67
PBC_singlet
 C                  2.19485500    3.58777100   -1.30412000
 C                  1.87445300    2.09425300   -1.33407700
 C                  1.16531000    1.61720300   -0.06192900
 C                  1.97611000    2.00926000    1.18178800
 C                  2.29920700    3.50455100    1.20614100
 C                  3.01818400    3.94072100   -0.06783900
 B                  0.72020400    0.02528600   -0.17381900
 C                  1.85389700   -1.02153500   -0.73362200
 C                  1.33318500   -2.46571600   -0.76523000
 C                  2.31527300   -3.44620000   -1.40372400
 C                  3.66956500   -3.39642500   -0.70255600
 C                  4.21669000   -1.97239800   -0.69334000
 C                  3.22784600   -0.99818000   -0.04990800
 C                 -0.04284500   -0.45302800    1.21734400
 C                  0.59278300   -0.80364200    2.41609600
 C                 -0.12172100   -1.19069100    3.53952800
 C                 -1.51340100   -1.24446900    3.52334100
 C                 -2.18730500   -0.89697500    2.36669900
 C                 -1.44960700   -0.50800800    1.25021100
 P                 -2.12434200   -0.02009900   -0.34011000
 C                 -3.33556400   -1.24496500   -0.96583600
 C                 -3.86395300   -0.85292100   -2.34572300
 C                 -2.90025500    1.64579700   -0.21178600
 C                 -4.31773500    1.58017600    0.35093700
 C                 -2.80807300    2.42825500   -1.52068400
 C                 -2.68113500   -2.62596000   -0.99913400
 H                  0.23549000    2.20817700    0.00854300
 H                 -3.27003900   -0.94158500    2.33423000
 H                  1.67297500   -0.77018900    2.47023900
 H                  4.40211100   -1.65618300   -1.72537600
 H                  5.17705800   -1.93772600   -0.17425900
 H                  1.12468900   -2.79324400    0.26109500
 H                  0.37918600   -2.49996400   -1.29806200
 H                 -2.25084900    2.13113900    0.52164200
 H                  1.91347100   -4.46195600   -1.38184000
 H                  2.45110600   -3.18037700   -2.45735300
 H                  1.42368300    1.74243300    2.08515900
 H                  2.91380700    1.44738400    1.21613100
 H                  3.64972700    0.00661300   -0.07727000
 H                  3.12371400   -1.26404300    1.00804600
 H                  0.40905900   -1.45903900    4.44406600
 H                  2.80999900    1.53807700   -1.45737000
 H                  1.26060200    1.85480700   -2.20822300
 H                  2.03126700   -0.73087800   -1.77991900
 H                 -4.15480700   -1.24585500   -0.24077000
 H                 -2.05998000   -1.55498200    4.40301300
 H                 -3.41705900    1.98270900   -2.30645800
 H                 -1.77815300    2.48137100   -1.87385300
 H                 -3.16711600    3.44505400   -1.35790100
 H                 -3.43037400   -3.37524400   -1.25508400
 H                 -2.23307100   -2.89244000   -0.04260400
 H                 -1.89835300   -2.65283500   -1.75747600
 H                  3.54890900   -3.73918500    0.33074000
 H                  4.37646900   -4.07677100   -1.18149200
 H                  2.90056300    3.74993900    2.08423100
 H                  1.36428200    4.06875000    1.29504900
 H                 -4.68678900    2.59025400    0.53010200
 H                 -4.35430500    1.04083600    1.29804600
 H                 -5.00262500    1.09814100   -0.34775900
 H                 -3.03740400   -0.70051800   -3.04283200
 H                 -4.46552200    0.05359000   -2.32124600
 H                 -4.48666100   -1.65770700   -2.73723700
 H                  3.98386400    3.42721900   -0.12609900
 H                  3.23034600    5.01131700   -0.04019600
 H                  2.72460100    3.88617700   -2.21143900
 H                  1.25821700    4.15612300   -1.28125800
 C                 -0.58376000    0.02073900   -1.16528000
67
PBC_triplet
 C                  2.19485500    3.58777100   -1.30412000
