14
Me3PSe in vacuum
P                  0.65286300    0.00001600   -0.00001300
Se                -1.43763100   -0.00000300    0.00001300
C                  1.40217700   -0.20769700    1.63366000
H                  1.06520600    0.59793900    2.27553900
H                  1.06456400   -1.14798500    2.05376800
H                  2.48646400   -0.19991000    1.56917600
C                  1.40210500   -1.31103600   -0.99670000
H                  1.06502800   -2.26971300   -0.61994900
H                  1.06456800   -1.20474500   -2.02109000
H                  2.48639500   -1.25919800   -0.95764400
C                  1.40210000    1.51872500   -0.63698500
H                  1.06454700    2.35267500   -0.03267600
H                  2.48639300    1.45903400   -0.61162100
H                  1.06505200    1.67181600   -1.65560000

23
Et3PSe in vacuum
P                  0.23276200    0.16137800   -0.07825300
Se                -1.69339300   -0.62048000   -0.34736100
C                  0.99298200   -0.26952200    1.51950600
H                  1.93273700    0.27363700    1.60490100
C                  1.41534200   -0.41279200   -1.33883500
H                  1.03292400   -0.03813500   -2.28476200
H                  1.29793300   -1.49234400   -1.37152200
C                  0.32101500    1.97826400   -0.14629900
H                  1.35697400    2.27100300    0.01358300
H                  0.32065400    0.11440700    2.28133100
H                  0.05404500    2.24845500   -1.16494500
C                 -0.60341100    2.66006700    0.84845200
H                 -0.31653500    2.44114800    1.87250300
H                 -0.57118100    3.73697900    0.71914700
H                 -1.62497900    2.32390200    0.70664000
C                  2.86885700   -0.02122300   -1.12499900
H                  3.26488900   -0.44655400   -0.20782900
H                  3.48046000   -0.38639300   -1.94408400
H                  2.99805100    1.05546500   -1.07810900
C                  1.19330900   -1.76604000    1.68485300
H                  1.56700500   -1.99575300    2.67721900
H                  0.25403000   -2.29028600    1.54035400
H                  1.90835800   -2.15242700    0.96356900

41
tBu3PSe in vacuum
P                 -0.00010700   -0.00024500    0.02200900
Se                 0.00478600    0.00134900    2.13946200
C                  1.57496800   -0.84821300   -0.62014900
C                 -1.52384400   -0.94160200   -0.61347200
C                 -0.05538900    1.78838700   -0.61817200
C                 -2.75946200   -0.07159300   -0.37971700
H                 -3.63949200   -0.68533800   -0.55859200
H                 -2.79731900    0.28024100    0.64677700
H                 -2.81324100    0.77505900   -1.05195200
C                 -1.46163000   -1.33155200   -2.08812200
H                 -0.70999000   -2.08671000   -2.28265000
H                 -2.42375600   -1.75902100   -2.36449800
H                 -1.28010600   -0.48969800   -2.74470700
C                 -1.74983800   -2.20180200    0.22630600
H                 -1.84813500   -1.95301000    1.27632200
H                 -2.67937400   -2.65620000   -0.11155000
H                 -0.96822700   -2.93954800    0.12387200
C                 -1.03162600    2.61660200    0.22186300
H                 -0.95984100    3.64813800   -0.11788000
H                 -2.06188900    2.30958900    0.12141000
H                 -0.76544800    2.57880300    1.27154500
C                  1.31652300    2.42382600   -0.38937400
H                  1.22448700    3.49261700   -0.56913500
H                  1.64333100    2.28174000    0.63625100
H                  2.07443300    2.04645900   -1.06378000
C                 -0.42797200    1.92606100   -2.09236400
H                 -1.45902000    1.65455500   -2.28353900
H                 -0.31549200    2.97199600   -2.37196400
H                  0.20716100    1.34466000   -2.74916100
C                  2.78277900   -0.41412700    0.21502100
H                  3.63943700   -0.99237100   -0.12620300
H                  3.03117200    0.63158000    0.11157000
