975500
 H                 -3.77564200   -0.78564300    4.95610100
 C                  2.30271400    5.98752300    0.44738400
 H                  2.88556800    5.17952200    0.87939400
 C                 -1.83528300   -4.03526400    2.69178700
 H                 -1.01545300   -3.32971400    2.60119100
 C                 -0.08021300    4.72061600   -3.78721300
 H                  0.08913000    5.73458400   -3.43665600
 C                 -5.91794800    1.70737500   -1.53034900
 H                 -6.69815000    1.06808400   -1.12620300
 C                 -1.00455200    1.88122700    4.49196400
 H                 -0.22694700    2.62839600    4.40168900
 C                  2.14257700   -3.63785100    3.50420900
 H                  2.64538800   -4.55553800    3.79690900
 C                  4.62732700   -0.18855400    0.25651700
 H                  5.33082900    0.13959500    1.01437000
 C                 -4.42248800   -5.92499000   -2.61953900
 H                 -4.50527600   -6.97537000   -2.88246000
 C                 -3.65817300   -5.30325800    1.70687300
 H                 -4.26606600   -5.57703700    0.85192500
 C                  0.82194900    8.06191800   -0.67940100
 H                  0.24456000    8.86320000   -1.13201700
 C                 -5.23935900   -4.97631400   -3.24150000
 H                 -5.96320100   -5.29094100   -3.98772100
 C                  2.68496700    3.66203600    3.40546700
 H                  2.59357600    4.74443500    3.40749700
 C                 -4.19301100   -3.21667900   -1.94968500
 H                 -4.09949000   -2.16574200   -1.70611100
 C                 -3.49109300   -5.52413300   -1.66359700
 H                 -2.84544400   -6.26458400   -1.20030700
 C                  2.13109200    8.29669900   -0.25092200
 H                  2.57356800    9.28240400   -0.36305900
 C                  4.87730500   -1.35762500   -0.48866100
 C                 -0.21626300   -4.35311500   -1.95758000
 H                 -0.82731500   -3.77254900   -2.64007000
 C                  2.77558800   -1.07702600   -1.64076600
 H                  2.06480100   -1.42037200   -2.38905700
 C                  3.92882400   -1.82645600   -1.41777400
 H                  4.09547800   -2.75683300   -1.95031200
 C                 -3.32440500   -1.13426700   -5.25395900
 H                 -4.19371700   -1.15015200   -5.90553400
 C                 -2.29308000   -2.05552100   -5.43833400
 H                 -2.35335100   -2.79446300   -6.23221300
 C                  2.23622300   -3.17235600    2.19212300
 H                  2.81963600   -3.71620400    1.45605700
 C                 -5.20660700    3.79641000   -2.49607700
 H                 -5.42913400    4.79734400   -2.85485500
 C                 -3.95438100   -5.83860500    2.96101500
 H                 -4.78265300   -6.53338400    3.06389900
 C                 -0.51751800    2.10444300   -4.65232600
 H                 -0.68452900    1.09949000   -5.01937700
 C                  1.32067100   -5.91514400   -0.22603300
 H                  1.90845100   -6.53297900    0.44631700
 C                 -3.19541500   -5.48010300    4.07702700
 H                 -3.43066800   -5.89909600    5.05108400
 C                 -1.98883800    2.05881900    5.46886700
 H                 -1.95726800    2.94289300    6.09936700
 C                 -5.11739800   -3.62592700   -2.91285400
 H                 -5.73821900   -2.88434500   -3.40588500
 C                  2.86838200    7.25602200    0.31549000
 H                  3.88821200    7.42746700    0.64843000
 C                  1.69838500   -5.77820900   -1.56204700
 H                  2.58283100   -6.28889900   -1.93177700
 C                 -2.99409600    1.10863700    5.63988000
 H                 -3.75566000    1.24690300    6.40215400
 C                  0.36158700    4.32683600   -5.05137400
 H                  0.87148400    5.03555000   -5.69769400
 C                  0.14306900    3.01745100   -5.47811300
 H                  0.47903300    2.69944200   -6.46111200
 Pd                 6.73047700   -1.27319000   -1.32074600
 P                  8.76472200   -0.92519200   -2.45673600
 H                  9.92091700   -1.69426000   -2.14627100
 H                  8.84295200   -1.08786500   -3.86868600
 H                  9.40456100    0.34540100   -2.41106000
          149
 3-3C''' Charge = 1  Multiplicity = 1  E = -12317.715842 a.u.  G = -12316.683005 a.u.
 Os                 0.93238000   -0.25537400    0.18002400
 Br                 4.06283500   -3.49119900   -2.05910400
 Br                -3.39112900   -2.42251900   -3.07810300
 P                 -3.60026900    1.14460500    0.34615000
 P                  0.59689100   -1.73163600    2.21435000
 P                  1.21082900    1.04866500   -1.99085800
 C                  1.98388800   -1.86517400   -0.77618000
 C                 -1.96184800   -0.91950400   -0.51162800
 C                 -0.76630100   -1.28589000    3.41528300
 C                 -0.68876100   -1.39890200   -0.72251400
 C                  2.84623900    1.89256100   -2.33938900
 C                  0.04250400    2.48681700   -2.24803000
 C                 -1.04975100    0.06136600    3.67969300
 H                 -0.55931300    0.83404300    3.10032100
 C                 -1.97249300    0.38198300    0.12648600
 C                 -3.62821700    2.43127300    1.64671400
 C                  2.79717000    0.19824500    0.84404500
 C                  3.27414400   -2.29698700    2.95984800
 H                  3.36655600   -2.69009000    1.95503400
 C                  1.11284400   -2.77045300   -1.45167700
 H                  1.50066000   -3.62968300   -1.98893000
 C                  4.38046300   -1.42970700   -0.09212900
 C                 -0.04257400    3.46705800   -1.24563700
 H                  0.49691400    3.34032400   -0.31480100
 C                  2.15735800    2.61635700    1.51112500
 C                  2.05003000   -1.75982100    3.39227900
 C                 -4.16056200   -1.26349900    1.70191100
 H                 -3.10699200   -1.27232900    1.95799400
 C                  4.05218400   -0.28398300    0.71303200
 H                  4.85948400    0.14959600    1.29923300
 C                 -5.03630200   -2.14248000    2.37637200
 H                 -4.61559500   -2.90356300    3.02592400
 C                  3.39502000   -2.10567400   -0.81448000
 C                 -4.33707800    1.90291600   -1.15136100
 C                 -0.24942900   -2.55162600   -1.40702900
 H                 -0.94173600   -3.22037000   -1.91294000
 C                 -0.76474700    0.89462900    0.56109300
 H                 -0.77234400    1.87207900    1.04662900
 C                  1.30185500    3.40558600    2.30507900
 H                  0.56880000    2.92090100    2.94542400
 C                 -2.94084800    3.63505300    1.41641000
 H                 -2.41022600    3.79479100    0.48289400
 C                  0.98940100    0.06351900   -3.56926100
 C                  1.96731300   -1.24912500    4.69702600
 H                  1.04113400   -0.82812800    5.06877400
 C                  5.81288600   -1.83778700   -0.02270900
 C                  2.02391600   -0.08820400   -4.50540100
 H                  2.99792800    0.34882900   -4.33228200
 C                  2.04997100    1.14068000    1.57888100
 H                  1.77330600    0.81638600    2.58353400
 C                 -0.26070100   -0.50574300   -3.86112100
 H                 -1.08323800   -0.41493700   -3.16281100
 C                  1.11517100   -4.56955800    2.32250200
 H                  2.04989600   -4.33705700    2.81524800
 C                 -6.40996900   -2.00037100    2.24734000
 H                 -7.07995200   -2.66059800    2.79038500
 C                  5.25345100    1.70805300   -2.65113700
 H                  6.14975900    1.09445300   -2.64621500
 C                 -3.66637700    4.45623500    3.57466300
 H                 -3.68570500    5.24454600    4.32157300
 C                 -4.05029900    1.37636100   -2.41927600
 H                 -3.36251900    0.54676600   -2.53204400
 C                  4.37798600   -2.33948700    3.81175400
 H                  5.31218800   -2.76119800    3.45200200
 C                 -0.77168900    4.63942200   -1.45490200
 H                 -0.78825800    5.40293200   -0.68114500
 C                  5.32483600    3.05579700   -3.00887400
 H                  6.27949100    3.50327200   -3.27072700
 C                  0.23808700   -3.54881100    1.92965500
 C                 -5.57635400    2.96990400   -3.41696200
 H                 -6.05947000    3.38286400   -4.29787000
 C                 -6.10149100   -0.12654700    0.73440900
 H                 -6.51804300    0.65435600    0.10594900
 C                 -4.67440300    1.91187200   -3.54643100
 H                 -4.45305900    1.49580200   -4.52458400
 C                 -0.98532000   -3.91500800    1.34225600
 H                 -1.69220200   -3.15342600    1.03709400
 C                 -4.69483400   -0.23666300    0.87940400
 C                  2.92619400    3.24077300   -2.71953100
 H                  2.03669700    3.85530700   -2.76895900
 C                  4.28487800   -1.82542600    5.10611500
 H                  5.14597000   -1.85098700    5.76781800
 C                 -5.85612200    3.50090600   -2.15554300
 H                 -6.55257200    4.32773000   -2.05150000
 C                  4.02673000    1.13325100   -2.31222500
 H                  3.98744900    0.08203300   -2.05864700
 C                 -0.46870300   -1.20182800   -5.05242200
 H                 -1.44629100   -1.63104500   -5.24853100
 C                 -4.36022400    3.26553500    3.79830000
 H                 -4.92267000    3.12556600    4.71681200
 C                 -2.95654500    4.63878200    2.38455400
 H                 -2.42316900    5.56731100    2.20317100
 C                  3.13106600    3.28270500    0.74607100
 H                  3.83162700    2.70580600    0.15336500
 C                 -5.24002000    2.97210100   -1.02116800
 H                 -5.45809900    3.39671000   -0.04666400
 C                  6.19262400   -3.13700600    0.35812000
 H                  5.43105000   -3.88844200    0.53913000
 C                 -4.33989300    2.24935300    2.84045300
 H                 -4.88113400    1.32825900    3.02782100
 C                 -1.94172000    0.41914800    4.69388400
 H                 -2.13779600    1.46888800    4.88938500
 C                  6.82103700   -0.88061600   -0.22823400
 H                  6.54639000    0.13405100   -0.50066900
 C                  1.38222000    4.79756200    2.31193800
 H                  0.71822700    5.38478700    2.93751700
 C                 -0.62702900    2.70726700   -3.45979800
 H                 -0.55847200    1.98426000   -4.26349900
 C                  8.53083900   -2.51562900    0.27268400
 H                  9.57882400   -2.77973900    0.38202800
 C                  0.57113200   -1.35632500   -5.97033900
 H                  0.40933000   -1.90383500   -6.89463500
 C                 -1.39757600   -2.27116000    4.19359600
 H                 -1.17370700   -3.31931700    4.03160600
 C                 -1.44946300    4.84268400   -2.66005400
 H                 -2.01462900    5.75592500   -2.82405400
 C                 -2.57251500   -0.56751100    5.45364500
 H                 -3.26105800   -0.29089100    6.24736600
 C                  0.79167300   -5.91267100    2.10745500
 H                  1.49112300   -6.68328900    2.41891700
 C                  4.15696900    3.81748000   -3.04310100
 H                  4.19429600    4.86371400   -3.33395900
 C                  3.07890900   -1.27807900    5.54298300
 H                  2.99347900   -0.87581200    6.54853900
 C                  7.53745200   -3.46902800    0.51112200
 H                  7.81012800   -4.47635200    0.81331400
 C                 -6.94108600   -0.99462800    1.41697500
 H                 -8.01752000   -0.88890100    1.31668800
 C                 -1.37579700    3.87169300   -3.65774900
 H                 -1.88635000    4.02196900   -4.60485000
 C                  8.16790300   -1.22059300   -0.09936300
 H                  8.93220400   -0.47039100   -0.28210600
 C                 -0.41818700   -6.26223700    1.51099700
 H                 -0.66734000   -7.30644400    1.34527100
 C                  3.22459300    4.67377800    0.74040300
 H                  3.98217700    5.16559400    0.14032600
 C                 -2.29906700   -1.91332500    5.19869200
 H                 -2.76901700   -2.68916400    5.79723700
 C                 -1.31035500   -5.25541200    1.13682300
 H                 -2.26079100   -5.51005500    0.67487600
 C                  1.81727700   -0.79888700   -5.69029700
 H                  2.63717600   -0.90463500   -6.39513300
 C                  2.34143700    5.42393300    1.51674000
 Pd                -3.75298800   -1.89152700   -0.67688000
 P                 -5.72344000   -3.40928300   -1.02027000
 H                 -6.69132900   -3.85445100   -0.07127200
 H                 -6.62415600   -3.03810300   -2.05142900
 H                 -5.36545100   -4.68072900   -1.53545800
 Br                 2.45756000    7.33914500    1.50673400
          149
 3-8C''' Charge = 1  Multiplicity = 1  E = -12317.710902 a.u.  G = -12316.683147 a.u.