 C                  1.87445300    2.09425300   -1.33407700
 C                  1.16531000    1.61720300   -0.06192900
 C                  1.97611000    2.00926000    1.18178800
 C                  2.29920700    3.50455100    1.20614100
 C                  3.01818400    3.94072100   -0.06783900
 B                  0.72020400    0.02528600   -0.17381900
 C                  1.85389700   -1.02153500   -0.73362200
 C                  1.33318500   -2.46571600   -0.76523000
 C                  2.31527300   -3.44620000   -1.40372400
 C                  3.66956500   -3.39642500   -0.70255600
 C                  4.21669000   -1.97239800   -0.69334000
 C                  3.22784600   -0.99818000   -0.04990800
 C                 -0.04284500   -0.45302800    1.21734400
 C                  0.59278300   -0.80364200    2.41609600
 C                 -0.12172100   -1.19069100    3.53952800
 C                 -1.51340100   -1.24446900    3.52334100
 C                 -2.18730500   -0.89697500    2.36669900
 C                 -1.44960700   -0.50800800    1.25021100
 P                 -2.12434200   -0.02009900   -0.34011000
 C                 -3.33556400   -1.24496500   -0.96583600
 C                 -3.86395300   -0.85292100   -2.34572300
 C                 -2.90025500    1.64579700   -0.21178600
 C                 -4.31773500    1.58017600    0.35093700
 C                 -2.80807300    2.42825500   -1.52068400
 C                 -2.68113500   -2.62596000   -0.99913400
 H                  0.23549000    2.20817700    0.00854300
 H                 -3.27003900   -0.94158500    2.33423000
 H                  1.67297500   -0.77018900    2.47023900
 H                  4.40211100   -1.65618300   -1.72537600
 H                  5.17705800   -1.93772600   -0.17425900
 H                  1.12468900   -2.79324400    0.26109500
 H                  0.37918600   -2.49996400   -1.29806200
 H                 -2.25084900    2.13113900    0.52164200
 H                  1.91347100   -4.46195600   -1.38184000
 H                  2.45110600   -3.18037700   -2.45735300
 H                  1.42368300    1.74243300    2.08515900
 H                  2.91380700    1.44738400    1.21613100
 H                  3.64972700    0.00661300   -0.07727000
 H                  3.12371400   -1.26404300    1.00804600
 H                  0.40905900   -1.45903900    4.44406600
 H                  2.80999900    1.53807700   -1.45737000
 H                  1.26060200    1.85480700   -2.20822300
 H                  2.03126700   -0.73087800   -1.77991900
 H                 -4.15480700   -1.24585500   -0.24077000
 H                 -2.05998000   -1.55498200    4.40301300
 H                 -3.41705900    1.98270900   -2.30645800
 H                 -1.77815300    2.48137100   -1.87385300
 H                 -3.16711600    3.44505400   -1.35790100
 H                 -3.43037400   -3.37524400   -1.25508400
 H                 -2.23307100   -2.89244000   -0.04260400
 H                 -1.89835300   -2.65283500   -1.75747600
 H                  3.54890900   -3.73918500    0.33074000
 H                  4.37646900   -4.07677100   -1.18149200
 H                  2.90056300    3.74993900    2.08423100
 H                  1.36428200    4.06875000    1.29504900
 H                 -4.68678900    2.59025400    0.53010200
 H                 -4.35430500    1.04083600    1.29804600
 H                 -5.00262500    1.09814100   -0.34775900
 H                 -3.03740400   -0.70051800   -3.04283200
 H                 -4.46552200    0.05359000   -2.32124600
 H                 -4.48666100   -1.65770700   -2.73723700
 H                  3.98386400    3.42721900   -0.12609900
 H                  3.23034600    5.01131700   -0.04019600
 H                  2.72460100    3.88617700   -2.21143900
 H                  1.25821700    4.15612300   -1.28125800
 C                 -0.58376000    0.02073900   -1.16528000
67
iPr2P(C6H4)BCy{CCy}
 C                  0.83740400    3.99983800   -1.26066700
 C                  0.62585400    2.48795500   -1.22771800