H                  2.62042300   -0.62355500    1.26567700
C                  1.44058300   -2.35355500   -0.38720200
H                  0.73217800   -2.82311400   -1.05756400
H                  2.41162500   -2.80848000   -0.56948300
H                  1.15801900   -2.56313200    0.64000800
C                  1.87580500   -0.59766500   -2.09577600
H                  2.15365300    0.43111900   -2.28980600
H                  2.72568100   -1.21714400   -2.37638900
H                  1.05321400   -0.86003700   -2.74945500

41
nBu3PSe in vacuum
P                 -0.36993900   -0.27788900   -0.43806400
Se                -1.40708900   -1.82280200   -1.40584400
C                  0.42091600   -0.77232000    1.12383000
H                  0.82141000    0.12634000    1.58986400
C                  0.97548500    0.41987400   -1.44730500
H                  0.49049200    0.86559900   -2.31334800
H                  1.53293400   -0.43608500   -1.82010300
C                 -1.40244000    1.15034100    0.01185900
H                 -0.75748200    1.89278900    0.47718600
H                 -0.37490600   -1.14905500    1.76208200
H                 -1.76296000    1.56512000   -0.92790300
C                  1.90102100    1.41293100   -0.76106000
H                  2.39882900    0.93344700    0.08087600
H                  1.32908900    2.24222100   -0.34745400
C                  2.95607800    1.96392200   -1.70748600
H                  3.52424500    1.13521600   -2.12682700
H                  2.46279300    2.44977600   -2.54764100
C                  3.89568700    2.94046000   -1.02496500
H                  4.41903600    2.46496200   -0.19943700
H                  4.64192600    3.32281500   -1.71414000
H                  3.34993900    3.78981900   -0.62220900
C                 -2.57542600    0.79089100    0.91213900
H                 -3.10379900   -0.04963500    0.46942700
H                 -2.20231600    0.45296200    1.87851900
C                 -3.53875900    1.94992600    1.12727800
H                 -3.93657900    2.26335300    0.16314800
H                 -4.38767000    1.58878100    1.70351100
C                 -2.92017400    3.14116900    1.83801000
H                 -2.49323800    2.84411800    2.79322300
H                 -2.12771800    3.59437500    1.24913200
H                 -3.66001600    3.91150700    2.03186800
C                  1.49047600   -1.83615600    0.93091700
H                  1.05191100   -2.66560500    0.38141900
H                  2.29151200   -1.43884900    0.30658500
C                  2.08451900   -2.33643000    2.24004800
H                  1.28843600   -2.75043100    2.85702400
H                  2.75866900   -3.16099800    2.01937600
C                  2.83536600   -1.26959000    3.01808300
H                  3.61838400   -0.82439800    2.40802000
H                  2.17681100   -0.46979600    3.34453600
H                  3.30388300   -1.68486500    3.90483700

35
Ph3PSe in vacuum
P                  0.00162800   -0.00177100    0.51848000
Se                 0.00045700   -0.01051900    2.61592200
C                 -0.97760500   -1.34082000   -0.22029000
C                 -1.67222000   -1.16969300   -1.41091800
C                 -1.00434400   -2.57232700    0.42044600
C                 -2.38165100   -2.22483100   -1.95708500
H                 -1.66904100   -0.21379200   -1.90798300
C                 -1.70832600   -3.62466800   -0.13207900
H                 -0.48749500   -2.68835400    1.35958400
C                 -2.39771500   -3.45253900   -1.32066600
H                 -2.92508000   -2.08409000   -2.87676700
H                 -1.72656800   -4.57751000    0.37042600
H                 -2.95307000   -4.27241000   -1.74551900
C                 -0.67191600    1.51922400   -0.21029600
C                 -0.18004200    2.04285200   -1.39876200
C                 -1.72600000    2.15185700    0.43531300
C                 -0.74481700    3.18488800   -1.93923200
H                  0.64670100    1.56738700   -1.89979000
C                 -2.29056200    3.28814800   -0.11113100