 Os                -0.23525400    0.02131600   -0.26129300
 Br                 2.15839100   -3.25489400    2.48475300
 P                  4.28996000   -1.36882400    0.44938400
 P                 -0.46098500   -1.74723400   -2.02971000
 P                 -0.03714000    1.62418200    1.73588200
 C                 -2.16985700   -0.53330000    0.52128400
 C                  1.55323300   -1.85887800    1.26845300
 C                  1.07136300   -2.30534300   -2.94425000
 C                  0.23194400   -1.53555200    1.12963700
 C                 -1.01589400    3.22098800    1.72284600
 C                  1.65450200    2.30595500    2.13972800
 C                  2.03758000   -1.36236800   -3.32178500
 H                  1.95887000   -0.34250100   -2.96620400
 C                  2.47846200   -1.08148600    0.46440500
 C                  5.10222100   -0.42451600   -0.90212000
 C                 -1.36791300    1.29534800   -1.37043000
 C                 -2.88601900   -0.97883200   -3.28807500
 H                 -3.28948300   -0.97888000   -2.28278400
 C                 -2.10480700   -1.57392700    1.50407200
 H                 -3.00180600   -1.91897900    2.00713500
 C                 -3.70048200    1.08617000   -0.67079200
 C                  2.46172200    2.77967000    1.09601800
 H                  2.15625300    2.63331200    0.06769400
 C                  0.62046900    2.82505100   -1.98911600
 C                 -1.53279600   -1.29041500   -3.49659000
 C                  3.96863600   -3.82413800   -0.83790600
 H                  3.21216100   -3.31639000   -1.42729800
 C                 -2.66273900    1.69135900   -1.45196000
 H                 -2.94547200    2.48104200   -2.14568000
 C                  4.24416800   -5.16916000   -1.08354200
 H                  3.70175500   -5.68906700   -1.86734100
 C                 -3.43995200   -0.01397300    0.15999400
 C                  5.14521000   -0.80018400    1.97001600
 C                 -0.87213800   -2.09482700    1.81683600
 H                 -0.75908100   -2.87648000    2.56542500
 C                  1.86169500   -0.12268700   -0.32033800
 H                  2.50306800    0.50657100   -0.93599000
 C                  1.86753500    2.89542300   -2.63965900
 H                  2.28265300    2.00165000   -3.09922000
 C                  5.18223900    0.97390300   -0.79767800
 H                  4.74022200    1.48676300    0.04977300
 C                 -0.55163700    0.86806800    3.37050000
 C                 -1.03803700   -1.26856600   -4.81026600
 H                 -0.00146100   -1.50365900   -5.01604500
 C                 -5.08187200    1.63125900   -0.83836500
 C                 -1.75302900    1.20116500    4.00970700
 H                 -2.42618000    1.93256500    3.58248500
 C                 -0.11116400    1.53661400   -1.96092700
 H                  0.08276600    0.95547600   -2.86430200
 C                  0.29109700   -0.07232700    3.98652700
 H                  1.22603500   -0.35117000    3.51696400
 C                 -2.40957300   -3.86816800   -1.90006500
 H                 -3.00843100   -3.30151800   -2.60162400
 C                  5.20508500   -5.84038400   -0.32386900
 H                  5.41350700   -6.88922900   -0.51413900
 C                 -3.16628200    4.34732100    1.52297800
 H                 -4.23794500    4.28576800    1.35638200
 C                  6.46164600    1.05513300   -2.85018000
 H                  6.99487900    1.62857500   -3.60298700
 C                  4.43404600   -0.46056500    3.12581100
 H                  3.35330300   -0.51477200    3.13849700
 C                 -3.72628400   -0.68178000   -4.36188900
 H                 -4.77375100   -0.45968000   -4.17631800
 C                  3.63314200    3.49110800    1.36879300
 H                  4.22284400    3.88534100    0.54534700
 C                 -2.55513600    5.58209600    1.74484400
 H                 -3.14721700    6.49286300    1.75293800
 C                 -1.16757600   -3.38397500   -1.46686000
 C                  6.51387100    0.04291900    4.25643200
 H                  7.04509300    0.36827700    5.14619100
 C                  5.63005700   -3.81614100    0.93416300
 H                  6.16160000   -3.30584800    1.72969000
 C                  5.12123800   -0.03893500    4.26560700
 H                  4.56309200    0.22769200    5.15774400
 C                 -0.40204100   -4.18136800   -0.59900400
 H                  0.57108400   -3.84387200   -0.26322800
 C                  4.66491600   -3.14375700    0.17267400
 C                 -0.41259100    4.46739100    1.95446600
 H                  0.65305200    4.54458200    2.12600400
 C                 -3.22292500   -0.66225300   -5.66401200
 H                 -3.87499400   -0.42559100   -6.49995100
 C                  7.22671900   -0.28378100    3.09925500
 H                  8.31008300   -0.21018200    3.08461000
 C                 -2.40214000    3.17899400    1.51057000
 H                 -2.89205500    2.22871700    1.34885400
 C                 -0.05493300   -0.66034100    5.20215500
 H                  0.61820100   -1.38072700    5.65915500
 C                  6.39884700   -0.33566200   -2.94543100
 H                  6.88583300   -0.84939600   -3.76928700
 C                  5.85160300    1.70828100   -1.77549500
 H                  5.90912700    2.78948600   -1.68936600
 C                  0.09724600    4.01606000   -1.45508600
 H                 -0.87521800    4.00638000   -0.97571400
 C                  6.54776500   -0.69802000    1.95492200
 H                  7.10752600   -0.93205600    1.05419900
 C                 -5.55992000    1.98363000   -2.11644900
 H                 -4.93770200    1.80814700   -2.98886500
 C                  5.71875800   -1.07861400   -1.97724600
 H                  5.68130700   -2.15849700   -2.06055800
 C                  3.08477900   -1.71378700   -4.17694500
 H                  3.81468000   -0.96390300   -4.46560700
 C                 -5.91247400    1.87073700    0.27619800
 H                 -5.56018300    1.62732500    1.27253100
 C                  2.58143500    4.08973400   -2.73105300
 H                  3.53654500    4.12200200   -3.24453500
 C                  2.05140300    2.55541400    3.46349400
 H                  1.43005900    2.23304700    4.29057500
 C                 -7.64515400    2.76132800   -1.16478400
 H                 -8.63168600    3.19833400   -1.29068400
 C                 -1.26124400   -0.32925300    5.82317300
 H                 -1.53659000   -0.79044100    6.76728900
 C                  1.18206700   -3.61563800   -3.43867900
 H                  0.43741700   -4.36033600   -3.18289500
 C                  4.02892100    3.71983500    2.68789800
 H                  4.93823500    4.27574800    2.89829300
 C                  3.18955000   -3.02007000   -4.65793200
 H                  4.00041300   -3.29403600   -5.32710200
 C                 -2.88458800   -5.10579400   -1.45521200
 H                 -3.84750600   -5.46479900   -1.80840500
 C                 -1.17812600    5.63570500    1.96321000
 H                 -0.69041700    6.58929400    2.14636300
 C                 -1.87618600   -0.94920400   -5.88164700
 H                 -1.47040500   -0.93634300   -6.88926800
 C                 -6.83131400    2.53237000   -2.27742600
 H                 -7.18460000    2.78687500   -3.27288900
 C                  5.89563900   -5.16282700    0.68302200
 H                  6.64001000   -5.68172800    1.27965600
 C                  3.23553900    3.24572800    3.73327700
 H                  3.52246000    3.43154400    4.76466600
 C                 -7.17857300    2.43408900    0.11034000
 H                 -7.79782500    2.61841100    0.98367200
 C                 -2.12352800   -5.88260500   -0.58264700
 H                 -2.49313100   -6.84554800   -0.24183000
 C                  0.79854500    5.21819900   -1.53630600
 H                  0.37563900    6.12390700   -1.11577000
 C                  2.23742000   -3.96998400   -4.28260600
 H                  2.30086800   -4.98641100   -4.66168700
 C                 -0.87491300   -5.41884000   -0.16300600
 H                 -0.26422800   -6.01753300    0.50712000
 C                 -2.10588900    0.60224900    5.22250300
 H                 -3.04648600    0.87302400    5.69272900
 C                  2.04171400    5.24585800   -2.16809900
 Pd                -5.11497000   -1.09797500    0.26652700
 Br                -5.39134000   -0.91955800    2.73978700
 P                 -7.11933200   -2.51315400    0.08591500
 H                 -8.33464500   -1.97314100    0.58283100
 H                 -7.64995400   -3.07015600   -1.11447900
 H                 -7.12065100   -3.70733700    0.85332600
 Br                 3.01418000    6.89622900   -2.28027000
  149
 3-13C''' Charge = 1  Multiplicity = 1  E = -12317.699447 a.u.  G = -12316.671483 a.u.
 Os                -0.79933073    0.91031606   -0.05895021
 P                  0.20116801    0.49160117    2.24487202
 P                 -2.02777363    1.34013451   -2.22985443
 Br                -1.82245177    5.50126043    1.77348075
 Br                -4.73548039   -1.67460332    1.28323924
 Br                 6.50903061   -3.22629389    0.46203093
 P                 -2.20185758   -3.66311087   -0.07476682
 C                 -3.02596974   -0.98481265    0.65383660
 C                 -2.02028515   -1.84474175    0.05806523
 C                  1.64866844    1.53740915    2.81728436
 C                 -0.88058574   -1.17180554   -0.34775655
 H                 -0.07098315   -1.77137373   -0.76322587
 C                 -2.03007296   -0.25815857    3.81937383
 H                 -2.05814972   -1.13566818    3.18505558
 C                 -3.44533587   -4.16881157   -1.32416525
 C                  2.84641272    0.95191518    3.26031292
 H                  2.98111086   -0.12148828    3.23788629
 C                 -1.03790195    0.71914603    3.63322703
 C                  0.25524604    4.41360958    0.12263766
 C                  0.78793363    5.80366422    0.04373646
 C                 -3.44036466    1.37835394    1.34405745
 H                 -4.41529776    1.21289712    1.79877891
 C                 -2.85275045    2.62028210    1.34157206
 H                 -3.36398075    3.46513973    1.78995236
 C                  0.03566227    6.85603372   -0.50712630
 H                 -0.98694998    6.67954686   -0.82442544
 C                 -1.56322721    2.76724767    0.73419427
 C                 -0.95269984    4.05513803    0.73426067
 C                  1.05799054    3.43397373   -0.54350138
 H                  1.94679693    3.79377720   -1.05763652
 C                 -2.68974101    0.33583244    0.75449596
 C                  0.69906179    2.13257358   -0.66138783
 C                 -4.77152047    1.22199120   -1.55945210
 H                 -4.54047949    0.22275432   -1.21180870
 C                 -0.94708075    3.85446508   -2.96045215
 H                 -1.27150553    4.16472017   -1.97492596
 C                 -4.10170020    3.31643688   -2.54821260
 H                 -3.35990801    3.96128412   -3.00175296
 C                 -3.75828115    2.03494648   -2.09583709
 C                 -1.16827665    2.53405451   -3.38517841
 C                  1.53633605    2.93603476    2.85770935
 H                  0.62995615    3.41971133    2.51933819
 C                 -2.29380514   -0.09141288   -3.40081811
 C                  3.89407512    1.74457521    3.73484552
 H                  4.81036267    1.26700683    4.07128896
 C                 -1.34543307   -1.96973471   -4.62161019
 H                 -0.52130189   -2.65940627   -4.78449264
 C                  3.76387520    3.13248708    3.78734612
 H                  4.57565376    3.74581997    4.16838194
 C                 -1.26307032   -1.02129184   -3.59906066
 H                 -0.38186354   -0.98523731   -2.96933639
 C                  1.64620173   -1.87308203    1.65700589
 H                  1.74495279   -1.45850278    0.66205821
 C                  0.16420722   -5.20257524    0.21551303
 H                 -0.10029491   -5.32204937    1.25912584
 C                 -0.63734405   -4.44043379   -0.64420828
 C                  0.88082989   -1.20604232    2.62333546
 C                 -2.62899347   -4.39918855    1.55093049
 C                  1.11787925    0.94920694   -1.29849299
 H                  0.78750663    0.85122276   -2.33328533
 C                  2.41237968    0.25990305   -1.08994109
 C                  3.39098762    0.72841283   -0.19343385
 H                  3.18975159    1.60088039    0.41358669
 C                  0.87191486   -4.92807387   -2.47652985
 H                  1.13769024   -4.83286253   -3.52553936
 C                  1.49696589   -2.92026387    4.23680587
 H                  1.44693164   -3.31325039    5.24893435
 C                 -3.41686427   -0.14426464   -4.24120612
 H                 -4.21668545    0.57824536   -4.12901124
 C                 -6.41102344    2.96864168   -1.89906498
 H                 -7.43220461    3.33068914   -1.82025810
 C                 -2.14316461   -4.58394287    3.91583232
 H                 -1.53957047   -4.29895536    4.77211304
 C                  0.82050504   -1.73921117    3.92329155
 H                  0.26459292   -1.22723085    4.69997319
 C                 -2.98663940   -0.12612058    4.82541962
 H                 -3.73849608   -0.90061627    4.95023337
 C                  2.11593172    6.05813772    0.42621598
 H                  2.71466759    5.25318994    0.84184406
 C                 -1.85615055   -4.03714751    2.66496367
 H                 -1.03702633   -3.33174443    2.56670284
 C                 -0.32472591    4.78076836   -3.79768852
 H                 -0.16614958    5.79594013   -3.44549318
 C                 -6.08445080    1.68221734   -1.46522992
 H                 -6.84920199    1.03325621   -1.04697977
 C                 -1.02676802    1.82708689    4.49053601
 H                 -0.26358544    2.58893035    4.40228262
 C                  2.26110354   -3.57401357    3.26695881
 H                  2.80749384   -4.47869291    3.51950421
 C                  4.62817937    0.09420604   -0.08046849
 H                  5.35673778    0.46091309    0.63693372
 C                 -4.47513763   -5.93939739   -2.61947802
 H                 -4.54923503   -6.99086824   -2.88067168
 C                 -3.69036100   -5.30170785    1.69853853
 H                 -4.30690938   -5.57447702    0.84965736
 C                  0.59229224    8.12498177   -0.65590925
 H                 -0.00221750    8.92352495   -1.09064689
 C                 -5.30570604   -4.99940827   -3.23663997
 H                 -6.03178263   -5.32220801   -3.97721168
 C                  2.57873224    3.72522262    3.34950738
 H                  2.45624106    4.80382096    3.38871864
 C                 -4.26706320   -3.22797582   -1.95477723
 H                 -4.18111319   -2.17578961   -1.71354893
 C                 -3.54087377   -5.52830916   -1.67072016
 H                 -2.88433136   -6.26146143   -1.21096701
 C                  1.90415609    8.37251062   -0.24328571
 H                  2.33143117    9.36550617   -0.34972273
 C                  4.93173781   -0.98775626   -0.91898363
 C                 -0.28369771   -4.31396276   -1.99766122
 H                 -0.91868791   -3.75556444   -2.67674529
 C                  2.71748859   -0.87440846   -1.86833483
 H                  1.98608793   -1.25076734   -2.57697746
 C                  3.95122549   -1.51734830   -1.76830590
 H                  4.15115976   -2.40305277   -2.36291587
 C                 -3.50879243   -1.10979445   -5.24657231
 H                 -4.38507899   -1.13132961   -5.88846858
 C                 -2.47173381   -2.02170981   -5.44487193
 H                 -2.53509165   -2.75959095   -6.23951132
 C                  2.33890897   -3.04417919    1.97803570
 H                  2.95556798   -3.52196783    1.22326682
 C                 -5.41631197    3.78019557   -2.44219470
 H                 -5.65786191    4.77809292   -2.79709663
 C                 -3.97237652   -5.83971696    2.95487186
 H                 -4.79876212   -6.53533077    3.06558683
 C                 -0.73954582    2.16324485   -4.66944563
 H                 -0.90033326    1.15833700   -5.03952105
 C                  1.31608963   -5.82162158   -0.27514351
 H                  1.93216107   -6.41354295    0.39497749
 C                 -3.20089603   -5.48388759    4.06294366
 H                 -3.42545114   -5.90417503    5.03901734
 C                 -1.99270361    1.96423539    5.49197940
 H                 -1.96237920    2.83311049    6.14341300
 C                 -5.19464573   -3.64746996   -2.91052978
 H                 -5.82625194   -2.91262916   -3.39984416
 C                  2.66303763    7.33549937    0.30067988
 H                  3.68486422    7.51732647    0.62203262
 C                  1.67423225   -5.68265133   -1.61589997
 H                  2.56997126   -6.16809430   -1.99193318
 C                 -2.97743181    0.99253826    5.66158976
 H                 -3.72448128    1.09850527    6.44329986
 C                  0.10380337    4.39918672   -5.07015184
 H                  0.59250073    5.11866760   -5.72111728
 C                 -0.10375655    3.08918332   -5.50046539
 H                  0.21946157    2.78147503   -6.49108271
 Pd                 6.81051897   -1.47268620   -1.20360153
 P                  9.18799202   -1.89837017   -1.73905415
 H                  9.74145961   -3.00893885   -1.02557010
 H                  9.62976506   -2.25946554   -3.04566839
 H                 10.20810785   -0.94991810   -1.46100177
          179
 3-13D'''' Charge = 1  Multiplicity = 1  E = --13011.162124 a.u.  G = -13009.906540 a.u.