 C                 -0.02869800    2.02380500    0.08337500
 C                  0.79797000    2.51912600    1.28055100
 C                  1.00103300    4.03192800    1.24724700
 C                  1.65604800    4.46887100   -0.06068100
 B                  0.71782800   -0.59555700    0.11494100
 C                  2.30413500   -0.46510400    0.06895600
 C                  2.90297700   -1.11571300   -1.19102400
 C                  4.42379900   -0.97623800   -1.23557700
 C                  5.06490400   -1.54946400    0.02622800
 C                  4.49897900   -0.88444100    1.27887800
 C                  2.97820500   -1.01974400    1.33571500
 C                 -0.01677000   -2.02548600    0.13053600
 C                  0.50558600   -3.31746400    0.15532500
 C                 -0.32905100   -4.43183800    0.13133600
 C                 -1.70682900   -4.28713100    0.07131600
 C                 -2.26218900   -3.01125200    0.04655100
 C                 -1.41679700   -1.91681900    0.08928700
 P                 -1.84394600   -0.16742200    0.06341100
 C                 -2.83642600    0.11433300   -1.46931100
 C                 -3.21996900    1.58427400   -1.63787200
 C                 -2.94876400    0.17156600    1.51149200
 C                 -4.39802400   -0.25630700    1.29289000
 C                 -2.86221300    1.61683500    2.00109300
 C                 -2.05331700   -0.38829600   -2.68058100
 H                 -0.98914700    2.55375900    0.14406600
 H                 -3.33675200   -2.89389200   -0.01727300
 H                  1.57602600   -3.47070500    0.19008200
 H                  4.76141400    0.17865300    1.26603700
 H                  4.95400900   -1.31233400    2.17438700
 H                  2.64379400   -2.17793300   -1.22489900
 H                  2.45731000   -0.66531900   -2.08212500
 H                 -2.50223000   -0.46820300    2.27763800
 H                  4.82631900   -1.46842000   -2.12317000
 H                  4.68287300    0.08471600   -1.31535500
 H                  0.31267500    2.21471100    2.20991600
 H                  1.77055700    2.02102500    1.27088400
 H                  2.58734700   -0.50179500    2.21527100
 H                  2.72013800   -2.07555500    1.46391200
 H                  0.10221800   -5.42426300    0.15200000
 H                  1.58630800    1.97648300   -1.33999900
 H                  0.01024100    2.17074400   -2.07269200
 H                  2.58021100    0.59319800    0.01609000
 H                 -3.74234100   -0.48744600   -1.35424100
 H                 -2.34663700   -5.15841000    0.04177500
 H                 -3.27018100    2.31920200    1.27391100
 H                 -1.83461700    1.90325900    2.21400700
 H                 -3.44238100    1.72038200    2.91932400
 H                 -2.63534100   -0.22095500   -3.58768200
 H                 -1.82837100   -1.45123000   -2.60533100
 H                 -1.10868200    0.14859700   -2.77308500
 H                  4.86329000   -2.62534300    0.07139800
 H                  6.14951100   -1.43325100   -0.01034700
 H                  1.60258800    4.35173200    2.09976000
 H                  0.02890100    4.52834000    1.34253200
 H                 -4.95366600   -0.15133100    2.22566900
 H                 -4.48195300   -1.29415000    0.97377400
 H                 -4.88722700    0.37191600    0.54728200
 H                 -2.32783100    2.20812600   -1.71280700
 H                 -3.82848700    1.95609600   -0.81454900
 H                 -3.79113100    1.71143500   -2.55845600
 H                  2.65831300    4.03231900   -0.12017700
 H                  1.77970900    5.55280100   -0.08319100
 H                  1.32344200    4.29399900   -2.19247200
 H                 -0.13804800    4.49882000   -1.24222500
 C                 -0.26153200    0.52332400    0.11507000
134
cis-PB{C2}
 P                  1.87735900   -1.81087600    0.51033700
 C                  1.49833800   -2.05111600    2.32029300
 H                  1.15689300   -1.03827700    2.58446000
 C                  2.71725000   -2.38824600    3.17582700