H                 -2.08213500    1.75624000    1.37293100
C                 -1.80128100    3.80577200   -1.29871600
H                 -0.35444500    3.59046600   -2.85796100
H                 -3.10768300    3.77508500    0.39477900
H                 -2.23789300    4.69674600   -1.71901900
C                  1.65310200   -0.17619500   -0.21665900
C                  2.73430600    0.39884500    0.43788800
C                  1.85184100   -0.84051400   -1.41992900
C                  3.99857700    0.32142800   -0.11386700
H                  2.57625200    0.88633900    1.38646500
C                  3.12086300   -0.91996200   -1.96611300
H                  1.02162700   -1.30270700   -1.92770700
C                  4.19336100   -0.33692500   -1.31617500
H                  4.83386700    0.76829000    0.39933700
H                  3.27017400   -1.44239800   -2.89654100
H                  5.18139600   -0.40232500   -1.74115700

28
MePh2PSe in vacuum
P                 -0.03667400    0.59268000    0.57812800
Se                -0.16987000    2.52404200   -0.22004200
C                 -0.06362000    0.54666800    2.38795000
H                  0.83511800    1.01868700    2.76742400
H                 -0.92943900    1.11362800    2.70820600
H                 -0.14335000   -0.46933800    2.76041300
C                  1.46801800   -0.30537600    0.10459600
C                  2.08116200   -1.21913500    0.95269500
C                  2.00239600   -0.08198600   -1.15755100
C                  3.20878900   -1.90605100    0.53919400
H                  1.69406700   -1.39638000    1.94228300
C                  3.12368300   -0.77485700   -1.57033400
H                  1.54188600    0.65172500   -1.79949100
C                  3.72820000   -1.68811800   -0.72351000
H                  3.68220400   -2.60746600    1.20612600
H                  3.53170700   -0.59505900   -2.55108500
H                  4.60705600   -2.22257000   -1.04423100
C                 -1.39640800   -0.51931100    0.10550000
C                 -1.37448800   -1.85148500    0.50286900
C                 -2.46200000   -0.04264600   -0.63961500
C                 -2.41360200   -2.69473100    0.16258700
H                 -0.53914400   -2.23699200    1.06666400
C                 -3.50238400   -0.89009600   -0.97943400
H                 -2.46279300    0.99060900   -0.94810200
C                 -3.48007200   -2.21306200   -0.57894300
H                 -2.39046500   -3.72696000    0.47056800
H                 -4.32929400   -0.51464800   -1.55915000
H                 -4.28990800   -2.87174300   -0.84613000

34
Me3PSe in solution 4 CF3H
P                  0.10226600   -1.42680500    1.21476100
C                  1.95407500    2.35181100    0.39263700
H                  1.99270700    1.53543700   -0.32571200
C                  3.95632500   -1.05537600   -1.12355700
H                  2.92608300   -1.20506800   -1.44674900
C                 -2.12688500    2.34397000   -0.38390100
H                 -1.19728000    1.79576200   -0.53147200
C                 -3.75301600   -1.26312500   -0.67537400
H                 -2.86664600   -0.85300000   -1.15705000
F                  0.85515700    3.10580000    0.20083000
F                  4.07144000    0.10602800   -0.44693200
F                  4.35108900   -2.04734800   -0.30426800
F                  1.90405500    1.86910900    1.65149300
F                 -2.46696700    2.36701300    0.91761300
F                 -3.13386400    1.75797400   -1.06288700
F                 -3.88067300   -0.77658900    0.57500900
F                 -4.87125800   -0.96362400   -1.35391400
F                 -3.66649000   -2.60434400   -0.58355400
F                 -2.02567600    3.61339500   -0.81026700
F                  3.02833500    3.14932300    0.29802800
F                  4.80274600   -1.01297200   -2.16446400
Se                 0.12370000   -0.77796300   -0.83600900
C                  1.75765800   -1.57754800    1.93839700
H                  2.33847600   -2.29767400    1.36495900
H                  2.25306200   -0.60900000    1.90806500