Os                 1.68617200    0.89092300    0.05021200
 P                  1.78516300    0.62041400   -2.48384700
 P                  1.85917300    1.21566400    2.54645300
 Br                 2.93102600    5.67292400   -0.95633400
 Br                 6.04035400   -1.33202500    0.30879800
 Br                -4.04521200   -3.00462700   -3.23205400
 P                  3.36160000   -3.56846900    0.43169400
 C                  4.16885400   -0.79621300    0.23057200
 C                  3.08866600   -1.76107800    0.31679800
 C                  0.60058900    1.60213400   -3.55703900
 C                  1.82665800   -1.19457200    0.24668300
 H                  0.97477800   -1.87423300    0.26771500
 C                  4.53370300    0.19517900   -3.02445900
 H                  4.39394600   -0.73991300   -2.49568900
 C                  4.04727900   -4.09164000    2.05087400
 C                 -0.21656000    0.97589500   -4.51255700
 H                 -0.21587100   -0.10048100   -4.62234800
 C                  3.45473800    1.07737800   -3.20408500
 C                  0.47049700    4.31553500   -0.37081200
 C                 -0.17542600    5.65717200   -0.43636200
 C                  4.61209300    1.64272300   -0.08850600
 H                  5.69871700    1.58072800   -0.09807000
 C                  3.96225100    2.84130800   -0.26371800
 H                  4.53209500    3.75295300   -0.40708200
 C                  0.19712400    6.70115500    0.42909900
 H                  1.02049300    6.55913200    1.12144200
 C                  2.52942000    2.85282000   -0.24922200
 C                  1.85156700    4.09245900   -0.43950200
 C                 -0.44185800    3.22933500   -0.16858100
 H                 -1.49354000    3.48612500   -0.06181100
 C                  3.78674600    0.50641200    0.07393100
 C                 -0.04728700    1.94533300    0.00615800
 C                  4.63597400    1.29756700    3.07894200
 H                  4.64879900    0.31007300    2.63478100
 C                  0.36458100    3.59898500    2.88821600
 H                  1.02138600    3.99833700    2.12572900
 C                  3.45418100    3.28092800    3.77191100
 H                  2.54221300    3.84986400    3.89909200
 C                  3.43002200    2.01276000    3.17566100
 C                  0.51016700    2.26605600    3.30695000
 C                  0.54955100    3.00065700   -3.45191500
 H                  1.16163600    3.51376900   -2.72297000
 C                  1.73845700   -0.28864000    3.64953300
 C                 -1.05256900    1.72973800   -5.33923900
 H                 -1.67395200    1.22154800   -6.07155500
 C                  0.51229600   -2.29161300    4.28565100
 H                 -0.25986500   -3.02428500    4.06576300
 C                 -1.08272700    3.12054600   -5.23653100
 H                 -1.72560400    3.70502900   -5.88862900
 C                  0.78314800   -1.27548600    3.36592600
 H                  0.22705900   -1.23182900    2.43682100
 C                  0.55506500   -1.93371400   -2.69745700
 H                  0.02746400   -1.66414800   -1.79185500
 C                  1.46085300   -5.25168000   -0.83439100
 H                  2.13313800   -5.28488200   -1.68342000
 C                  1.77477500   -4.48671800    0.29630100
 C                  1.52911800   -1.07656400   -3.22630400
 C                  4.45963700   -4.15210500   -0.91813300
 C                 -0.56839500    0.68238800    0.34580100
 H                 -0.71674900    0.52553400    1.41555000
 C                 -1.51501200   -0.12412900   -0.45729000
 C                 -2.08755000    0.34768100   -1.66052600
 H                 -1.83052800    1.33701600   -2.02216500
 C                 -0.28473800   -5.20720100    1.35123700
 H                 -0.95521400   -5.19974300    2.20606600
 C                  1.83024700   -2.62731500   -5.07916700
 H                  2.32022100   -2.88050500   -6.01565200
 C                  2.43010500   -0.35552400    4.86937100
 H                  3.15596000    0.40629600    5.12862100
 C                  5.84661000    3.11343600    4.12282000
 H                  6.77748800    3.53993300    4.48546100
 C                  4.97330700   -4.18174500   -3.28391800
 H                  4.73931700   -3.86627500   -4.29597900
 C                  2.15955700   -1.43490300   -4.43169000
 H                  2.89437700   -0.77731300   -4.88099300
 C                  5.79760600    0.49746700   -3.53020300
 H                  6.61320600   -0.20496300   -3.38200800
 C                 -1.26005800    5.86318200   -1.30603800
 H                 -1.57044200    5.06300700   -1.97129300
 C                  4.16804700   -3.74856500   -2.23042700
 H                  3.32364300   -3.09846700   -2.43586600
 C                 -0.60992500    4.42396700    3.45020300
 H                 -0.70245000    5.45055400    3.10775400
 C                  5.83080100    1.83982200    3.55059200
 H                  6.74889200    1.26485400    3.46547300
 C                  3.67749900    2.26703800   -3.90950400
 H                  2.86914500    2.96272600   -4.09227100
 C                  0.85675700   -3.47432200   -4.54332900
 H                  0.58815800   -4.39299400   -5.05768600
 C                 -2.97715600   -0.42573900   -2.39767100
 H                 -3.36489700   -0.06308400   -3.34338100
 C                  4.62926600   -5.88998200    3.56781400
 H                  4.68511600   -6.95183800    3.78835800
 C                  5.56186300   -4.98010600   -0.66779800
 H                  5.80906900   -5.28010600    0.34417200
 C                 -0.48625500    7.91553100    0.41307600
 H                 -0.18912200    8.70726800    1.09512200
 C                  5.06266100   -4.95115600    4.50851100
 H                  5.46129400   -5.28462100    5.46228300
 C                 -0.27514700    3.75365400   -4.29107400
 H                 -0.27942400    4.83607200   -4.20057100
 C                  4.46723700   -3.15363600    3.00058000
 H                  4.39409400   -2.09322500    2.79327400
 C                  4.11512500   -5.46530900    2.34419200
 H                  3.76100900   -6.20002500    1.62676400
 C                 -1.54366700    8.11772300   -0.47788500
 H                 -2.06785400    9.06899100   -0.49585600
 C                 -3.33892100   -1.72170700   -1.94169200
 C                  0.90021100   -4.47459100    1.39512400
 H                  1.15267200   -3.91087700    2.28648200
 C                 -1.93082300   -1.37708500    0.01813400
 H                 -1.54574600   -1.75020300    0.96392200
 C                 -2.83225700   -2.18603500   -0.69893500
 H                 -3.01605000   -3.20609400   -0.37972800
 C                  2.17791300   -1.38844900    5.77545900
 H                  2.72274400   -1.41998800    6.71499900
 C                  1.21328700   -2.35560800    5.49145700
 H                  1.00147600   -3.14547100    6.20642000
 C                  0.21850100   -3.12163600   -3.35374700
 H                 -0.55501200   -3.75831400   -2.93585200
 C                  4.65493500    3.82799100    4.23379700
 H                  4.64874200    4.81393900    4.68987000
 C                  6.36383700   -5.40437600   -1.72796000
 H                  7.22039600   -6.04170800   -1.52928400
 C                 -0.35669500    1.77727300    4.29653600
 H                 -0.27491100    0.75777400    4.65140100
 C                  0.27514500   -5.98959700   -0.86689000
 H                  0.04185800   -6.58846100   -1.74226800
 C                  6.07116100   -5.00830200   -3.03470600
 H                  6.69916300   -5.34069600   -3.85620600
 C                  4.94744900    2.57389800   -4.40707500
 H                  5.09432300    3.50294400   -4.95061300
 C                  4.97290700   -3.58758400    4.22761800
 H                  5.29350600   -2.85528700    4.96212500
 C                 -1.92655300    7.08840500   -1.33878900
 H                 -2.75029000    7.23407900   -2.03194900
 C                 -0.59900600   -5.96667900    0.22032600
 H                 -1.51625200   -6.54787300    0.19295700
 C                  6.01174500    1.69400200   -4.21794300
 H                  6.99668800    1.93252500   -4.60932500
 C                 -1.46779200    3.92711300    4.43297300
 H                 -2.22816000    4.56822800    4.86989800
 C                 -1.33854900    2.60281400    4.85097400
 H                 -1.99377100    2.20519700    5.62116200
 Pd                -5.02294600   -1.20741000   -0.71720900
 P                 -6.91933300   -0.64016100    0.51054500
 C                 -7.89692000    0.78066600   -0.18454300
 C                 -7.99833600    0.88065500   -1.58120600
 C                 -8.53213900    1.74084600    0.61543100
 C                 -8.73424800    1.91144600   -2.16577100
 H                 -7.49480400    0.14910000   -2.20912600
 C                 -9.26026000    2.77843100    0.02707800
 H                 -8.45804000    1.68468000    1.69712800
 C                 -9.36533900    2.86430800   -1.36203800
 H                 -8.80805600    1.97468500   -3.24814100
 H                 -9.74611500    3.51840400    0.65756400
 H                 -9.93285000    3.67161800   -1.81690200
 C                 -6.59968100   -0.11993000    2.26773000
 C                 -7.42777300   -0.47757800    3.34052100
 C                 -5.46471400    0.66820300    2.51639200
 C                 -7.12799700   -0.04907600    4.63680300
 H                 -8.30542500   -1.09315300    3.17004600
 C                 -5.17432000    1.10534900    3.80861200
 H                 -4.80563700    0.93044800    1.69221200
 C                 -6.00512200    0.74511700    4.87317800
 H                 -7.77651200   -0.33622300    5.46028200
 H                 -4.29397800    1.71899200    3.98269600
 H                 -5.77710100    1.07856700    5.88220100
 C                 -8.18408700   -1.99257600    0.66953200
 C                 -7.72631300   -3.31843900    0.71654400
 C                 -9.56285000   -1.74490400    0.74069000
 C                 -8.62795700   -4.37508700    0.84846200
 H                 -6.66007000   -3.51662900    0.63723800
 C                -10.46413200   -2.80483600    0.86496500
 H                 -9.93690800   -0.72685100    0.69081200
 C                 -9.99929600   -4.12005000    0.92174900
 H                 -8.26071600   -5.39741700    0.88149600
 H                -11.53035100   -2.60070900    0.91399600
 H                -10.70279800   -4.94292000    1.01474300
          179
 3-13Ts'''' Charge = 1  Multiplicity = 1  E = -13011.151620 a.u.  G = -13009.896126 a.u.
 Os                 2.01693000    0.82654900    0.06064000
 P                  1.61589300    0.52110400   -2.44580300
 P                  2.68696800    1.16171800    2.46555100
 Br                 3.60763800    5.41388200   -1.30463900
 Br                 6.05835400   -1.89974000   -0.38346300
 Br                -4.62527600   -2.62193800   -2.05035400
 P                  3.20372500   -3.79802800    0.26746300
 C                  4.27816800   -1.14341300   -0.15234000
 C                  3.12667500   -1.97147500    0.15379800
 C                  0.38642800    1.63734500   -3.31851100
 C                  1.94715100   -1.25947700    0.29354800
 H                  1.04106400   -1.83376800    0.48554500
 C                  4.14106500   -0.26566600   -3.44973400
 H                  3.97858100   -1.16627000   -2.87000900
 C                  4.10767800   -4.39099100    1.74963900
 C                 -0.67781800    1.11307300   -4.07083800
 H                 -0.84250100    0.04528000   -4.12944900
 C                  3.17082500    0.75056500   -3.46693800
 C                  1.14798300    4.36606200   -0.25898300
 C                  0.65789100    5.77376700   -0.26097200
 C                  4.93517900    1.21957700   -0.62963000
 H                  5.98591100    1.02594800   -0.83705800
 C                  4.40827500    2.48561100   -0.72368100
 H                  5.04417400    3.32028300   -0.99815700
 C                  1.29101000    6.77966600    0.49063400
 H                  2.20114200    6.55268300    1.03591500
 C                  3.01367100    2.66994500   -0.44983200
 C                  2.46056100    3.97902200   -0.55847100
 C                  0.16867300    3.39980400    0.14070700
 H                 -0.81062700    3.78165100    0.42100100
 C                  4.02716300    0.19357300   -0.28241000
 C                  0.43948100    2.08128000    0.29299300
 C                  5.50426600    0.91538100    2.49293000
 H                  5.32100800   -0.08146500    2.11161100
 C                  1.55671500    3.70875600    2.99293900
 H                  2.11240900    4.02484300    2.11907200
 C                  4.70744400    3.05412200    3.26950500
 H                  3.90605900    3.73571800    3.52372200
 C                  4.42789800    1.77782900    2.76264500
 C                  1.62361700    2.37162400    3.41766100
 C                  0.54282900    3.03098000   -3.26799000
 H                  1.34646100    3.46665200   -2.69036600
 C                  2.60671900   -0.30120500    3.62774800
 C                 -1.55086400    1.96086900   -4.75615300
 H                 -2.36538700    1.53071800   -5.33250400
 C                  1.32696500   -2.15810300    4.53961300
 H                  0.46344100   -2.81575100    4.48326900
 C                 -1.37404300    3.34393800   -4.71354900
 H                 -2.04747800    3.99999900   -5.25783200
 C                  1.52694000   -1.19261800    3.54965100
 H                  0.82376500   -1.11481200    2.72855900
 C                  0.06656700   -1.85813300   -2.34623700
 H                 -0.24199500   -1.51594500   -1.36743000
 C                  0.91241800   -5.23734800   -0.58848100
 H                  1.40586500   -5.35315600   -1.54605900
 C                  1.52209700   -4.51864000    0.44786900
 C                  1.02097400   -1.13603500   -3.07422200
 C                  3.95543600   -4.51513800   -1.24566300
 C                 -0.15031300    0.89614500    0.77164000
 H                 -0.10859000    0.77782000    1.85547300
 C                 -1.32369200    0.20093300    0.19730400
 C                 -2.03711600    0.69545900   -0.91164500
 H                 -1.71437500    1.61593000   -1.38612000
 C                 -0.37744500   -4.97947400    1.88060300
 H                 -0.87132400   -4.88975300    2.84411200
 C                  0.77371400   -2.72594100   -4.90054400
 H                  1.04267500   -3.04687600   -5.90347900
 C                  3.48959400   -0.41002800    4.71379700
 H                  4.31617400    0.28336200    4.81546700
 C                  7.08777300    2.60399200    3.19577100
 H                  8.11249300    2.92455900    3.36053200
 C                  4.01192600   -4.61317500   -3.66421800
 H                  3.63330300   -4.27338700   -4.62323300
 C                  1.36370000   -1.57982300   -4.36436200
 H                  2.07491200   -1.02260500   -4.96275600
 C                  5.32056800   -0.14261400   -4.18314800
 H                  6.05136600   -0.94621300   -4.15663700
 C                 -0.53150100    6.09271600   -0.93831900
 H                 -1.04072800    5.32481200   -1.51293500
 C                  3.47523600   -4.08166400   -2.49142700
 H                  2.69152200   -3.33322000   -2.55413400
 C                  0.78775400    4.64286500    3.68759600
 H                  0.75245100    5.67068500    3.33804300
 C                  6.81996400    1.32206400    2.71107500
 H                  7.63410200    0.63498500    2.49708300
 C                  3.41368100    1.89004700   -4.24481900
 H                  2.68262700    2.68540700   -4.30731700
 C                 -0.17913400   -3.43729500   -4.16636300
 H                 -0.65269100   -4.31713600   -4.59336500
 C                 -3.14806900    0.02544200   -1.42004100
 H                 -3.65784700    0.39968500   -2.30158900
 C                  4.75487100   -6.24047600    3.17601400
 H                  4.73838200   -7.30236100    3.40279200
 C                  4.97760400   -5.47131800   -1.18269300
 H                  5.37319700   -5.79572300   -0.22694700
 C                  0.75701400    8.06546200    0.54964100
 H                  1.25619100    8.82689500    1.14240900
 C                  5.43911100   -5.35213700    4.01082300
 H                  5.96057400   -5.72550800    4.88744600
 C                 -0.32103800    3.87601300   -3.96857200
 H                 -0.16391600    4.95000900   -3.92717500
 C                  4.77884300   -3.50192800    2.59644000
 H                  4.77756700   -2.43928400    2.38725100
 C                  4.08281200   -5.76413800    2.05209000
 H                  3.53506300   -6.45769100    1.42054900
 C                 -0.40999200    8.37705700   -0.15302400
 H                 -0.81829100    9.38295000   -0.11434700
 C                 -3.60828400   -1.14242600   -0.77631400
 C                  0.87581600   -4.40074100    1.68923200
 H                  1.35744800   -3.87465100    2.50601700
 C                 -1.79107600   -0.98155200    0.80773700
 H                 -1.27485800   -1.36916700    1.68333800
 C                 -2.90163000   -1.66978100    0.32359500
 H                 -3.22210300   -2.59798800    0.78489800
 C                  3.30315200   -1.39321200    5.68827900
 H                  3.99689800   -1.45815600    6.52198600
 C                  2.21797300   -2.26652000    5.60898600
 H                  2.06084800   -3.01719800    6.37824500
 C                 -0.53367000   -2.99769400   -2.89048100
 H                 -1.29148000   -3.52336100   -2.31830900
 C                  6.02774300    3.46460100    3.47618100
 H                  6.21979100    4.45966700    3.86745000
 C                  5.50967000   -5.99486400   -2.36167200
 H                  6.30501500   -6.73239800   -2.30845000
 C                  0.88673400    1.99213400    4.55057200
 H                  0.91443800    0.97252500    4.91352400
 C                 -0.34023400   -5.82144700   -0.38529400
 H                 -0.80474200   -6.38433100   -1.18943400
 C                  5.02835800   -5.56898900   -3.60144900
 H                  5.44689100   -5.97859000   -4.51620200
 C                  4.60113900    2.01681500   -4.97198500
 H                  4.76569900    2.91001700   -5.56803000
 C                  5.44246800   -3.98652000    3.72543300
 H                  5.95800600   -3.29155300    4.38096500
 C                 -1.05081500    7.38702500   -0.89900100
 H                 -1.96065800    7.61813900   -1.44589600
 C                 -0.98785600   -5.69062500    0.84342900
 H                 -1.95955700   -6.15091200    0.99723100
 C                  5.55926200    1.00498900   -4.94252300
 H                  6.47899000    1.10388600   -5.51218100
 C                  0.05623000    4.25323000    4.81055200
 H                 -0.54747600    4.97866800    5.34847900
 C                  0.10648900    2.92640900    5.23616200
 H                 -0.45626700    2.61051500    6.11016300
 Pd                -5.56448600   -0.88641200   -0.27413300
 P                 -7.73506200   -0.32514500    0.50079800
 C                 -8.60516700    0.94116100   -0.54345200
 C                 -8.47378000    0.83458700   -1.93760000
 C                 -9.37327500    1.98412800   -0.00754900
 C                 -9.11216800    1.74517800   -2.77938600
 H                 -7.86788700    0.03703800   -2.36126900
 C                -10.00377400    2.90042600   -0.85371500
 H                 -9.47856100    2.08783500    1.06799600
 C                 -9.87730100    2.78180500   -2.23849100
 H                 -9.00650100    1.64897900   -3.85665100
 H                -10.59469800    3.70655100   -0.42712300
 H                -10.36944000    3.49528700   -2.89377300
 C                 -7.76876600    0.40953200    2.20764100
 C                 -8.79221000    0.16296800    3.13351300
 C                 -6.70567500    1.25008500    2.57445100
 C                 -8.75384500    0.75187000    4.40016100
 H                 -9.61765000   -0.49172100    2.87190500
 C                 -6.67470600    1.84494800    3.83581400
 H                 -5.89879400    1.43387300    1.86828800
 C                 -7.69878600    1.59498900    4.75268500
 H                 -9.55117100    0.54983500    5.11035800
 H                 -5.84735900    2.49638400    4.10471400
 H                 -7.67229400    2.05173200    5.73831500
 C                 -8.94948500   -1.72580400    0.58869000
 C                 -8.45065200   -3.01271700    0.83968600
 C                -10.32998400   -1.55018400    0.41334500
 C                 -9.31796800   -4.10196600    0.93311500
 H                 -7.37878100   -3.15952000    0.94930000
 C                -11.19522800   -2.64306800    0.50025300
 H                -10.73114800   -0.56377200    0.20059700
 C                -10.69202200   -3.91883200    0.76309700
 H                 -8.91925100   -5.09420200    1.12644700
 H                -12.26263600   -2.49621300    0.35912000
 H                -11.36714500   -4.76778800    0.82697100
          179
 3-13C'''' Charge = 1  Multiplicity = 1  E = -13011.174079 a.u.  G = -13009.919412 a.u.