 H                  3.49071900   -1.61265400    3.11553300
 H                  2.39528600   -2.46690400    4.22585800
 H                  3.15940000   -3.35902400    2.89756800
 C                  0.35081600   -3.02170300    2.57943200
 H                 -0.43515300   -2.92890000    1.81891300
 H                  0.70238500   -4.06294400    2.60620500
 H                 -0.10828400   -2.80105900    3.55582100
 C                  2.50706600   -3.47819600   -0.17071300
 H                  3.32231500   -3.59925700    0.56297600
 C                  3.15587700   -3.34420300   -1.55209300
 H                  3.84816600   -2.49633000   -1.61191200
 H                  3.72414200   -4.26535400   -1.75341400
 H                  2.40713000   -3.23539400   -2.34856800
 C                  1.66316500   -4.74406400   -0.10038500
 H                  1.25555500   -4.93708500    0.89700800
 H                  0.84301700   -4.73459300   -0.82542900
 H                  2.31301500   -5.59455300   -0.35915700
 C                  3.44204500   -0.92058000    0.37195000
 C                  3.28219400    0.26555600   -0.33951500
 C                  4.46946700    0.90061600   -0.76715800
 H                  4.39948000    1.81228000   -1.36415900
 C                  5.72172200    0.40374400   -0.43994200
 H                  6.61964500    0.92330100   -0.77938600
 C                  5.84558500   -0.76037200    0.33365000
 H                  6.82998400   -1.13958700    0.60939600
 C                  4.70342600   -1.43864600    0.72572900
 H                  4.80484500   -2.36446200    1.29549200
 C                  1.72461700    2.28672800    0.27176300
 H                  0.69420300    2.43479500    0.61994700
 C                  2.61646800    2.30341600    1.53464300
 H                  2.40971400    1.42820100    2.17441400
 H                  3.67366000    2.20014800    1.23678800
 C                  2.50944500    3.59509100    2.34999000
 H                  1.48507000    3.72184500    2.74066100
 H                  3.17700900    3.54703700    3.22584100
 C                  2.85526400    4.80246000    1.48108800
 H                  3.91052000    4.72853000    1.16098100
 H                  2.75999800    5.73765600    2.05501500
 C                  1.95634300    4.83317100    0.24749800
 H                  2.19645500    5.70248000   -0.38591100
 H                  0.91038600    4.95975100    0.58013300
 C                  2.06420000    3.53730200   -0.56276200
 H                  3.09500900    3.46220400   -0.95729400
 H                  1.40650100    3.60673100   -1.44299500
 C                  1.63959000    0.97050800   -2.24456300
 H                  2.40396500    1.72053500   -2.53921100
 C                  0.30304600    1.46390500   -2.79051400
 H                 -0.49568900    0.80985000   -2.40262300
 H                  0.07860600    2.45919200   -2.39345300
 C                  0.21380600    1.51709700   -4.31734500
 H                 -0.79283700    1.84584900   -4.62417800
 H                  0.92351100    2.27575600   -4.69408200
 C                  0.55889400    0.17179100   -4.94989600
 H                  0.51482000    0.22885800   -6.04882400
 H                 -0.19527000   -0.57960100   -4.64343100
 C                  1.93963300   -0.28128300   -4.48241800
 H                  2.69312100    0.43536400   -4.85502400
 H                  2.19703500   -1.26225700   -4.91753400
 C                  2.01920300   -0.33918200   -2.95587400
 H                  3.03234300   -0.65096100   -2.66176000
 H                  1.33531000   -1.13335000   -2.60459000
 B                  1.79468000    0.85668800   -0.58745300
 C                  0.68504400   -0.43193600   -0.03977000
 H                 -2.19676000   -1.26105200    4.91822500
 H                 -0.51480000    0.23067500    6.04907400
 C                 -1.93952700   -0.28016700    4.48281200
 C                 -0.55886400    0.17329100    4.95016200
 H                  0.19543000   -0.57805500    4.64390000