H                  1.67468400   -1.91388400    2.97300500
C                 -0.80777500   -0.29809300    2.30252200
H                 -0.33403400    0.68154000    2.27502100
H                 -1.83480300   -0.21077800    1.95303200
H                 -0.79670500   -0.68238600    3.32346600
C                 -0.66998100   -3.05471500    1.42248100
H                 -0.11016000   -3.78804600    0.84348200
H                 -0.66376800   -3.33554600    2.47669700
H                 -1.69486000   -3.01997400    1.05671100

43
Et3PSe in solution 4 CF3H
P                  0.93570900   -0.02495500    1.45844100
C                 -1.16313800    3.49869900   -0.17961700
H                 -0.44518800    2.80787300   -0.62110900
C                  4.09576000   -0.15018100   -1.63188500
H                  3.02530700   -0.35705400   -1.60209800
C                 -3.48223900    0.16460200   -1.18211400
H                 -2.47682700    0.53314500   -0.98236800
C                 -1.55071600   -3.33528800   -0.18361500
H                 -1.31964700   -2.40977900   -0.70862700
F                 -2.37203000    2.91327800   -0.06889900
F                  4.32310800    1.17370400   -1.70246200
F                  4.69989300   -0.61091600   -0.51684800
F                 -0.77271700    3.86672400    1.05652500
F                 -4.27609700    0.32529000   -0.10870100
F                 -3.45138700   -1.14975200   -1.47953000
F                 -1.97005800   -3.07403800    1.07095400
F                 -2.51462000   -4.03295600   -0.80540600
F                 -0.45995500   -4.11905300   -0.09464700
F                 -4.04366300    0.81075000   -2.21713800
F                 -1.30592900    4.61047100   -0.91770200
F                  4.68428500   -0.73180100   -2.69001500
Se                 0.34984900    0.02128700   -0.61247200
C                  2.48689900    0.88717100    1.78989800
H                  3.29136600    0.30068200    1.34428200
H                  2.62886400    0.85725400    2.87381100
C                 -0.29789400    0.70747500    2.59312900
H                 -0.30474300    1.77926100    2.39024600
H                  0.10398300    0.57201700    3.60133800
C                  1.22925600   -1.71964400    2.08134800
H                  1.56863100   -1.61124500    3.11554500
H                  0.25471900   -2.20921500    2.11031200
C                  2.21906800   -2.54333700    1.25836500
H                  2.30028200   -3.54613500    1.67914100
H                  1.88415900   -2.63663500    0.22568600
H                  3.21481700   -2.09964000    1.25580700
C                 -1.70810800    0.13242100    2.48000600
H                 -2.37038100    0.64237700    3.18041500
H                 -2.10795500    0.27382900    1.47755000
H                 -1.73524400   -0.93310800    2.70733500
C                  2.51815400    2.32294000    1.26759500
H                  3.48523400    2.77416900    1.49238200
H                  2.37623700    2.34726300    0.18709400
H                  1.74617300    2.94106600    1.72685600

61
tBu3PSe in solution 4 CF3H
P                 -0.32747400    1.76777100    0.35844900
C                 -1.37731200   -3.36774800    0.53098000
H                 -1.00949500   -2.94331200   -0.40176600
C                 -3.61901400   -1.30276300   -1.58958700
H                 -2.63957800   -0.90579400   -1.31730800
C                  2.44576200   -2.21335600    1.27913400
H                  1.53716000   -1.78586800    0.85615500
C                  3.80146800   -0.46086300   -1.97580900
H                  2.83245800   -0.48540000   -1.47698200
F                 -1.83992600   -4.61318200    0.35286500
F                 -3.57240100   -2.64212300   -1.72298200
F                 -4.53616600   -1.01002600   -0.64977700
F                 -0.39283400   -3.41429800    1.44913000
F                  2.37289600   -2.28463900    2.61886300
F                  3.51161100   -1.44879500    0.96336400
F                  4.69225700    0.25211700   -1.26428100
F                  4.29397700   -1.70090500   -2.13865900