Os                 2.32872700    0.68370600    0.07787800
 P                  1.37016300    0.65863100   -2.28748700
 P                  3.53519500    0.66936600    2.29267400
 Br                 4.77496200    4.79180400   -1.52939100
 Br                 5.31805600   -2.95460200   -1.25869800
 Br                -5.33866700   -2.26063000   -0.49133300
 P                  2.25420300   -4.09633000   -0.02693400
 C                  3.88678100   -1.78464600   -0.64258300
 C                  2.64553200   -2.30758800   -0.10250800
 C                  0.32570200    2.10905000   -2.86020100
 C                  1.75423300   -1.32713400    0.29931600
 H                  0.78666800   -1.65817300    0.67690300
 C                  3.34822100   -0.65876800   -3.82308700
 H                  3.08139600   -1.52794100   -3.23439500
 C                  3.24396900   -4.99224800    1.23170100
 C                 -0.96344500    1.92196000   -3.38588900
 H                 -1.40675700    0.93578100   -3.42827200
 C                  2.68984900    0.56516900   -3.61593700
 C                  2.39085700    4.34019200    0.00423700
 C                  2.30472300    5.82332000    0.12789800
 C                  5.03967300    0.35699000   -1.22005000
 H                  5.93758800   -0.08521600   -1.64779500
 C                  4.86235300    1.71982400   -1.18136100
 H                  5.62888100    2.37928400   -1.57379000
 C                  3.32093500    6.57733500    0.74105400
 H                  4.22819300    6.08628800    1.07743900
 C                  3.65439100    2.23830000   -0.61121700
 C                  3.46228700    3.65027500   -0.57689700
 C                  1.29059200    3.63352600    0.58912400
 H                  0.52811200    4.23402400    1.08042900
 C                  3.98112100   -0.42256000   -0.70030000
 C                  1.22238000    2.28212000    0.65609200
 C                  6.13493700   -0.26810200    1.69994400
 H                  5.62266900   -1.14546900    1.32494600
 C                  3.24642600    3.37489000    3.08960400
 H                  3.69303800    3.59942000    2.12912000
 C                  6.10133200    1.91724300    2.71715400
 H                  5.57651200    2.75074800    3.16587100
 C                  5.39963300    0.80697400    2.22792700
 C                  3.03419500    2.03833200    3.46574500
 C                  0.84442000    3.41234000   -2.81932300
 H                  1.83141900    3.59272700   -2.41573600
 C                  3.31677100   -0.80303300    3.42335400
 C                 -1.70317700    3.00673200   -3.86227200
 H                 -2.69660600    2.83447800   -4.26770500
 C                  1.80753800   -2.33799400    4.55634800
 H                  0.80905400   -2.75057000    4.67516200
 C                 -1.16960400    4.29526200   -3.83331500
 H                 -1.74192100    5.13531000   -4.21684800
 C                  2.04861600   -1.38425600    3.56428200
 H                  1.24033900   -1.06932100    2.91504200
 C                 -0.70968200   -1.23515700   -1.90477700
 H                 -0.72225400   -0.88876300   -0.87988600
 C                 -0.45761200   -4.81827000   -0.42638200
 H                 -0.20584700   -4.98449400   -1.46693300
 C                  0.51076500   -4.36987800    0.48158700
 C                  0.24994900   -0.74566000   -2.80062800
 C                  2.48491000   -4.88375900   -1.66813200
 C                  0.45442200    1.25735500    1.24014400
 H                  0.68387600    1.07041400    2.29045800
 C                 -0.94872700    0.89740900    0.92984800
 C                 -1.73507400    1.59069300   -0.00674800
 H                 -1.30797700    2.42458000   -0.55390200
 C                 -1.13741900   -4.41979300    2.25711200
 H                 -1.39724500   -4.27612400    3.30224000
 C                 -0.76368100   -2.08827900   -4.55933900
 H                 -0.78638000   -2.40331200   -5.59942200
 C                  4.34280400   -1.21212300    4.28990100
 H                  5.32626900   -0.76192600    4.22214800
 C                  8.21539100    0.89307900    2.11988800
 H                  9.30021300    0.92865000    2.07636700
 C                  2.04645700   -4.84372700   -4.04912800
 H                  1.59320200   -4.35927300   -4.90848200
 C                  0.20775700   -1.17800300   -4.13887300
 H                  0.91650000   -0.79108500   -4.86150800
 C                  4.34158100   -0.78322900   -4.79365800
 H                  4.83032200   -1.74309200   -4.93649400
 C                  1.13298300    6.48462800   -0.27803000
 H                  0.33286700    5.91533700   -0.74160900
 C                  1.90678300   -4.26500000   -2.78754400
 H                  1.35281600   -3.33724500   -2.68514000
 C                  2.89785300    4.42248800    3.94246600
 H                  3.07225800    5.44732600    3.62762100
 C                  7.52774500   -0.22780200    1.65013900
 H                  8.07238300   -1.07355000    1.23924100
 C                  3.05016900    1.65780600   -4.41476300
 H                  2.55012400    2.61145000   -4.30846200
 C                 -1.72128700   -2.56269200   -3.65884100
 H                 -2.49381600   -3.24982600   -3.99334000
 C                 -3.05507700    1.20631500   -0.25983100
 H                 -3.62183000    1.74071300   -1.02056100
 C                  3.63552700   -7.02402500    2.49388900
 H                  3.37364200   -8.05276900    2.72289000
 C                  3.20738200   -6.07438600   -1.82131400
 H                  3.67661800   -6.55057800   -0.96779400
 C                  3.17246400    7.95022800    0.92901600
 H                  3.96537900    8.51412700    1.41239700
 C                  4.69471700   -6.40125900    3.16045200
 H                  5.26148200   -6.94934800    3.90761100
 C                  0.10939000    4.49337200   -3.31187600
 H                  0.54503600    5.48812200   -3.28606300
 C                  4.29510700   -4.36677600    1.91115700
 H                  4.54552400   -3.33434300    1.70117300
 C                  2.90470700   -6.32237700    1.53695200
 H                  2.06921500   -6.80572900    1.03882700
 C                  2.01442900    8.60032400    0.49433200
 H                  1.90576000    9.67233700    0.63232700
 C                 -3.63965100    0.15593100    0.46383400
 C                  0.16807300   -4.18232200    1.83094200
 H                  0.92028300   -3.86823200    2.54623300
 C                 -1.54739500   -0.16944100    1.62981300
 H                 -0.96772600   -0.70628800    2.37788900
 C                 -2.86566000   -0.55594000    1.38861000
 H                 -3.28821200   -1.40090900    1.92361700
 C                  4.10649000   -2.18472500    5.26426000
 H                  4.91373900   -2.48478900    5.92675500
 C                  2.83735500   -2.74676100    5.40568700
 H                  2.64885200   -3.48834000    6.17671900
 C                 -1.69549200   -2.13049500   -2.33215700
 H                 -2.45642900   -2.45990400   -1.63163300
 C                  7.49732100    1.96125600    2.65483600
 H                  8.01883200    2.83388900    3.03787200
 C                  3.34482800   -6.64329700   -3.08807300
 H                  3.90983500   -7.56364500   -3.20267900
 C                  2.44830000    1.78000400    4.71491500
 H                  2.27186900    0.76388700    5.04451000
 C                 -1.76135500   -5.05988400    0.01145300
 H                 -2.50847100   -5.40722300   -0.69552900
 C                  2.76504800   -6.03152800   -4.20146800
 H                  2.87538100   -6.47807800   -5.18543500
 C                  4.05288400    1.53477800   -5.38137600
 H                  4.31350600    2.39713600   -5.98853100
 C                  5.01666700   -5.07420400    2.87478100
 H                  5.82792500   -4.58207100    3.40219400
 C                  0.99658800    7.86316900   -0.11214900
 H                  0.09090600    8.35864700   -0.45078600
 C                 -2.10513500   -4.85623600    1.34792400
 H                 -3.12228000   -5.04161400    1.67966400
 C                  4.70428100    0.31758400   -5.57290200
 H                  5.48000300    0.22338800   -6.32763700
 C                  2.31191100    4.15376900    5.18048300
 H                  2.03385900    4.96906100    5.84234100
 C                  2.08580900    2.83139600    5.56045500
 H                  1.63234100    2.60859700    6.52225600
 Pd                -5.60977000    0.02898100    0.34649800
 P                 -8.06061200    0.30282200    0.40256200
 C                 -8.93309500    0.39465600   -1.22675700
 C                 -8.51309100   -0.47491800   -2.24608900
 C                 -9.99196000    1.28269500   -1.46780100
 C                 -9.15482200   -0.46051100   -3.48529500
 H                 -7.68704400   -1.15872200   -2.06911900
 C                -10.62637000    1.29511800   -2.71179500
 H                -10.31850800    1.96708100   -0.69051500
 C                -10.21035400    0.42360400   -3.72038000
 H                 -8.82535000   -1.13786100   -4.26838400
 H                -11.44523700    1.98649700   -2.89106500
 H                -10.70535300    0.43589700   -4.68753800
 C                 -8.42784300    1.92958200    1.21499800
 C                 -9.25735100    2.05859200    2.33673700
 C                 -7.78122700    3.07072800    0.70731500
 C                 -9.43805600    3.30749200    2.93744400
 H                 -9.76362800    1.18857300    2.74204500
 C                 -7.96914000    4.31624800    1.30539800
 H                 -7.13908600    2.98745000   -0.16764700
 C                 -8.79707800    4.43616000    2.42494000
 H                -10.08454700    3.39549900    3.80626700
 H                 -7.46826500    5.19086100    0.89956900
 H                 -8.94092100    5.40517500    2.89447000
 C                 -9.00221000   -0.95103400    1.38114700
 C                 -8.31295700   -1.69323100    2.35127500
 C                -10.37384500   -1.17384300    1.18891600
 C                 -8.99025800   -2.63347300    3.12975200
 H                 -7.24482800   -1.54524300    2.48546700
 C                -11.04634600   -2.11793500    1.96604200
 H                -10.91524900   -0.61788200    0.42940500
 C                -10.35672200   -2.84643200    2.93832000
 H                 -8.44766600   -3.20591100    3.87700500
 H                -12.10814700   -2.28627800    1.80902800
 H                -10.88209200   -3.58316200    3.53973300
          162
 3-8-13Ts' Charge = 1  Multiplicity = 1  E = -13475.301787 a.u.  G = -13474.209512 a.u.