 H                 -2.69313900    0.43646500    4.85519400
 H                 -3.72406200   -4.26454600    1.75467600
 C                 -3.15575800   -3.34350400    1.55296700
 H                 -2.40694800   -3.23442200    2.34935100
 C                 -2.01905600   -0.33854300    2.95628200
 H                 -3.84800200   -2.49556600    1.61248700
 H                 -3.03211700   -0.65063200    2.66222700
 H                 -1.33497800   -1.13265700    2.60526000
 C                 -0.21402600    1.51847100    4.31722400
 H                 -2.31314300   -5.59436700    0.36063500
 H                 -0.92387200    2.27711000    4.69373600
 H                  0.79255400    1.84750200    4.62396800
 C                 -1.66315200   -4.74399900    0.10181800
 C                 -2.50700400   -3.47807000    0.17162200
 H                 -0.84326200   -4.73441000    0.82714200
 C                 -1.63968400    0.97100200    2.24457600
 C                 -0.30324600    1.46481000    2.79041100
 H                 -3.32226300   -3.59936100   -0.56202500
 H                 -2.40419900    1.72097500    2.53899700
 H                  0.49561200    0.81076500    2.40272800
 H                 -1.25527400   -4.93730300   -0.89540700
 C                 -5.84545200   -0.76059300   -0.33398100
 C                 -5.72173000    0.40336200    0.43987100
 C                 -4.70322100   -1.43876900   -0.72603500
 C                 -4.46953200    0.90022100    0.76735600
 H                 -6.82980800   -1.13977600   -0.60993000
 C                 -3.44191500   -0.92070800   -0.37201600
 H                 -6.61972100    0.92280100    0.77932100
 C                 -3.28219300    0.26531100    0.33969100
 P                 -1.87721100   -1.81102200   -0.51001200
 C                 -0.68505400   -0.43205200    0.04008000
 B                 -1.79471200    0.85658000    0.58752600
 H                 -4.80452300   -2.36450200   -1.29595000
 H                 -4.39965000    1.81173800    1.36459600
 H                 -0.07901100    2.46002600    2.39306800
 H                 -3.15892700   -3.35989900   -2.89692200
 H                 -1.40695900    3.60696400    1.44189500
 H                 -3.49017000   -1.61358900   -3.11549900
 C                 -2.71671400   -2.38922100   -3.17543300
 C                 -1.49792600   -2.05184400   -2.31981900
 C                 -1.72480000    2.28625300   -0.27233600
 H                 -0.70186700   -4.06373100   -2.60505400
 C                 -2.06462300    3.53709600    0.56166800
 H                 -0.69438500    2.43430100   -0.62053900
 H                 -3.09544000    3.46194500    0.95617900
 C                 -0.35034600   -3.02246800   -2.57852600
 H                  0.43549600   -2.92941800   -1.81791500
 H                 -1.15644400   -1.03909400   -2.58425100
 H                 -2.39459400   -2.46822400   -4.22538900
 C                 -2.61656300    2.30226300   -1.53527600
 H                 -2.40959900    1.42682600   -2.17468200
 H                 -3.67376400    2.19892500   -1.23746200
 C                 -1.95696200    4.83266400   -0.24910200
 H                  0.10887400   -2.80206900   -3.55491500
 H                 -0.91100600    4.95932600   -0.58170900
 H                 -2.19729800    5.70217900    0.38394000
 C                 -2.50968400    3.59362300   -2.35113900
 C                 -2.85578200    4.80128100   -1.48274900
 H                 -1.48528800    3.72038200   -2.74175700
 H                 -3.91104900    4.72728700   -1.16269200
 H                 -3.17715600    3.54511000   -3.22703200
 H                 -2.76064200    5.73626300   -2.05704700
134
trans-PB{C2}
 P                 -0.55341400   -2.21423100   -0.62851500
 C                 -0.60758400   -2.19993900   -2.49085300
 H                 -1.45418000   -1.53136200   -2.64517000
 C                 -0.97383200   -3.55368000   -3.09591900
 H                 -1.86712800   -3.98312900   -2.64522100
 H                 -1.17308900   -3.41587500   -4.15940600
 H                 -0.15235500   -4.26626300   -3.01068700