F                  3.69365500    0.10720800   -3.19101500
F                  2.66964600   -3.44932900    0.80438700
F                 -2.37326000   -2.61726200    1.03439600
F                 -4.04065300   -0.78432000   -2.75605500
Se                -0.00663900   -0.00871800   -0.85236100
C                 -1.60558200    2.90813000   -0.52467700
C                  1.35085100    2.70105700    0.55681400
C                 -1.00268400    1.23525900    2.08484700
C                  2.08812100    2.77302500   -0.79530000
H                  3.09604000    3.14761000   -0.60482600
H                  2.17357900    1.79532400   -1.26103100
H                  1.61938600    3.44608100   -1.50479300
C                  2.25598100    1.89954800    1.50943700
H                  2.37813200    0.86899200    1.18068700
H                  3.24455000    2.36320500    1.50627700
H                  1.90201700    1.90695700    2.53676600
C                  1.19290800    4.13121800    1.10145700
H                  2.19311700    4.54891000    1.24061500
H                  0.66865000    4.78392800    0.40782500
H                  0.68851200    4.17226600    2.06278600
C                 -0.93053600    3.60072300   -1.72223900
H                 -1.71017500    4.09400300   -2.30687300
H                 -0.22157300    4.36738900   -1.42195100
H                 -0.43043500    2.88512800   -2.37407700
C                 -2.19616200    3.98395600    0.40396800
H                 -1.43883600    4.60619200    0.87362200
H                 -2.82613700    4.64081500   -0.20071000
H                 -2.82811500    3.56293300    1.18209100
C                 -2.75588300    2.06746300   -1.11148500
H                 -3.46209000    2.75485700   -1.58286300
H                 -2.39117600    1.38868300   -1.87924000
H                 -3.30548800    1.49674100   -0.37093500
C                 -0.90529600    2.34756900    3.14335000
H                 -1.40173900    3.26796400    2.84796000
H                 -1.39628100    1.99083900    4.05194400
H                  0.12417300    2.57829200    3.40706200
C                 -0.24045800   -0.00187900    2.59725000
H                  0.82160200    0.16431700    2.73958200
H                 -0.66142500   -0.27113000    3.56866600
H                 -0.37501900   -0.85018600    1.93246600
C                 -2.47308400    0.80078200    1.94478400
H                 -2.78755900    0.37095300    2.89830600
H                 -3.14447900    1.62682000    1.72807400
H                 -2.59563400    0.02960600    1.18633100

61
nBu3PSe in solution 4 CF3H
P                 -0.58755200    0.26290100    1.11923900
C                  0.54384000   -3.70389900   -0.58758400
H                 -0.07421700   -2.84148400   -0.83667800
C                 -4.00579700    0.30947800   -1.62371000
H                 -2.92948400    0.44775000   -1.73423400
C                  3.50424300   -0.98225800   -1.43850700
H                  2.42249300   -1.10235000   -1.39263500
C                  2.10134100    3.13258300   -0.84138700
H                  1.82078800    2.11531800   -1.11343100
F                  1.72259500   -3.64282500   -1.23554100
F                 -4.29924200   -0.98817800   -1.41908900
F                 -4.46882100    1.00505300   -0.56461400
F                  0.80390200   -3.73531600    0.73499600
F                  4.10995600   -1.67749000   -0.45994300
F                  3.83831500    0.31619400   -1.28860500
F                  2.44797600    3.19828400    0.46023300
F                  3.14111100    3.57204800   -1.56882200
F                  1.07063700    3.97666000   -1.03230000
F                  3.99540900   -1.40251700   -2.61537500
F                 -0.05538200   -4.85875400   -0.91835000
F                 -4.67440600    0.72165400   -2.71286200
Se                -0.19845500    0.04053600   -0.98865900
C                 -2.15486800   -0.51714200    1.64634400
H                 -2.96157900    0.08523600    1.22478300
H                 -2.20369000   -0.40273200    2.73353900