 Os                -0.62546700    0.36129400    0.24517700
 P                 -0.01434700   -0.32395300   -2.13407500
 P                 -1.26857400    1.20737500    2.53236300
 Br                -1.23154600    4.90701700   -1.48709900
 Br                 6.28925000   -2.90941700   -1.02290300
 P                  2.03545500    4.28794600   -0.41098500
 C                 -0.62637200    3.20350200   -0.74983300
 C                  0.73648400    3.00356400   -0.28586600
 C                  0.07421300   -2.14305800   -2.56683200
 C                  0.97642600    1.73480500    0.21119500
 H                  1.99056000    1.51573500    0.54399800
 C                 -1.11412100    1.67792000   -3.82534900
 H                 -0.34826600    2.32410100   -3.41290300
 C                  1.79470300    5.67370500    0.76819300
 C                  1.17351600   -2.69117000   -3.24894500
 H                  2.02975000   -2.08185600   -3.50600800
 C                 -1.20152100    0.33416700   -3.42341700
 C                 -2.78608400   -2.56880200    0.67712700
 C                 -3.55424100   -3.80620000    1.00204000
 C                 -2.79371700    2.01360900   -1.08888400
 H                 -3.30502400    2.82449500   -1.60514800
 C                 -3.39742400    0.80069800   -0.87397700
 H                 -4.40584700    0.61806300   -1.24311400
 C                 -4.73962000   -3.77131000    1.75688800
 H                 -5.11374700   -2.82031000    2.12131400
 C                 -2.66966700   -0.23741100   -0.19362400
 C                 -3.37317600   -1.44908500    0.07240700
 C                 -1.40439300   -2.60277800    1.06874800
 H                 -1.05399600   -3.50344100    1.57027300
 C                 -1.45448600    2.12332500   -0.64041600
 C                 -0.57132000   -1.53939400    0.96526000
 C                 -3.12021700    3.28123800    1.92697800
 H                 -2.43165900    3.53845300    1.13327400
 C                 -2.46414300   -1.09232100    3.65217300
 H                 -3.07888500   -1.06303600    2.76058400
 C                 -3.76460500    1.88938100    3.78858900
 H                 -3.58322900    1.06217900    4.46384800
 C                 -2.86441800    2.16944600    2.74636900
 C                 -1.46408900   -0.12423600    3.83639800
 C                 -1.00595300   -2.97883400   -2.25321800
 H                 -1.87288400   -2.58514000   -1.74098700
 C                 -0.07558700    2.34500700    3.42397400
 C                  1.18531000   -4.04111600   -3.60519900
 H                  2.04506300   -4.44323200   -4.13444700
 C                  2.16357900    2.70490700    4.30893600
 H                  3.20370400    2.39524600    4.37111600
 C                  0.09960500   -4.86295200   -3.29855000
 H                  0.10564500   -5.90996600   -3.58899000
 C                  1.28339900    2.00070100    3.48463900
 H                  1.65023200    1.15639100    2.91317900
 C                  2.77571900    0.14207900   -2.00355500
 H                  2.67808900   -0.10689500   -0.95476700
 C                  4.65951500    3.39027600   -0.98786700
 H                  4.43422200    3.57807000   -2.03074100
 C                  3.69348500    3.61029800    0.00281900
 C                  1.63699300    0.22273700   -2.81637500
 C                  2.13571900    4.95834700   -2.11664900
 C                  0.71542500   -1.12030200    1.35977600
 H                  0.77156500   -0.75672300    2.38716700
 C                  2.00982000   -1.70419700    0.93703300
 C                  2.11533400   -2.81929600    0.09344300
 H                  1.21733400   -3.27587100   -0.30777100
 C                  5.28021300    2.91284500    1.69633300
 H                  5.52340900    2.74031100    2.74105400
 C                  3.08171000    0.69338300   -4.71939100
 H                  3.19194900    0.88975900   -5.78270900
 C                 -0.52203200    3.43440500    4.18693500
 H                 -1.56770100    3.71747800    4.17729800
 C                 -5.15050100    3.77439400    3.15325300
 H                 -6.02991500    4.39273300    3.31035300
 C                  2.23832200    4.51585500   -4.49418300
 H                  2.24500400    3.80427000   -5.31411600
 C                  1.80635900    0.49293700   -4.18640100
 H                  0.94860400    0.52480500   -4.84762900
 C                 -2.00118900    2.20184700   -4.76566900
 H                 -1.90692700    3.24150400   -5.06766800
 C                 -3.05988100   -5.06144500    0.60809200
 H                 -2.14107600   -5.11280900    0.03239300
 C                  2.14199900    4.04763700   -3.18377300
 H                  2.06915800    2.98045800   -3.00013800
 C                 -2.67886700   -2.08958900    4.60329200
 H                 -3.45258700   -2.83328300    4.43439900
 C                 -4.25262500    4.07316800    2.12662400
 H                 -4.42748300    4.92661000    1.47708100
 C                 -2.20504800   -0.46735500   -3.98180000
 H                 -2.31345100   -1.50666500   -3.70144500
 C                  4.20964700    0.60703600   -3.89984400
 H                  5.20269100    0.73999400   -4.32059000
 C                  3.35970300   -3.34127200   -0.27703500
 H                  3.41146200   -4.14891800   -0.99937900
 C                  2.67908200    7.66338800    1.83415600
 H                  3.49035000    8.37136800    1.97557000
 C                  2.21959700    6.33413600   -2.36786300
 H                  2.19699900    7.04858000   -1.55259000
 C                 -5.42091500   -4.94523600    2.08425600
 H                 -6.32676300   -4.89367700    2.68291100
 C                  1.47629600    7.82184400    2.52843000
 H                  1.34991700    8.65899900    3.20894600
 C                 -0.99871300   -4.32493200   -2.62714800
 H                 -1.86636000   -4.93827300   -2.40357200
 C                  0.59763700    5.82554500    1.47714700
 H                 -0.20715100    5.11152800    1.35305100
 C                  2.84373700    6.59050100    0.96006700
 H                  3.78727900    6.46431000    0.43714700
 C                 -4.93470900   -6.18083400    1.65338900
 H                 -5.46727100   -7.09490200    1.90007400
 C                  4.53373400   -2.80570100    0.28168900
 C                  4.01277600    3.37855500    1.35060000
 H                  3.28284700    3.57414200    2.12801200
 C                  3.21394500   -1.14788300    1.43397800
 H                  3.16739000   -0.29218400    2.10432200
 C                  4.45899300   -1.66122500    1.10018100
 H                  5.36646400   -1.20819600    1.48675000
 C                  0.36632000    4.15835400    4.98670600
 H                 -0.00221400    4.99835100    5.56890100
 C                  1.70948700    3.79141900    5.05974600
 H                  2.39440000    4.33978300    5.70018900
 C                  4.05215500    0.32612300   -2.54189000
 H                  4.91910000    0.22911800   -1.89626400
 C                 -4.89903300    2.68289900    3.98530000
 H                 -5.57756900    2.44894200    4.80125500
 C                  2.31049000    6.79294200   -3.68260000
 H                  2.36933300    7.86034700   -3.87398800
 C                 -0.68261700   -0.18175500    4.99989800
 H                  0.08877200    0.55481300    5.18645900
 C                  5.92966900    2.93160400   -0.63145000
 H                  6.67585700    2.77032600   -1.40373900
 C                  2.32047400    5.88721600   -4.74553100
 H                  2.38997300    6.24963500   -5.76710200
 C                 -3.10112700    0.06273100   -4.91483900
 H                 -3.87283600   -0.58100100   -5.32699000
 C                  0.44331400    6.90023500    2.35522100
 H                 -0.48739000    7.01318400    2.90294100
 C                 -3.75000300   -6.23318400    0.91549800
 H                 -3.35909600   -7.19014200    0.58108800
 C                  6.24114700    2.68876400    0.70652700
 H                  7.23195900    2.33678500    0.97895400
 C                 -3.00293800    1.39562700   -5.31147400
 H                 -3.69530800    1.80314200   -6.04313800
 C                 -1.88843700   -2.14361400    5.75315900
 H                 -2.05034700   -2.92378400    6.49158500
 C                 -0.89121000   -1.18872200    5.94645300
 H                 -0.27316900   -1.21636300    6.83958300
 Pd                 5.55242700   -4.58705900    0.90124300
 P                  5.67608700   -4.22239000    3.26847000
 H                  6.33948400   -5.09821700    4.17983800
 H                  6.23296900   -3.02304700    3.80945400
 H                  4.46497800   -4.14699300    4.01826600
 P                  6.06970100   -6.87138400    0.26679800
 H                  6.84908400   -7.13746200   -0.89641300
 H                  6.79373100   -7.75438800    1.12028400
 H                  5.03480900   -7.80424200   -0.03750200
 P                 -6.06804400   -0.22488200    1.12601000
 H                 -6.84796900    0.89533700    0.73093100
 H                 -6.95559000   -0.72511600    2.11898800
 H                 -5.15476300    0.44615000    1.97579600
 P                 -7.60183000   -2.11837300   -1.44513000
 H                 -7.81262300   -1.72871500   -2.79090800
 H                 -7.94243700   -3.48818500   -1.56144100
 H                 -8.84397700   -1.65189300   -0.91310800
 Br                -4.69971300   -3.09683900   -2.50111800
 Pd                -5.37885800   -1.66815900   -0.53933400
          162
 3-8-13C' Charge = 1  Multiplicity = 1  E = -13475.360753 a.u.  G = -13474.261882 a.u.
 Os                -0.67811730    0.47714624    0.29092821
 P                 -0.02517280   -0.25638649   -2.05805936
 P                 -1.32889606    1.34579835    2.56803616
 Br                -1.24263485    5.00951121   -1.48485121
 Br                 6.51750861   -3.32224749   -1.29809324
 P                  2.02153150    4.36517420   -0.39981066
 C                 -0.65593331    3.30565996   -0.73511844
 C                  0.70611609    3.09840104   -0.26999869
 C                  0.07322778   -2.08335813   -2.45733704
 C                  0.93575513    1.83364868    0.23935570
 H                  1.94953901    1.60506006    0.56582121
 C                 -1.09896122    1.73070481   -3.78275029
 H                 -0.34342633    2.38170323   -3.35918152
 C                  1.79288941    5.75136722    0.78086235
 C                  1.19901368   -2.64503608   -3.08338804
 H                  2.07339090   -2.04731209   -3.30257435
 C                 -1.18700179    0.38772890   -3.37774745
 C                 -2.83643332   -2.45514014    0.71529527
 C                 -3.59536432   -3.70248178    1.02740377
 C                 -2.82798854    2.11935434   -1.08131553
 H                 -3.33317385    2.92575789   -1.61089873
 C                 -3.43533266    0.90752689   -0.86560262
 H                 -4.43904358    0.72314917   -1.24712766
 C                 -4.78746942   -3.68805872    1.77170520
 H                 -5.18174368   -2.74383121    2.13343551
 C                 -2.71691027   -0.12717523   -0.16965009
 C                 -3.41699476   -1.34173462    0.09126593
 C                 -1.46935652   -2.47113079    1.14704734
 H                 -1.12488685   -3.35855591    1.67546111
 C                 -1.49209057    2.23173003   -0.62194060
 C                 -0.64897030   -1.39669733    1.05610706
 C                 -3.17877033    3.40955265    1.94393069
 H                 -2.48910317    3.65977838    1.14849790
 C                 -2.52886552   -0.95189552    3.69360050
 H                 -3.15281207   -0.91673601    2.80843220
 C                 -3.82526087    2.03202326    3.81678318
 H                 -3.64242816    1.21160166    4.49989262
 C                 -2.92291737    2.30676388    2.77496298
 C                 -1.52606020    0.01410673    3.87373399
 C                 -1.02566885   -2.90993328   -2.18523970
 H                 -1.91063432   -2.50817993   -1.71070575
 C                 -0.13138567    2.47889735    3.46022957
 C                  1.21594299   -3.99685277   -3.43216293
 H                  2.09864876   -4.40813439   -3.91425482
 C                  2.11392716    2.84472797    4.32685502
 H                  3.15756935    2.54423304    4.37178167
 C                  0.10920937   -4.80689858   -3.17530219
 H                  0.11851710   -5.85480703   -3.46267599
 C                  1.23138759    2.14624885    3.50015984
 H                  1.60102886    1.31732702    2.90905258
 C                  2.76716109    0.12884009   -1.87748043
 H                  2.64344535   -0.14543426   -0.83623912
 C                  4.62772384    3.41591106   -0.97652807
 H                  4.39876619    3.58709907   -2.02139902
 C                  3.67172227    3.66952231    0.01594474
 C                  1.64483211    0.26799640   -2.70679917
 C                  2.13236351    5.03408679   -2.10521099
 C                  0.62195018   -0.95743237    1.47518385
 H                  0.64224114   -0.56154266    2.49108524
 C                  1.90872852   -1.62400209    1.16548672
 C                  1.96999604   -2.80624402    0.41012429
 H                  1.07350031   -3.18723860   -0.06626144
 C                  5.25780746    2.97554064    1.71152927
 H                  5.50455773    2.81638679    2.75754165
 C                  3.13342051    0.72328735   -4.57811737
 H                  3.26746660    0.93627760   -5.63551539
 C                 -0.57913731    3.55185394    4.24540909
 H                 -1.62755529    3.82554446    4.25081913
 C                 -5.21412909    3.90677373    3.16020635
 H                 -6.09607132    4.52372003    3.30878087
 C                  2.24032590    4.58912010   -4.48216900
 H                  2.24205493    3.87741663   -5.30211828
 C                  1.84342772    0.55756670   -4.06838480
 H                  0.99764971    0.63024853   -4.74175177
 C                 -1.97312240    2.24861929   -4.73848247
 H                 -1.87806058    3.28789035   -5.04163825
 C                 -3.07658152   -4.94881742    0.63636221
 H                 -2.15203891   -4.98289528    0.06878687
 C                  2.13194198    4.12301832   -3.17199837
 H                  2.04523211    3.05676934   -2.98910881
 C                 -2.73216654   -1.95754574    4.63851174
 H                 -3.50839738   -2.69935407    4.47272011
 C                 -4.31411803    4.19962795    2.13369427
 H                 -4.49051098    5.04672775    1.47627099
 C                 -2.17782660   -0.41899599   -3.95126059
 H                 -2.28562021   -1.45819097   -3.67108704
 C                  4.24443912    0.57674725   -3.74449508
 H                  5.24834158    0.67585640   -4.14833797
 C                  3.15706406   -3.52490321    0.30322456
 H                  3.15858241   -4.44778521   -0.27403778
 C                  2.69378321    7.72778450    1.85726199
 H                  3.51014315    8.42943659    2.00098947
 C                  2.23392217    6.40855853   -2.35665766
 H                  2.21626953    7.12376148   -1.54187544
 C                 -5.45151406   -4.87420235    2.09167044
 H                 -6.36361619   -4.83879265    2.68196915
 C                  1.49430539    7.88943830    2.55648355
 H                  1.37581120    8.72254443    3.24340191
 C                 -1.01322987   -4.25721189   -2.55468031
 H                 -1.89533910   -4.86223386   -2.36762837
 C                  0.59868687    5.90690506    1.49385521
 H                 -0.21137672    5.19924098    1.36695375
 C                  2.84860093    6.65976283    0.97545881
 H                  3.78983271    6.53021791    0.44923787
 C                 -4.94080047   -6.10101336    1.66415757
 H                 -5.46014007   -7.02416730    1.90531793
 C                  4.32605933   -3.08819974    0.94491317
 C                  3.99597048    3.45579446    1.36559903
 H                  3.27400419    3.67703198    2.14353975
 C                  3.09787353   -1.17017651    1.76533905
 H                  3.08311936   -0.26065222    2.36164654
 C                  4.29251963   -1.88808544    1.66104086
 H                  5.18314978   -1.51227948    2.16016267
 C                  0.31124625    4.27008251    5.04804788
 H                 -0.05845123    5.09718396    5.64785570
 C                  1.65830023    3.91371266    5.10116907
 H                  2.34497172    4.45787632    5.74334902
 C                  4.05748742    0.27319033   -2.39449113
 H                  4.91148486    0.12010866   -1.74227126
 C                 -4.96283746    2.82313903    4.00258413
 H                 -5.64386454    2.59452840    4.81801341
 C                  2.33629115    6.86547430   -3.67123211
 H                  2.40857161    7.93203205   -3.86290722
 C                 -0.73049756   -0.05404604    5.02700273
 H                  0.04433899    0.68018051    5.20909740
 C                  5.89217303    2.94230064   -0.61995978
 H                  6.62908780    2.75187905   -1.39435273
 C                  2.34062337    5.95920560   -4.73372915
 H                  2.41936159    6.32039241   -5.75507966
 C                 -3.06188158    0.10508666   -4.89913544
 H                 -3.82447125   -0.54301725   -5.32127613
 C                  0.45430641    6.97643763    2.37981031
 H                 -0.47387788    7.09176747    2.93124282
 C                 -3.74917241   -6.13252687    0.93627559
 H                 -3.33922797   -7.08223144    0.60375244
 C                  6.20830669    2.71790798    0.71993374
 H                  7.19386074    2.35140800    0.99185492
 C                 -2.96361843    1.43743947   -5.29725810
 H                 -3.64667620    1.84058435   -6.04002827
 C                 -1.92636052   -2.02314428    5.77700046
 H                 -2.07893104   -2.81038182    6.50995386
 C                 -0.92672034   -1.06993698    5.96665107
 H                 -0.29718258   -1.10571520    6.85147401
 Pd                 5.82892449   -4.43231823    0.83422062
 P                  5.31855965   -4.86964960    3.02692542
 H                  5.90501177   -5.92022583    3.77558124
 H                  5.63095436   -3.79769500    3.90950072
 H                  3.95517137   -5.05893365    3.40953954
 P                  7.18933543   -6.38463353    0.24066372
 H                  8.33074266   -6.23754294   -0.60483342
 H                  7.70723194   -7.35188751    1.16228580
 H                  6.47058969   -7.31249656   -0.57938508
 P                 -6.10876252   -0.13102529    1.11980326
 H                 -6.79627585    1.04457034    0.70187652
 H                 -7.08548069   -0.59729495    2.04932644
 H                 -5.20692296    0.46919077    2.03789323
 P                 -7.62798696   -2.06554898   -1.44231257
 H                 -7.85215375   -1.65455982   -2.77918736
 H                 -7.93894379   -3.43874225   -1.58590928
 H                 -8.87881407   -1.63705789   -0.90032436
 Br                -4.71155679   -3.02771161   -2.47822340
 Pd                -5.41168924   -1.58393039   -0.53294090
          143
 1BDE-3'' Charge = 1  Multiplicity = 2  E = -6698.250351 a.u.  