 C                  0.60661100   -1.60135300   -3.18240100
 H                  0.92945700   -0.68461800   -2.69901600
 H                  1.44503800   -2.29453600   -3.18966100
 H                  0.35224200   -1.37489000   -4.21949300
 C                  0.29378200   -3.82957700   -0.18423200
 H                 -0.37482800   -4.42771700   -0.80676100
 C                  0.08251100   -4.29330000    1.26177800
 H                 -0.75284800   -3.79733200    1.75365400
 H                 -0.12303200   -5.36505900    1.26037100
 H                  0.97411700   -4.12898500    1.85782200
 C                  1.69202200   -4.14823200   -0.68990500
 H                  1.82793000   -3.89104300   -1.73924200
 H                  2.46540000   -3.64909200   -0.11623700
 H                  1.84620500   -5.22489300   -0.58759000
 C                 -2.24874700   -2.63643700   -0.18240800
 C                 -2.98718000   -1.50706900    0.14575300
 C                 -4.32352500   -1.72188500    0.52201400
 H                 -4.93390400   -0.88207300    0.82406100
 C                 -4.88256000   -2.98387000    0.54416100
 H                 -5.91578500   -3.11236800    0.84008800
 C                 -4.11795700   -4.09812400    0.20252900
 H                 -4.54868000   -5.08953300    0.22719700
 C                 -2.79668400   -3.92594500   -0.15329200
 H                 -2.21014000   -4.80309800   -0.39089400
 C                 -3.02866400    0.98854100   -0.84982900
 H                 -2.31921000    1.76457400   -1.15965600
 C                 -3.54694900    0.31877100   -2.13825300
 H                 -2.74389700   -0.19259700   -2.66645100
 H                 -4.26026500   -0.46329600   -1.86045800
 C                 -4.24982700    1.26969400   -3.10824800
 H                 -3.54769100    2.03182900   -3.46107700
 H                 -4.58662200    0.72178900   -3.99105900
 C                 -5.42415200    1.96505900   -2.43150900
 H                 -6.17209900    1.21572700   -2.15273100
 H                 -5.91039200    2.66198000   -3.11658100
 C                 -4.94432500    2.68491500   -1.17757200
 H                 -5.78344100    3.16218400   -0.66678400
 H                 -4.26091000    3.48661400   -1.47476200
 C                 -4.23414700    1.72318700   -0.22106100
 H                 -4.97284000    0.98278800    0.09818800
 H                 -3.95067200    2.25950900    0.68388600
 C                 -2.37771500    0.38787500    1.77789100
 H                 -3.46351200    0.48396800    1.92913400
 C                 -1.77576300    1.74075300    2.12977800
 H                 -0.69037700    1.69969400    2.00263400
 H                 -2.13419700    2.49080700    1.42966500
 C                 -2.09119200    2.18167400    3.56062400
 H                 -1.62073000    3.14251900    3.78571300
 H                 -3.17298900    2.32908200    3.65120900
 C                 -1.64462400    1.13272600    4.57564700
 H                 -1.92329300    1.43803300    5.58600900
 H                 -0.55218500    1.06048600    4.55756000
 C                 -2.24025600   -0.23242800    4.24280200
 H                 -3.32859700   -0.18682000    4.35716000
 H                 -1.88039400   -0.98295600    4.95084400
 C                 -1.90887700   -0.64620900    2.80909600
 H                 -2.34808600   -1.62505800    2.60341300
 H                 -0.82613300   -0.76199000    2.72571400
 B                 -2.25450700   -0.06555000    0.18965100
 C                 -0.56541100   -0.37388500   -0.18633000
 H                  1.87996900    0.98068900    4.95141400
 H                  1.92305000   -1.44058000    5.58547700
 C                  2.23994500    0.23051700    4.24305100
 C                  1.64441300   -1.13483900    4.57523800
 H                  0.55197000   -1.06268400    4.55712400
 H                  3.32828300    0.18495700    4.35745700
 H                  0.12255500    5.36459900    1.26181100
 C                 -0.08277400    4.29279900    1.26283900