C                  0.71084300   -0.48790300    2.16251500
H                  0.73346000   -1.54755100    1.90132100
H                  0.36792700   -0.41426800    3.19890600
C                 -0.70537800    2.00778200    1.64625900
H                 -0.95992800    1.99296600    2.71070700
H                  0.30051000    2.42268500    1.56168400
C                 -1.69587500    2.86272100    0.85447000
H                 -1.45464400    2.79913300   -0.20941100
H                 -2.71015700    2.47104300    0.96894600
C                  2.10181900    0.12958300    2.00500000
H                  2.35275400    0.20543800    0.94488100
H                  2.10222600    1.15092300    2.39331900
C                 -2.32001900   -1.98230200    1.24226300
H                 -2.23227400   -2.06529300    0.15615500
H                 -1.51500600   -2.58437800    1.67274100
C                 -1.66757400    4.32748700    1.29278300
H                 -0.65017000    4.71362000    1.17815400
H                 -1.90630700    4.39250000    2.35921000
C                 -2.63838100    5.19247900    0.49226700
H                 -2.60479900    6.23348900    0.81905000
H                 -2.39520000    5.16777600   -0.57284500
H                 -3.66598000    4.83827400    0.60649700
C                  3.18094400   -0.68287000    2.72127600
H                  3.20219600   -1.69355000    2.30258200
H                  2.91251500   -0.78964200    3.77721400
C                  4.56360500   -0.04620800    2.60081900
H                  5.32058200   -0.64446400    3.11138100
H                  4.85963600    0.04658600    1.55393000
H                  4.57400000    0.95418200    3.04068100
C                 -3.66731500   -2.55702900    1.68028000
H                 -4.46987200   -1.94710100    1.25506100
H                 -3.75923200   -2.47811000    2.76813400
C                 -3.84270800   -4.01147500    1.24977900
H                 -4.80783000   -4.40719500    1.57126600
H                 -3.78743200   -4.10549000    0.16245500
H                 -3.06131800   -4.64453100    1.67770900

55
Ph3PSe in solution 4 CF3H
P                  0.24477100    1.12916200    0.22178100
C                 -2.53188800   -2.08372100    0.97514800
H                 -2.42504800   -1.11857800    0.48567800
C                 -3.97040900    0.07044000   -2.25229900
H                 -2.89238500    0.04989800   -2.41244800
C                  0.95364100   -3.77642700   -0.40075500
H                  0.27360900   -2.98336700   -0.71031000
C                  3.69758500   -0.74959600   -1.40575700
H                  2.70389300   -0.91477900   -0.99460300
F                 -2.27380900   -3.08506100    0.11282000
F                 -4.30261200   -0.68109100   -1.18408300
F                 -4.39493500    1.32648000   -2.01746100
F                 -1.67055000   -2.19559700    2.00430600
F                  0.83905800   -4.02003800    0.91784600
F                  2.23147200   -3.42434100   -0.64385800
F                  4.65095700   -1.23290600   -0.59040700
F                  3.82660800   -1.35343100   -2.60038000
C                 -1.20957400    1.33575300    1.29583300
C                 -1.15518300    1.12614100    2.67367800
C                 -2.41928700    1.70698800    0.69924300
C                 -2.30533200    1.27232500    3.44356900
H                 -0.22715200    0.84207100    3.14941300
C                 -3.56158000    1.85366000    1.47108200
H                 -2.46786500    1.87356900   -0.36851700
C                 -3.50676400    1.63178700    2.84561400
H                 -2.25884300    1.09926300    4.51079700
H                 -4.49444900    2.13253600    0.99915500
H                 -4.40064900    1.73755000    3.44656100
C                  1.59392800    0.49455900    1.26521600
C                  2.69915500    1.28174300    1.59167400
C                  1.52744300   -0.82628200    1.72177000
C                  3.72724100    0.74950000    2.36317400
H                  2.76877800    2.30151000    1.24051300
C                  2.55274900   -1.34965300    2.49477100