 Os                -0.55291100    0.10768900    0.07176000
 Br                -4.80020600    0.04352800   -2.64560700
 P                  4.20829700    0.08334400   -0.31868000
 P                 -0.48006500    2.61980200    0.26861800
 P                 -0.48959200   -2.39152300   -0.41583600
 C                 -2.17689300    0.25358400   -1.33914100
 C                  1.80956100    0.34463800   -1.71405300
 C                  1.04892800    3.40631800    1.00892700
 C                  0.47503900    0.36864700   -1.84972900
 C                 -1.82866900   -3.50316700    0.27475000
 C                  1.02575500   -3.32846100    0.15083200
 C                  1.72100500    2.78294800    2.07024500
 H                  1.41145800    1.79951200    2.40029600
 C                  2.38980100    0.13608500   -0.42480100
 C                  4.79975100    0.12390900    1.41153300
 C                 -2.08352000    0.02490800    1.38602000
 C                 -3.14562600    3.17355100    1.05650200
 H                 -3.41969600    2.60568800    0.17591100
 C                 -1.73911700    0.44326500   -2.68830900
 H                 -2.45098100    0.53565900   -3.50129400
 C                 -4.20949200    0.10856200    0.15976700
 C                  1.44457300   -3.16111600    1.47951200
 H                  0.95837800   -2.42983900    2.11251700
 C                 -0.66516400   -0.97336600    3.29398700
 C                 -1.79053500    3.35665200    1.37822900
 C                  4.27526100    2.77608800   -1.07620200
 H                  3.37330300    2.88140400   -0.48280600
 C                 -3.43670700    0.02640400    1.36477200
 H                 -3.98554800    0.04670400    2.30358400
 C                  4.81627500    3.89066700   -1.71650800
 H                  4.32654900    4.85429500   -1.61397800
 C                 -3.58209100    0.17086000   -1.08774900
 C                  4.88774200   -1.41521300   -1.13218900
 C                 -0.38942100    0.51235000   -2.95065000
 H                 -0.01722200    0.65227400   -3.96424800
 C                  1.48079300   -0.02572800    0.60711600
 H                  1.86649800   -0.22784200    1.60772300
 C                  0.42358500   -0.76127300    4.16292200
 H                  0.99595200    0.16020900    4.08232300
 C                  4.44243600   -0.90981300    2.29331500
 H                  3.82774200   -1.73674400    1.95338800
 C                 -0.57557100   -2.80569700   -2.24127000
 C                 -1.46794200    4.08577500    2.53346700
 H                 -0.43463900    4.25018000    2.81326700
 C                 -5.68326300    0.16793900    0.37586600
 C                 -1.73937100   -3.31751200   -2.83076500
 H                 -2.62025400   -3.51665300   -2.23390700
 C                 -1.01231500    0.06940000    2.30045600
 H                 -0.76792200    1.06604700    2.67107000
 C                  0.54601600   -2.58783400   -3.05898200
 H                  1.45986200   -2.19674500   -2.62916800
 C                 -1.77738200    4.36264300   -1.62470700
 H                 -2.59659800    4.44316600   -0.92183000
 C                  5.97656200    3.76571400   -2.48470400
 H                  6.39220900    4.63513100   -2.98592600
 C                 -4.19815400   -3.99181500    0.54202600
 H                 -5.23290300   -3.70256700    0.38203500
 C                  5.70699500    0.16490100    4.05589400
 H                  6.06199400    0.17941500    5.08237500
 C                  4.42655400   -1.74969600   -2.41638600
 H                  3.66133200   -1.14446400   -2.89450800
 C                 -4.14973800    3.71934600    1.85649300
 H                 -5.19042900    3.56402300    1.58672300
 C                  2.45131400   -3.96686300    2.01591300
 H                  2.72842500   -3.84495300    3.05985000
 C                 -3.89180400   -5.19845900    1.17299900
 H                 -4.68670900   -5.85461200    1.51619400
 C                 -0.65127600    3.58399900   -1.32562400
 C                  5.95121600   -3.62816300   -2.46795500
 H                  6.36507700   -4.48764500   -2.98741200
 C                  6.07106100    1.40288200   -1.97087900
 H                  6.56157700    0.44086200   -2.07645200
 C                  4.95935200   -2.85475500   -3.07789600
 H                  4.60194700   -3.11051100   -4.07106000
 C                  0.40617600    3.55171400   -2.25137000
 H                  1.29415000    2.96693000   -2.04338700
 C                  4.90242900    1.52717700   -1.20534800
 C                 -1.53080600   -4.72291800    0.90221400
 H                 -0.50455000   -5.03455600    1.04778000
 C                 -3.81771200    4.44061500    3.00453300
 H                 -4.59934100    4.85963600    3.63181100
 C                  6.41437600   -3.29258400   -1.19528900
 H                  7.18944000   -3.88739500   -0.72104300
 C                 -3.17506500   -3.14725600    0.10521900
 H                 -3.43013600   -2.21752700   -0.38483200
 C                  0.50383800   -2.87604200   -4.42300400
 H                  1.38649500   -2.70753000   -5.03471000
 C                  6.06956500    1.18759600    3.17732300
 H                  6.70860800    1.99784200    3.51579300
 C                  4.89452500   -0.88207700    3.61255600
 H                  4.61466900   -1.68208600    4.29166200
 C                 -1.41877000   -2.15013700    3.45999800
 H                 -2.28145500   -2.32290800    2.82596700
 C                  5.88809800   -2.18618900   -0.52477800
 H                  6.25843900   -1.93124500    0.46216800
 C                 -6.46688600    1.21942100   -0.13098300
 H                 -6.00914500    1.98027800   -0.75456500
 C                  5.61744500    1.17242900    1.85658500
 H                  5.90142600    1.97190100    1.18153200
 C                  2.77690700    3.42282800    2.72382600
 H                  3.28204300    2.92159800    3.54436500
 C                 -6.30078700   -0.78954500    1.19873600
 H                 -5.70718200   -1.59842300    1.61474000
 C                  0.76422000   -1.69869300    5.13836600
 H                  1.60221400   -1.50424800    5.80331700
 C                  1.64472900   -4.31733900   -0.62856600
 H                  1.32066500   -4.49815800   -1.64609000
 C                 -8.43423600    0.32321500    0.95878300
 H                 -9.49631900    0.38207000    1.17900600
 C                 -0.66530200   -3.37372400   -5.00181400
 H                 -0.70018300   -3.59442200   -6.06493400
 C                  1.44999300    4.69799400    0.62813100
 H                  0.92992000    5.21767300   -0.16814700
 C                  3.07703100   -4.93416100    1.22593900
 H                  3.86016300   -5.56103300    1.64348800
 C                  3.17829900    4.69901300    2.32587000
 H                  3.99742400    5.19905300    2.83517600
 C                 -1.85577500    5.06868000   -2.82869300
 H                 -2.73995200    5.66352100   -3.03963800
 C                 -2.55580800   -5.55810500    1.35187300
 H                 -2.30301800   -6.49773100    1.83544800
 C                 -2.47607300    4.61787800    3.34105900
 H                 -2.20507000    5.17796200    4.23164300
 C                 -7.82656900    1.29900500    0.16430200
 H                 -8.41356400    2.12359100   -0.23045400
 C                  6.60290500    2.52390600   -2.60959200
 H                  7.50482700    2.42418700   -3.20612200
 C                  2.67253700   -5.10206000   -0.09828300
 H                  3.14022400   -5.85942000   -0.72112100
 C                 -7.66694500   -0.72258800    1.47332200
 H                 -8.12860500   -1.48383000    2.09597800
 C                 -0.80578300    5.02212500   -3.74414400
 H                 -0.86715300    5.57514500   -4.67715800
 C                 -1.07732400   -3.08717400    4.43398600
 H                 -1.67706800   -3.98681300    4.54145000
 C                  2.50973200    5.33509200    1.27809100
 H                  2.80010800    6.33662200    0.97248500
 C                  0.33057400    4.26726900   -3.44580200
 H                  1.16202100    4.23039500   -4.14463600
 C                 -1.78440400   -3.59268400   -4.20022900
 H                 -2.69932400   -3.98725500   -4.63292700
 C                  0.01826500   -2.87206100    5.27472000
 H                  0.27512100   -3.60041100    6.03874500
          143
 1BDE-8'' Charge = 1  Multiplicity = 2  E =  -6698.263875 a.u.  
 Os                -0.90277500    0.13834000   -0.02369500
 Br                 2.86001400    0.43944700   -3.14876400
 P                  3.86227200   -0.11458700    0.14778700
 P                 -0.74173500    2.62992600    0.27554900
 P                 -1.04022500   -2.34527800   -0.56900600
 C                 -2.36241800    0.45401300   -1.57171500
 C                  1.62357300    0.26223600   -1.65113400
 C                  0.67129700    3.33396200    1.28123300
 C                  0.27021900    0.36791200   -1.80211200
 C                 -2.53175700   -3.32639800   -0.00103100
 C                  0.32258800   -3.45143900    0.07169700
 C                  1.18750000    2.63119000    2.37824200
 H                  0.85322200    1.62051400    2.57509500
 C                  2.09091600   -0.01135700   -0.30243400
 C                  4.08015200   -0.18944900    1.97151500
 C                 -2.57780700    0.11505500    1.16232700
 C                 -3.46552800    3.35438600    0.60981600
 H                 -3.61696600    2.85245800   -0.33796700
 C                 -1.81467700    0.64498400   -2.88320000
 H                 -2.46496200    0.80641200   -3.74054700
 C                 -4.54135700    0.35397400   -0.26939000
 C                  0.72469500   -3.31901900    1.40881600
 H                  0.33221600   -2.51378900    2.01784700
 C                 -1.38720500   -1.02318600    3.15226800
 C                 -2.18252300    3.40652700    1.17904200
 C                  4.19584100    2.63083900   -0.20283000
 H                  3.24197100    2.71939500    0.30750100
 C                 -3.92635500    0.18164400    1.02365200
 H                 -4.55527800    0.19419200    1.91091200
 C                  4.85959300    3.78245500   -0.62588400
 H                  4.41445200    4.75396300   -0.43407600
 C                 -3.72292800    0.47493700   -1.37204100
 C                  4.69876600   -1.62900200   -0.46364100
 C                 -0.44826300    0.60767800   -3.00470100
 H                  0.04935000    0.73983200   -3.96323100
 C                  1.07267000   -0.13145800    0.62664300
 H                  1.35650000   -0.36020000    1.65329900
 C                 -0.34071700   -0.92030500    4.09020900
 H                  0.31658600   -0.05416800    4.06285600
 C                  3.70066600   -1.36056800    2.64737500
 H                  3.25300000   -2.18723900    2.10612100
 C                 -1.01770900   -2.72507500   -2.40579600
 C                 -2.02689100    4.03401700    2.42492300
 H                 -1.05448600    4.09066800    2.89855500
 C                 -6.00997300    0.43032400   -0.41268500
 C                 -2.14729700   -3.19106700   -3.09211600
 H                 -3.07770100   -3.36987400   -2.56857200
 C                 -1.58614300    0.06327400    2.16163000
 H                 -1.31524700    1.03339800    2.58147400
 C                  0.17147200   -2.54315200   -3.13083000
 H                  1.06066000   -2.18407100   -2.62873700
 C                 -1.59367300    4.50181700   -1.75301500
 H                 -2.51750900    4.62198500   -1.20185000
 C                  6.08223600    3.68332800   -1.29407000
 H                  6.59458400    4.58155300   -1.62639800
 C                 -4.95171800   -3.59441300    0.06001400
 H                 -5.93696900   -3.21930100   -0.20253600
 C                  4.52087500   -0.42860900    4.72456300
 H                  4.69779100   -0.52345900    5.79209900
 C                  4.07349000   -2.49032200   -1.37166800
 H                  3.07562300   -2.27428400   -1.73105100
 C                 -4.55669500    3.93801000    1.25360800
 H                 -5.53805300    3.89002500    0.79022100
 C                  1.59182500   -4.25090300    1.98515700
 H                  1.85699700   -4.15130200    3.03441300
 C                 -4.81537000   -4.78604900    0.77360000
 H                 -5.69464900   -5.34954500    1.07304400
 C                 -0.58800300    3.64374700   -1.28863800
 C                  6.01901200   -3.92971900   -1.34456600
 H                  6.53265200   -4.82234700   -1.68972000
 C                  5.98970000    1.27052400   -1.11577500
 H                  6.42807700    0.30137700   -1.32620800
 C                  4.73584400   -3.63911400   -1.80852900
 H                  4.24376000   -4.30558100   -2.51023000
 C                  0.61278600    3.56354200   -2.01468300
 H                  1.41801700    2.92574200   -1.67056700
 C                  4.76351800    1.37011100   -0.44538500
 C                 -2.40558200   -4.53110100    0.70798700
 H                 -1.43040300   -4.91851500    0.97291700
 C                 -4.39024700    4.56296300    2.49071600
 H                 -5.24064600    5.01292600    2.99516100
 C                  6.64077700   -3.07868400   -0.42626900
 H                  7.63425600   -3.30853600   -0.05280300
 C                 -3.81986800   -2.87097500   -0.32077000
 H                 -3.94387100   -1.95482400   -0.88162800
 C                  0.23064900   -2.81539700   -4.49712400
 H                  1.16544300   -2.66995300   -5.03176900
 C                  4.91396300    0.72871100    4.05130900
 H                  5.40138000    1.53579600    4.59058800
 C                  3.91280600   -1.47160700    4.02059000
 H                  3.61424400   -2.37874300    4.53775300
 C                 -2.24705100   -2.13215200    3.25006100
 H                 -3.08113700   -2.22216800    2.56283000
 C                  5.98284900   -1.93477100    0.02141800
 H                  6.46449600   -1.29067100    0.75142600
 C                 -6.57706300    1.00354300   -1.56921300
 H                 -5.91597600    1.39050100   -2.33932000
 C                  4.69340700    0.85433200    2.67742500
 H                  5.00747100    1.75690600    2.16629400
 C                  2.11687100    3.22646600    3.23585500
 H                  2.49545400    2.66683700    4.08573200
 C                 -6.87909200   -0.06992200    0.57661700
 H                 -6.47630800   -0.54335000    1.46581900
 C                 -0.14509300   -1.89562800    5.06815500
 H                  0.66492300   -1.78388800    5.78475300
 C                  0.81426500   -4.53345800   -0.67587400
 H                  0.49330700   -4.68204400   -1.70018000
 C                 -8.80617100    0.58612100   -0.73209300
 H                 -9.88387900    0.64779700   -0.85368100
 C                 -0.90581700   -3.26510600   -5.17249600
 H                 -0.86372900   -3.47419800   -6.23769400
 C                  1.11156400    4.65021200    1.05893100
 H                  0.71144100    5.22531800    0.23172600
 C                  2.09088500   -5.31344500    1.22938300
 H                  2.76452800   -6.03771200    1.67893000
 C                  2.55377200    4.53079600    3.00148500
 H                  3.27332700    4.99591700    3.66958100
 C                 -1.41306500    5.23883100   -2.92737400
 H                 -2.20673600    5.89768200   -3.26852800
 C                 -3.53917500   -5.25081300    1.09251200
 H                 -3.41748500   -6.18140700    1.64014300
 C                 -3.12507100    4.60192500    3.07568600
 H                 -2.98293500    5.08207800    4.03982500
 C                 -7.95694900    1.08444800   -1.72511700
 H                 -8.37295600    1.53698000   -2.62087300
 C                  6.64416500    2.42847000   -1.53807300
 H                  7.59164000    2.34665100   -2.06243600
 C                  1.70179200   -5.44820800   -0.10386400
 H                  2.06964300   -6.27974600   -0.69879900
 C                 -8.26147800    0.00550700    0.41537600
 H                 -8.91460500   -0.39240900    1.18691200
 C                 -0.22355100    5.14144500   -3.64731400
 H                 -0.08507300    5.71793900   -4.55760500
 C                 -2.05135200   -3.10730100    4.22742900
 H                 -2.73299900   -3.95189500    4.28053600
 C                  2.05037100    5.23937900    1.90799300
 H                  2.37271500    6.26054400    1.72321600
 C                  0.79390800    4.30619400   -3.18060300
 H                  1.73216700    4.22722100   -3.72276500
 C                 -2.09179100   -3.45145100   -4.46445600
 H                 -2.98180100   -3.81118500   -4.97322100
 C                 -0.99776100   -2.99995500    5.13882100
 H                 -0.85437600   -3.75713300    5.90459800
          143
 3BDE-3'' Charge = 1  Multiplicity = 2   E = -9271.829224  a.u. 