 H                 -0.97437500    4.12809800    1.85877700
 C                  1.90861500    0.64491700    2.80951200
 H                  0.75266300    3.79682900    1.75458300
 H                  2.34773200    1.62390600    2.60430100
 H                  0.82586400    0.76061400    2.72610800
 C                  2.09113200   -2.18328600    3.55976100
 H                 -1.84625800    5.22491900   -0.58652600
 H                  3.17293800   -2.33064500    3.65034800
 H                  1.62073800   -3.14427200    3.78438100
 C                 -1.69201400    4.14829500   -0.68913800
 C                 -0.29383800    3.82953800   -0.18334500
 H                 -2.46546800    3.64894800   -0.11574700
 C                  2.37762200   -0.38864700    1.77786600
 C                  1.77576000   -1.74173700    2.12909400
 H                  0.37483500    4.42791200   -0.80558000
 H                  3.46341500   -0.48472300    1.92916200
 H                  0.69037700   -1.70070700    2.00191000
 H                 -1.82774100    3.89141500   -1.73857300
 C                  4.11779300    4.09820000    0.20413000
 C                  4.88232100    2.98391300    0.54583500
 C                  2.79662700    3.92604300   -0.15209100
 C                  4.32332500    1.72191800    0.52333100
 H                  4.54848400    5.08961500    0.22906900
 C                  2.24873200    2.63652400   -0.18156500
 H                  5.91545400    3.11239400    0.84209100
 C                  2.98710200    1.50712300    0.14662100
 P                  0.55348000    2.21437400   -0.62803100
 C                  0.56544100    0.37399600   -0.18621300
 B                  2.25451500    0.06553500    0.18984900
 H                  2.21012100    4.80322300   -0.38969500
 H                  4.93363500    0.88207600    0.82543100
 H                  2.13430200   -2.49144200    1.42866000
 H                  0.15232500    4.26702600   -3.00956800
 H                  3.95082100   -2.25959700    0.68306100
 H                  1.86713500    3.98394000   -2.64424100
 C                  0.97386400    3.55454300   -3.09503600
 C                  0.60775100    2.20058900   -2.49036300
 C                  3.02880700   -0.98798700   -0.85010600
 H                 -1.44484400    2.29516400   -3.18926400
 C                  4.23431000   -1.72283100   -0.22161900
 H                  2.31942100   -1.76392100   -1.16034700
 H                  4.97292100   -0.98251700    0.09801400
 C                 -0.60635400    1.60205400   -3.18212600
 H                 -0.92914800    0.68517100   -2.69898300
 H                  1.45443100    1.53215400   -2.64482700
 H                  1.17310300    3.41706700   -4.15856900
 C                  3.54712400   -0.31756300   -2.13817600
 H                  2.74407500    0.19402400   -2.66615900
 H                  4.26039500    0.46440100   -1.85997800
 C                  4.94461700   -2.68405600   -1.17854400
 H                 -0.35191000    1.37586500   -4.21925800
 H                  4.26129000   -3.48568300   -1.47613400
 H                  5.78375500   -3.16148200   -0.66793900
 C                  4.25009000   -1.26798600   -3.10859300
 C                  5.42443500   -1.96358400   -2.43213200
 H                  3.54801500   -2.03000200   -3.46179800
 H                  6.17232000   -1.21432700   -2.15298500
 H                  4.58688300   -0.71965100   -3.99114000
 H                  5.91074700   -2.66015700   -3.11750600
78
iPr2PCH2(C6H4)BMes2{CH2}
 P                  2.12690600   -0.74300600   -0.65493300
 C                  2.16275700   -1.19572000    1.10702500
 C                  2.99248700    0.86591800   -0.82417300
 C                  3.07563400   -2.05803400   -1.52243800
 B                 -0.60856600   -0.25899900    0.11768600
 C                  0.92824500   -1.97180300    1.51112900
 H                  3.07111400   -1.76668900    1.30463000
 H                  2.23293900   -0.25716400    1.65849800
 C                  1.10956800   -3.10746800    2.29468900