H                  0.67680800   -1.44493600    1.47354200
C                  3.65629900   -0.56256400    2.81466400
H                  4.58600400    1.36243000    2.60386200
H                  2.49349500   -2.37404500    2.83789700
H                  4.46107100   -0.97516400    3.40918900
C                  0.73240700    2.80645400   -0.28479700
C                  1.46399900    2.99021100   -1.45950800
C                  0.42962400    3.90501800    0.52403800
C                  1.89069400    4.26184200   -1.81957700
H                  1.69547000    2.14136000   -2.08868100
C                  0.85538300    5.17570200    0.15600900
H                 -0.13819800    3.77441400    1.43550100
C                  1.58617100    5.35510300   -1.01398400
H                  2.45783700    4.39868500   -2.73110100
H                  0.61355000    6.02419600    0.78278400
H                  1.91507700    6.34608200   -1.29958100
F                  3.92893500    0.56564300   -1.58000100
F                  0.70585500   -4.91992600   -1.05872800
F                 -3.77430100   -2.25529300    1.45350800
F                 -4.63725000   -0.40280300   -3.31619400
Se                -0.15927200   -0.17996400   -1.43428000

48
MePh2PSe in solution 4 CF3H 
P                 -0.59441300    0.23660700    0.92401300
C                 -3.88298700    2.30861100   -0.99800100
H                 -2.84311100    2.12686800   -1.27253000
C                  0.14124800   -2.90334000   -2.09185000
H                 -0.14060400   -1.84981400   -2.08655400
C                  2.43835600    3.42515000    0.11456700
H                  2.13106400    2.51077600   -0.39070700
F                 -4.32027400    3.48441500   -1.47990500
F                 -4.68312200    1.33902400   -1.47588100
F                  0.00095900   -3.44640400   -3.31169400
F                 -0.61992000   -3.60749600   -1.23243300
F                  2.09132300    3.38214400    1.42058500
F                  3.76755500    3.60306900    0.05104800
C                 -2.03677400   -0.85686000    1.11527200
C                 -2.33416200   -1.37116800    2.38245000
C                 -2.85653600   -1.17024500    0.03404300
C                 -3.44295200   -2.18642000    2.55851600
H                 -1.69773700   -1.14890800    3.22976700
C                 -3.96805700   -1.98604900    0.21504700
H                 -2.62546800   -0.77694200   -0.94687900
C                 -4.26196500   -2.49404800    1.47445600
H                 -3.66700800   -2.58341600    3.54007900
H                 -4.60119400   -2.22349600   -0.62981200
H                 -5.12614900   -3.13072400    1.61412300
C                  0.81411600   -0.67589600    1.62076400
C                  0.88824900   -2.06373100    1.47079100
C                  1.87956600    0.01108800    2.20934900
C                  2.01365300   -2.75300700    1.90376200
H                  0.07238000   -2.60774000    1.01498900
C                  3.00082800   -0.68457200    2.64421700
H                  1.85067200    1.08581500    2.32109000
C                  3.07105500   -2.06543400    2.49051500
H                  2.06451000   -3.82650700    1.77777100
H                  3.82244300   -0.14480200    3.09649100
H                  3.94932800   -2.60326300    2.82285800
F                  1.84515900    4.49999200   -0.42997200
F                  1.42717100   -3.05019900   -1.71595100
F                 -4.02014400    2.33369300    0.34285600
Se                -0.21713600    0.86116800   -1.09565100
C                 -0.91305500    1.64226200    2.02938400
H                 -1.04401700    1.29614900    3.05436100
H                 -0.08694400    2.34759600    1.97561500
H                 -1.82373600    2.13046000    1.68591000
C                  3.32223200   -0.59464100   -1.08678200
H                  2.37046000   -0.84598600   -0.62521300
F                  3.20487500   -0.52802100   -2.42322400
F                  4.26218400   -1.51002600   -0.79617500
F                  3.76168400    0.60257800   -0.65019100