 Os                -0.58856200   -0.35699000    0.05013800
 Br                -4.92070900   -1.48692200    2.36898900
 P                  4.15521100   -0.75822500    0.45758600
 P                 -0.60271700   -2.42342000   -1.40669000
 P                 -0.46399400    1.54511600    1.74058100
 C                 -2.26354400   -1.12680100    1.16788600
 C                  1.70059600   -1.58470600    1.49213700
 C                  0.91096300   -2.78252600   -2.44663500
 C                  0.36216100   -1.61105500    1.57931700
 C                 -1.74855800    2.90622700    1.68623900
 C                  1.09477200    2.57769300    1.75613500
 C                  1.65845100   -1.73408600   -3.00094200
 H                  1.41565600   -0.70986100   -2.74879500
 C                  2.33307400   -0.77147900    0.50256200
 C                  4.79999800    0.09635600   -1.02490600
 C                 -2.07175400    0.44433500   -1.06101700
 C                 -3.26905600   -2.39592100   -2.36345900
 H                 -3.53978800   -2.37017200   -1.31474600
 C                 -1.88014800   -1.99914200    2.23509000
 H                 -2.62227700   -2.45971000    2.87791000
 C                 -4.23930800   -0.14685200   -0.07183700
 C                  1.55939400    3.09384900    0.53682600
 H                  1.08052100    2.80483100   -0.39009500
 C                 -0.55891200    2.20243800   -2.18049100
 C                 -1.91487900   -2.42375900   -2.73520700
 C                  4.08968100   -3.44292900   -0.32556000
 H                  3.20031200   -3.17222100   -0.88468700
 C                 -3.42359700    0.49597900   -1.06122800
 H                 -3.94108000    0.97676400   -1.88836200
 C                  4.56745200   -4.75228800   -0.37396100
 H                  4.04145600   -5.48994600   -0.97234900
 C                 -3.65655200   -0.86137300    0.97795700
 C                  4.85746100    0.04587900    1.95062300
 C                 -0.54347000   -2.25747600    2.44023300
 H                 -0.21124300   -2.91432600    3.24251500
 C                  1.46556600   -0.06130800   -0.31038600
 H                  1.89591700    0.61098900   -1.05462800
 C                  0.54994200    2.41570100   -3.02240700
 H                  1.09115800    1.56077000   -3.42063800
 C                  4.51962800    1.45913600   -1.22063800
 H                  3.93325400    2.01215000   -0.49439100
 C                 -0.59576000    0.97349600    3.51993000
 C                 -1.59412700   -2.43955700   -4.10162300
 H                 -0.56143400   -2.46359700   -4.42815300
 C                 -5.70620000   -0.01649800   -0.30293900
 C                 -1.75870300    1.16224300    4.27854800
 H                 -2.61426100    1.67769300    3.86164400
 C                 -0.97168300    0.81816300   -1.85964200
 H                 -0.74125300    0.13453900   -2.67809200
 C                  0.49253700    0.31677600    4.11881700
 H                  1.40517100    0.16075500    3.55699800
 C                 -1.98945600   -4.85228700   -0.70361400
 H                 -2.79256100   -4.53338600   -1.35539400
 C                  5.71170600   -5.10957700    0.34381100
 H                  6.07825100   -6.13143200    0.30747300
 C                 -4.09345200    3.56027900    1.68836200
 H                 -5.14074500    3.27212300    1.68610900
 C                  5.78613800    1.41843200   -3.28351100
 H                  6.17232500    1.93286200   -4.15874900
 C                  4.36662100   -0.33341200    3.21125400
 H                  3.56903600   -1.06739500    3.28684000
 C                 -4.27513700   -2.40442800   -3.32983500
 H                 -5.31524200   -2.38182500   -3.01772900
 C                  2.60317700    4.02149100    0.50635200
 H                  2.91830300    4.43805200   -0.44683500
 C                 -3.73210100    4.90778900    1.72762300
 H                 -4.49608600    5.67981300    1.74719000
 C                 -0.84149500   -4.06489000   -0.54095100
 C                  5.94494700    1.16528200    4.26896100
 H                  6.36797100    1.59996600    5.17000700
 C                  5.91661900   -2.84148000    1.16230600
 H                  6.44209800   -2.10603600    1.76253100
 C                  4.91127200    0.22903300    4.36427000
 H                  4.53106800   -0.06648100    5.33774300
 C                  0.19372700   -4.55037500    0.27687800
 H                  1.09865500   -3.97022300    0.41165300
 C                  4.76481300   -2.48465600    0.44616800
 C                 -1.39546500    4.26403000    1.73792600
 H                 -0.35641000    4.56622900    1.76781300
 C                 -3.94507700   -2.41882300   -4.68618400
 H                 -4.72801500   -2.41777900   -5.43913800
 C                  6.43800300    1.53641100    3.01756000
 H                  7.24547000    2.25846900    2.94015800
 C                 -3.11012800    2.56874100    1.65850000
 H                 -3.40865600    1.52940200    1.63158300
 C                  0.41895600   -0.13361200    5.43681300
 H                  1.27645600   -0.63128500    5.88248900
 C                  6.07132300    0.06612300   -3.08565400
 H                  6.68109200   -0.47454800   -3.80348700
 C                  5.01156200    2.11278100   -2.35038200
 H                  4.79367800    3.16669100   -2.49697500
 C                 -1.26577700    3.33490400   -1.73589500
 H                 -2.14488700    3.20673900   -1.11415400
 C                  5.89999600    0.97760000    1.85612100
 H                  6.29376400    1.26800800    0.88828800
 C                 -6.54345500   -1.14029000   -0.41567200
 H                 -6.13401300   -2.13415600   -0.26724900
 C                  5.58016900   -0.59851400   -1.96040100
 H                  5.80526800   -1.64927900   -1.81627800
 C                  2.70708400   -1.99231500   -3.88750200
 H                  3.27253200   -1.16422800   -4.30481800
 C                 -6.26076500    1.25588300   -0.52262700
 H                 -5.62432400    2.13355000   -0.45860000
 C                  0.96373100    3.69852900   -3.37968400
 H                  1.81592100    3.83927300   -4.03621300
 C                  1.70744000    3.00713800    2.94326000
 H                  1.35105900    2.65611800    3.90392000
 C                 -8.44019000    0.28156200   -0.90721100
 H                 -9.49604000    0.39522900   -1.13570700
 C                 -0.74958700    0.04854900    6.17906000
 H                 -0.80922400   -0.30608800    7.20414000
 C                  1.22917000   -4.10101100   -2.81461700
 H                  0.65013400   -4.93027500   -2.42479100
 C                  3.22060800    4.42696200    1.69195400
 H                  4.03214200    5.14894600    1.66826700
 C                  3.02452900   -3.30636100   -4.23425500
 H                  3.83761300   -3.50916600   -4.92568200
 C                 -2.11054100   -6.07929100   -0.04458600
 H                 -3.01072100   -6.67105500   -0.18448000
 C                 -2.38083400    5.25385400    1.75093100
 H                 -2.08460700    6.29851400    1.78986800
 C                 -2.60378300   -2.43163200   -5.06722000
 H                 -2.33435700   -2.44253700   -6.11961600
 C                 -7.89482500   -0.99162600   -0.72225700
 H                 -8.52430500   -1.87243800   -0.81295900
 C                  6.38503700   -4.15495900    1.10911300
 H                  7.27417600   -4.43086800    1.66817400
 C                  2.77166900    3.91217100    2.90793400
 H                  3.23353100    4.22794300    3.83918900
 C                 -7.61895000    1.40507300   -0.80446000
 H                 -8.03212800    2.39901500   -0.95163600
 C                 -1.08314300   -6.54602900    0.77343400
 H                 -1.17820900   -7.50138000    1.28169900
 C                 -0.86512800    4.62382200   -2.08303400
 H                 -1.42375100    5.48227200   -1.72668200
 C                  2.28084400   -4.35907100   -3.69666500
 H                  2.50711200   -5.38511600   -3.97374000
 C                  0.07447400   -5.77962900    0.92416800
 H                  0.88911200   -6.13588300    1.54900000
 C                 -1.83566200    0.69769000    5.59444300
 H                 -2.74928000    0.85493100    6.16059800
 C                  0.25500000    4.79828600   -2.89642000
 Br                 0.81794700    6.56941600   -3.37140300
          143
 3BDE-8'' Charge = 1  Multiplicity = 2   E = -9271.843209  a.u. 
 Os                -0.83626000   -0.53097800    0.11351300
 Br                 3.07882800   -2.02648100    2.65208800
 P                  3.89336000    0.13240100    0.03139800
 P                 -0.55663400   -2.55229500   -1.34753700
 P                 -1.08481400    1.36758600    1.81128500
 C                 -2.20054600   -1.65575800    1.33509400
 C                  1.76728900   -1.23631800    1.44531000
 C                  0.83863100   -2.57914800   -2.59334500
 C                  0.43025500   -1.50008400    1.54306300
 C                 -2.64100900    2.41238000    1.80457600
 C                  0.19812900    2.72595000    1.79586500
 C                  1.26373400   -1.39739100   -3.21429300
 H                  0.86595400   -0.44639800   -2.88457200
 C                  2.15456100   -0.31283600    0.39266000
 C                  4.01781700    1.10121400   -1.52590900
 C                 -2.56495000   -0.05314900   -0.88357000
 C                 -3.25218000   -3.22419500   -1.93295200
 H                 -3.38278500   -3.25296800   -0.85789200
 C                 -1.58161400   -2.42085700    2.37777100
 H                 -2.18033400   -3.02457200    3.05664500
 C                 -4.44350500   -1.08246800    0.28742600
 C                  0.56121600    3.29524000    0.56676300
 H                  0.19485600    2.86795300   -0.35842300
 C                 -1.51641100    1.98194100   -2.07531500
 C                 -2.00002000   -2.90137600   -2.48189000
 C                  4.39825600   -2.40690600   -1.00275600
 H                  3.42423100   -2.30941000   -1.47191100
 C                 -3.89950800   -0.27051300   -0.77444900
 H                 -4.56826700    0.10323600   -1.54637800
 C                  5.14878500   -3.56451700   -1.20861400
 H                  4.74960800   -4.35241800   -1.84001700
 C                 -3.56698100   -1.66565500    1.17663700
 C                  4.66569000    1.21415600    1.29605600
 C                 -0.21539500   -2.34555900    2.48518000
 H                  0.33373300   -2.88752900    3.25221200
 C                  1.08886700    0.16501900   -0.34906400
 H                  1.31016200    0.88685500   -1.13507200
 C                 -0.50692800    2.42121200   -2.95395200
 H                  0.18799500    1.69920600   -3.37546400
 C                  3.57079900    2.43277200   -1.52894200
 H                  3.12937700    2.86585200   -0.63768800
 C                 -1.02329500    0.79345300    3.59544500
 C                 -1.87652600   -2.83968200   -3.87875400
 H                 -0.92826700   -2.59275800   -4.34042400
 C                 -5.89823500   -1.30872100    0.40871300
 C                 -2.15681100    0.77650500    4.41916800
 H                 -3.11331800    1.12369900    4.04994300
 C                 -1.62243100    0.54053500   -1.74783300
 H                 -1.32712100   -0.08060200   -2.59503600
 C                  0.19901000    0.36356900    4.13764800
 H                  1.09252800    0.36683100    3.52626800
 C                 -1.19499400   -5.22437500   -0.45498500
 H                 -2.13939700   -5.13272300   -0.97582000
 C                  6.39945600   -3.70768700   -0.60314400
 H                  6.97991600   -4.61196500   -0.76151200
 C                 -5.07277900    2.53203100    1.88572300
 H                 -6.02923800    2.01861600    1.93009600
 C                  4.30532200    2.67544600   -3.82180200
 H                  4.42358300    3.28819000   -4.71087700
 C                  4.03596600    1.47299600    2.51848500
 H                  3.07231300    1.03371900    2.74255700
 C                 -4.34233600   -3.50385800   -2.75695900
 H                 -5.29892400   -3.75700500   -2.30864300
 C                  1.35109900    4.44704900    0.52191700
 H                  1.58616100    4.89539900   -0.43975800
 C                 -5.01900000    3.92622900    1.85221900
 H                 -5.93436700    4.51106300    1.86973600
 C                 -0.26378900   -4.17734200   -0.46803600
 C                  5.88769600    2.88824900    3.17180100
 H                  6.36312700    3.53646400    3.90220100
 C                  6.16058100   -1.52562100    0.41836600
 H                  6.55446000   -0.74912200    1.06461900
 C                  4.64934400    2.31030100    3.45227300
 H                  4.15368500    2.51009900    4.39728500
 C                  0.96849900   -4.36799500    0.18043900
 H                  1.71789900   -3.58591000    0.17165100
 C                  4.90646700   -1.38175500   -0.18952500
 C                 -2.59800000    3.81538000    1.78340100
 H                 -1.65285600    4.34128300    1.74690000
 C                 -4.20792600   -3.44232800   -4.14508700
 H                 -5.05804200   -3.65488700   -4.78708600
 C                  6.51298100    2.64274800    1.94591400
 H                  7.47090600    3.10096500    1.71852800
 C                 -3.89438000    1.78363200    1.85977200
 H                 -3.95459100    0.70492900    1.89982500
 C                  0.28599700   -0.07288600    5.45914000
 H                  1.24561200   -0.39512300    5.85427700
 C                  4.76388000    1.35745900   -3.81519700
 H                  5.24359400    0.94162200   -4.69652800
 C                  3.70765500    3.21095000   -2.67749900
 H                  3.36041400    4.24008200   -2.67344300
 C                 -2.42566000    2.94321500   -1.59854300
 H                 -3.23743700    2.63521900   -0.94919300
 C                  5.90371700    1.81468900    1.00512400
 H                  6.38639200    1.64618500    0.04684900
 C                 -6.38303700   -2.38859600    1.17480100
 H                 -5.66918500   -3.04848200    1.65938100
 C                  4.62036400    0.56658400   -2.67256800
 H                  4.98537700   -0.45379400   -2.67988300
 C                  2.18481300   -1.43253600   -4.26491500
 H                  2.49339800   -0.50487700   -4.73716400
 C                 -6.83565600   -0.45968800   -0.21184000
 H                 -6.49812800    0.39743800   -0.78502400
 C                 -0.38160400    3.76165800   -3.31708000
 H                  0.40076600    4.07551000   -3.99990300
 C                  0.65177600    3.33229300    2.97833300
 H                  0.35822300    2.93713700    3.94358600
 C                 -8.66622100   -1.76690800    0.68062000
 H                 -9.73298900   -1.94424500    0.78332500
 C                 -0.85389900   -0.10009500    6.26531300
 H                 -0.78966100   -0.44339300    7.29395500
 C                  1.36009400   -3.80270900   -3.04802400
 H                  1.03121400   -4.73431200   -2.60183100
 C                  1.81231000    5.03325900    1.70223500
 H                  2.42513900    5.92952200    1.66579500
 C                  2.70411100   -2.65159600   -4.70231600
 H                  3.41774800   -2.68094000   -5.52101100
 C                 -0.91173100   -6.41952800    0.21303100
 H                 -1.64902400   -7.21746600    0.21018300
 C                 -3.77815300    4.56248400    1.80485800
 H                 -3.72056600    5.64743500    1.78930200
 C                 -2.97504400   -3.10288400   -4.70099700
 H                 -2.85778900   -3.04878100   -5.77969500
 C                 -7.74875300   -2.61709600    1.30608900
 H                 -8.10053600   -3.45924400    1.89534200
 C                  6.90201700   -2.68918100    0.20925800
 H                  7.87123700   -2.79915500    0.68660600
 C                  1.46332200    4.46838200    2.92944000
 H                  1.80173200    4.92357700    3.85623400
 C                 -8.20388400   -0.68655800   -0.07408500
 H                 -8.91051000   -0.01630700   -0.55528600
 C                  0.30792500   -6.59291000    0.86498700
 H                  0.52650900   -7.52390500    1.38036500
 C                 -2.31373000    4.28762300   -1.94988400
 H                 -3.02535200    5.01093000   -1.56718500
 C                  2.29097400   -3.83628500   -4.08800800
 H                  2.67806600   -4.79256700   -4.42927600
 C                  1.25210900   -5.56411200    0.83822600
 H                  2.21284700   -5.68740500    1.33050400
 C                 -2.07239200    0.32675200    5.74004000
 H                 -2.96599200    0.32263600    6.35793100
 C                 -1.28485200    4.69046100   -2.80101300
 Br                -1.11685900    6.54078400   -3.28153000
          143
 3BDE-13'' Charge = 1  Multiplicity = 2   E = -9271.813734  a.u. 