 C                 -0.35797200   -1.51802000    1.15148500
 C                  0.02277800   -3.83139100    2.76003300
 H                  2.11473000   -3.42231700    2.55386900
 C                 -1.25324500   -3.40939600    2.42463400
 H                  0.17407800   -4.70925200    3.37346500
 C                 -1.42702100   -2.28190400    1.63168400
 H                 -2.11685500   -3.95957000    2.77511700
 H                 -2.43424200   -1.97859100    1.37378600
 C                  2.76308600    1.57515500   -2.15774100
 C                  4.48098900    0.71179400   -0.51216800
 H                  2.52580700    1.46990500   -0.04185800
 C                  2.48452100   -3.43577800   -1.21563200
 C                  3.14397300   -1.81651000   -3.02930700
 H                  4.08265000   -2.00942400   -1.09945500
 H                  4.93837100    1.69914900   -0.44826300
 H                  4.99743700    0.15860800   -1.29859600
 H                  4.65500900    0.20469100    0.43798600
 H                  1.70601900    1.65252800   -2.40360400
 H                  3.28343200    1.08488800   -2.97924700
 H                  3.14973800    2.59199900   -2.07697000
 H                  3.73489300   -0.93839000   -3.28015200
 H                  2.14448400   -1.69122100   -3.44998300
 H                  3.60294500   -2.67794400   -3.51532000
 H                  2.41679900   -3.63748000   -0.14804600
 H                  3.11407900   -4.20110100   -1.67022400
 H                  1.48399500   -3.53720800   -1.63716000
 C                 -0.04258200    1.25173700    0.55117500
 C                  0.57129600    1.61852300    1.76842300
 C                 -0.09288000    2.27976300   -0.43378500
 C                  1.25579800    2.83287500    1.90182800
 C                  1.31402800    3.76645500    0.88560100
 H                  1.73847500    3.05266500    2.84920900
 C                  0.58688300    3.48061600   -0.26359500
 H                  0.53916800    4.22536100   -1.05188400
 C                 -2.20795800   -0.16827100   -0.30326000
 C                 -3.08333500    0.56669600    0.52969400
 C                 -2.80754400   -0.76140900   -1.43698200
 C                 -4.41047000    0.79670200    0.17240100
 C                 -4.95532600    0.29936300   -0.99843000
 H                 -5.03827100    1.37435000    0.84312300
 C                 -4.13686600   -0.50773800   -1.77109500
 H                 -4.55040600   -0.97421500   -2.65916000
 C                  0.47756100    0.83571800    3.06294100
 H                  0.06158500   -0.15676200    2.96014800
 H                  1.45316400    0.75395800    3.54759400
 H                 -0.16637900    1.38879400    3.75073600
 C                 -0.95766500    2.20543400   -1.67554100
 H                 -1.99419000    2.42487200   -1.40867000
 H                 -0.63583500    2.94932700   -2.40486800
 H                 -0.98579400    1.23425100   -2.15664700
 C                  2.08499400    5.05024600    1.02099200
 H                  2.44828700    5.18580800    2.03849100
 H                  2.94818400    5.06348600    0.35226800
 H                  1.46462300    5.90912200    0.76324400
 C                 -2.66652100    1.10905000    1.87683000
 H                 -1.98591500    0.42969000    2.38511200
 H                 -2.16569600    2.07491300    1.79615700
 H                 -3.54534500    1.23838400    2.50811500
 C                 -2.09811200   -1.74325800   -2.34386100
 H                 -1.34365000   -1.27113000   -2.97441300
 H                 -1.61350400   -2.53237200   -1.76800100
 H                 -2.81954800   -2.21925200   -3.00599200
 C                 -6.37176100    0.60068000   -1.40189400
 H                 -6.99980500    0.78022800   -0.52986400
 H                 -6.41705600    1.49360800   -2.02879700
 H                 -6.80308800   -0.22191700   -1.97177100
 C                  0.42735400   -0.70975800   -1.17479100
 H                  0.37612200   -0.08701500   -2.06520600
 H                  0.22053800   -1.73307700   -1.47707300
 