 Os                -0.68353300   -0.31406500   -0.03146000
 Br                -4.89106900   -1.87844500    2.25716500
 Br                 2.82200500   -2.57106800    2.53781000
 P                  4.09738100   -0.36943800    0.13862000
 P                 -0.59991500   -2.27319400   -1.63232100
 P                 -0.72993700    1.47535800    1.78066900
 C                 -2.29262200   -1.27100100    1.03865400
 C                  1.71767000   -1.49898100    1.34533800
 C                  0.87725800   -2.45239100   -2.76385800
 C                  0.35175000   -1.55266900    1.36869200
 C                 -2.12240600    2.73032000    1.79466900
 C                  0.73261100    2.63202400    1.90461900
 C                  1.49646700   -1.31604900   -3.30174800
 H                  1.20199600   -0.33218200   -2.95892400
 C                  2.29268800   -0.57745000    0.38310400
 C                  4.45189800    0.65674600   -1.34424000
 C                 -2.23977700    0.46387500   -1.07396300
 C                 -3.30364200   -2.41287800   -2.48671300
 H                 -3.53537100   -2.46116100   -1.42981600
 C                 -1.82615400   -2.18778800    2.03574800
 H                 -2.51892100   -2.75297600    2.64973600
 C                 -4.34676700   -0.34616300   -0.10850700
 C                  1.24309700    3.21074100    0.73359800
 H                  0.87333500    2.89657900   -0.23458700
 C                 -0.85287100    2.39932500   -2.06338400
 C                 -1.96762400   -2.30671800   -2.90698600
 C                  4.31489400   -2.90372200   -1.01068900
 H                  3.39201500   -2.65346100   -1.52420800
 C                 -3.59247600    0.41702800   -1.05922200
 H                 -4.15513100    0.91414800   -1.84619200
 C                  4.91488900   -4.14230900   -1.23783600
 H                  4.45332500   -4.83789200   -1.93196600
 C                 -3.69963900   -1.08844400    0.88658200
 C                  4.93410900    0.51756800    1.50976000
 C                 -0.47071700   -2.34208700    2.20419100
 H                 -0.06566600   -3.02350600    2.94982300
 C                  1.34863800    0.10180400   -0.36877500
 H                  1.72064200    0.82364600   -1.09513900
 C                  0.24441700    2.74398200   -2.87596900
 H                  0.84802900    1.95756500   -3.32235900
 C                  4.18801300    2.03517900   -1.28993100
 H                  3.75161900    2.47617300   -0.40011800
 C                 -0.82512100    0.78814200    3.52266200
 C                 -1.70390300   -2.22240900   -4.28351500
 H                 -0.68827600   -2.13963700   -4.64963500
 C                 -5.82181100   -0.30505800   -0.31479400
 C                 -1.97702400    0.88792000    4.31417200
 H                 -2.86090800    1.39248000    3.94683100
 C                 -1.17483300    0.96886500   -1.84491700
 H                 -0.92355600    0.36992400   -2.72120000
 C                  0.30089700    0.14902400    4.06731900
 H                  1.20675100    0.06013300    3.48168000
 C                 -1.76698100   -4.82285900   -0.95815400
 H                 -2.63834200   -4.53220700   -1.53072400
 C                  6.09475500   -4.48423400   -0.57285800
 H                  6.55661100   -5.45160100   -0.74781000
 C                 -4.50937700    3.20486100    1.88421700
 H                 -5.53124900    2.83731300    1.90844000
 C                  5.10302700    2.29844800   -3.51460600
 H                  5.36216100    2.93644200   -4.35465500
 C                  4.28992800    0.75200000    2.72956400
 H                  3.27204800    0.41809900    2.88393300
 C                 -4.34391900   -2.45639200   -3.41528100
 H                 -5.36878100   -2.53795700   -3.06534600
 C                  2.19242600    4.23405500    0.80192800
 H                  2.54415500    4.69712300   -0.11619900
 C                 -4.25004100    4.57507000    1.94242400
 H                 -5.06911400    5.28592700    2.00479300
 C                 -0.66207700   -3.96790900   -0.84895700
 C                  6.27005200    1.86817300    3.56051900
 H                  6.78946900    2.39049500    4.35868900
 C                  6.08927100   -2.33956900    0.55023400
 H                  6.54265700   -1.65443800    1.25772200
 C                  4.96010700    1.42781400    3.75089500
 H                  4.45309900    1.61017800    4.69343500
 C                  0.46445500   -4.41427400   -0.13697700
 H                  1.34285900   -3.78545400   -0.05356700
 C                  4.90555500   -1.99731300   -0.11638000
 C                 -1.87288800    4.11052500    1.86141500
 H                 -0.86011000    4.49145300    1.85906800
 C                 -4.06992600   -2.37248800   -4.78123900
 H                 -4.88029100   -2.39942400   -5.50408300
 C                  6.91218800    1.64668500    2.33885400
 H                  7.92776100    1.99808400    2.18265900
 C                 -3.45561000    2.29175300    1.80169800
 H                 -3.67861700    1.23417000    1.76345000
 C                  0.27712900   -0.37592900    5.35876900
 H                  1.16508900   -0.86025000    5.75598700
 C                  5.38146100    0.93184500   -3.56296900
 H                  5.86179100    0.50279000   -4.43758300
 C                  4.50526100    2.84817300   -2.37704400
 H                  4.29887000    3.91343600   -2.32898500
 C                 -1.63754500    3.44807700   -1.55181500
 H                 -2.50981800    3.21930000   -0.94972200
 C                  6.24738200    0.98005700    1.31134700
 H                  6.74700500    0.82994600    0.35881300
 C                 -6.58544300   -1.47651600   -0.46425500
 H                 -6.10964200   -2.44644100   -0.36454300
 C                  5.05595700    0.10742800   -2.48309500
 H                  5.28236600   -0.95130100   -2.53085700
 C                  2.47378200   -1.43585200   -4.29334400
 H                  2.93226600   -0.54146400   -4.70379600
 C                 -6.46327100    0.93577300   -0.47268200
 H                 -5.88692900    1.85106500   -0.37616900
 C                  0.57148400    4.07300400   -3.14301800
 H                  1.41740200    4.31439900   -3.77781600
 C                  1.20168500    3.09619100    3.14432000
 H                  0.80044400    2.69337500    4.06664900
 C                 -8.57919300   -0.16503500   -0.87089400
 H                 -9.64364200   -0.11263800   -1.08090100
 C                 -0.88202800   -0.28353600    6.13203200
 H                 -0.90516200   -0.69543800    7.13689800
 C                  1.26140700   -3.71715100   -3.24124200
 H                  0.78083200   -4.61161300   -2.86195300
 C                  2.66583700    4.67726600    2.03830800
 H                  3.40201000    5.47452200    2.08936100
 C                  2.85461900   -2.69682400   -4.75452900
 H                  3.61056700   -2.79140600   -5.52910100
 C                 -1.75544500   -6.08034500   -0.34734600
 H                 -2.62359700   -6.72616500   -0.44402100
 C                 -2.92891300    5.02225000    1.92847300
 H                 -2.71077200    6.08543600    1.97980600
 C                 -2.74894400   -2.25029200   -5.21012900
 H                 -2.52205500   -2.18270600   -6.27039100
 C                 -7.94804600   -1.40564600   -0.74734300
 H                 -8.51903300   -2.32200300   -0.86768700
 C                  6.67876100   -3.58323000    0.31991400
 H                  7.59297500   -3.84746700    0.84307500
 C                  2.16993100    4.10096000    3.20825500
 H                  2.51724600    4.44736800    4.17776800
 C                 -7.83252700    1.00543200   -0.73018800
 H                 -8.31276800    1.97490300   -0.82872600
 C                 -0.63799600   -6.50827000    0.36770800
 H                 -0.63087300   -7.48714600    0.83861000
 C                 -1.32458100    4.78204900   -1.80867700
 H                 -1.94397100    5.57424300   -1.40267000
 C                  2.24742400   -3.83683300   -4.22287600
 H                  2.52490900   -4.82301000   -4.58509800
 C                  0.47741200   -5.67312400    0.46226200
 H                  1.36119400   -5.99674100    1.00509900
 C                 -2.00545600    0.35057600    5.60462400
 H                 -2.91198500    0.44037200    6.19635000
 C                 -0.21474300    5.08685700   -2.59668200
 Br                 0.22612500    6.92082200   -2.94843500
          1
 Br. Charge = 0  Multiplicity = 2   E = -2574.140943  a.u. 
Br                   -1.07186   0.17661   0.000000
          66
 1' Charge = 1  Multiplicity = 1   E = -7192.260507  a.u. 
 Os                 1.33530400   -0.25138000    0.00000000
 Br                 0.69256400   -5.24664200   -0.06676000
 Br                 6.20459300    0.20468500   -0.25165200
 P                  4.57054600    3.26595100    0.18924800
 P                  1.30264700   -0.02573200   -2.50960900
 P                  1.60231600   -0.62808900    2.50940900
 C                  1.37198300   -2.39636800   -0.20437000
 C                  4.27158300    0.39881100   -0.10706600
 C                  3.42249800   -0.67004300   -0.17940200
 C                  3.64098600    1.68800800    0.10944700
 C                 -0.66765200   -0.57818100    0.00000000
 C                  2.69842500   -2.91439300   -0.36315100
 H                  2.87772100   -3.97720700   -0.48536800
 C                 -1.08424700   -2.99275800   -0.16969400
 C                 -1.23588300    1.70787800    1.05291900
 C                 -1.51768500   -1.62997700   -0.07079400
 H                 -2.58869400   -1.45018600   -0.13256700
 C                  0.27919300   -3.31247000   -0.18149700
 C                  3.75319900   -2.03287100   -0.35944900
 H                  4.77956200   -2.37687100   -0.47221000
 C                  2.26113400    1.62347900    0.20857000
 H                  1.73119900    2.55668300    0.39612000
 C                 -1.15873700    3.10607000    0.90091700
 H                 -0.67129700    3.51999600    0.02117800
 C                 -2.18870800   -3.98463600   -0.30077300
 C                 -0.66765200    0.82956000    0.00000000
 H                 -0.76823100    1.28335400   -0.98745800
 C                 -1.92034200    1.20712800    2.17490800
 H                 -2.02632300    0.13507400    2.29936100
 C                 -2.24267500   -4.90121000   -1.36599300
 H                 -1.43060400   -4.94141600   -2.08424500
 C                 -3.26765100   -3.94237700    0.59934800
 H                 -3.25120500   -3.23118500    1.41982400
 C                 -1.71654800    3.96909200    1.84470300
 H                 -1.65078900    5.04401700    1.69559800
 C                 -4.38566400   -5.72260000   -0.59584200
 H                 -5.23019900   -6.39637200   -0.70866800
 C                 -3.33385300   -5.75484500   -1.51532200
 H                 -3.36067400   -6.44975800   -2.34997400
 C                 -4.34750100   -4.81507900    0.46340900
 H                 -5.16191500   -4.77911600    1.18150600
 C                 -2.47653200    2.06947200    3.11891100
 H                 -3.00124900    1.65471800    3.97527000
 C                 -2.37396400    3.45436100    2.96462000
 H                 -2.81729500    4.12294100    3.69720600
 H                  3.70536500    4.30099800    0.13787200
 H                  5.26810100    3.31940700    1.34383000
 H                  1.56142100    1.17978900   -3.05938700
 H                  0.11032500   -0.28045400   -3.08925000
 H                  2.17247000   -0.80672500   -3.18485600
 H                  2.54251400   -1.54547700    2.82074100
 H                  1.97217500    0.42525500    3.26846800
 H                  0.55091500   -1.06568900    3.23436600
 H                  5.42274300    3.33951900   -0.85518900
 Bq                 2.98630100    0.55777500    0.00631000
 Bq                 3.04596900    0.43096000    0.99644000
 Bq                 2.92663300    0.68459000   -0.98382000
 Bq                 2.51628200   -1.65301100   -0.22127500
 Bq                 2.45145700   -1.55082700   -1.21392600
 Bq                 2.58110700   -1.75519500    0.77137600
 Bq                -0.04718400   -1.86018900   -0.10439300
 Bq                -0.06813700   -1.76571600   -1.09970000
 Bq                -0.02623100   -1.95466200    0.89091400
 Bq                 0.00000000    0.00000000    0.00000000
 Bq                 0.00000000    0.00000000    1.00000000
 Bq                 0.00000000    0.00000000   -1.00000000
          69
 3' Charge = 1  Multiplicity = 1   E = -7192.260507  a.u. 
 Os                -1.99895200    3.86968000    1.69182600
 P                  0.03819400    3.45265500    3.16526900
 P                 -4.08947700    4.48241100    0.40277500
 Br                 0.04280000    8.43645000    1.03949800
 Br                -4.64322400    4.45387900    5.77150500
 Br                 1.64351600   -2.87492000    0.03814800
 P                 -4.54940600    1.14231500    4.67914000
 C                 -3.67951800    3.85760900    4.18890400
 C                 -3.69642100    2.47373200    3.75439600
 C                 -2.96654700    2.24122300    2.60061000
 H                 -2.91700700    1.21153100    2.24717900
 C                  0.00607700    6.01468400   -0.49819600
 C                  0.78317500    6.76432300   -1.52522200
 C                 -2.71545100    6.08936200    3.61969500
 H                 -3.13714800    6.63351300    4.46264300
 C                 -1.90809400    6.71095400    2.69736000
 H                 -1.68449200    7.76757500    2.79518300
 C                  0.27604300    7.92106000   -2.14360700
 H                 -0.67770100    8.32872100   -1.82516400
 C                 -1.38116000    5.93494000    1.61443500
 C                 -0.53484100    6.57887200    0.66343200
 C                 -0.20483600    4.63128100   -0.80870300
 H                  0.18670100    4.27762000   -1.75987000
 C                 -2.93921500    4.70879700    3.41739200
 C                 -0.94600200    3.79878800   -0.04055400
 C                 -1.47919600    2.49550200   -0.04394600
 H                 -2.39243600    2.37942100   -0.62927500
 C                 -0.70352500    1.23329400    0.00141600
 C                  0.70210400    1.19860500   -0.00916100
 H                  1.26063800    2.12781100   -0.03371400
 C                  2.01084400    6.24824200   -1.97495100
 H                  2.41122900    5.34830300   -1.51774500
 C                  1.39936300   -0.00843400    0.00141600
 H                  2.48384400   -0.01099800   -0.00749100
 C                  0.98298800    8.54678000   -3.16869400
 H                  0.57085000    9.43454000   -3.64012000
 C                  2.21688000    8.04037600   -3.58551500
 H                  2.77095600    8.53615900   -4.37742000
 C                  0.69069400   -1.20979900    0.01546700
 C                 -1.38511100    0.00140500   -0.01055600
 H                 -2.47199100   -0.00873700   -0.04059900
 C                 -0.70352500   -1.21507100    0.00141600
 H                 -1.24984800   -2.15209800   -0.00873100
 C                  2.72962200    6.89071400   -2.98323400
 H                  3.68631500    6.48708800   -3.30270800
 H                 -4.15957200    1.12875300    5.97155800
 H                 -5.89484600    1.22963900    4.61083700
 H                  0.13539500    2.28109600    3.82897200
 H                  1.27033400    3.50194900    2.61581300
 H                  0.14110900    4.33323100    4.18335300
 H                 -4.70540600    5.62693700    0.76773000
 H                 -5.12357100    3.61459400    0.39610500
 H                 -3.91063700    4.62776600   -0.92740800
 H                 -4.26802400   -0.06949400    4.15488500
 Bq                -3.05613100    3.43020800    3.13062600
 Bq                -2.23808100    3.23461800    3.67149500
 Bq                -3.87418000    3.62579900    2.58975700
 Bq                -2.18857400    5.46274700    2.60814200
 Bq                -2.99649700    5.68214100    2.06121600
 Bq                -1.38065200    5.24335300    3.15506800
 Bq                -0.84328600    5.13804100    0.43704000
 Bq                -1.66602900    5.36461700   -0.08426400
 Bq                -0.02054300    4.91146500    0.95834300
 Bq                -1.47471700    3.38799000    0.53577500
 Bq                -0.67378000    3.05901300    1.03605100
 Bq                -2.27565300    3.71696700    0.03550000
 Bq                 0.00000000    0.00000000    0.00000000
 Bq                 0.00000000    0.00000000    1.00000000
 Bq                 0.00000000    0.00000000   -1.00000000