19
DMAP
7       -2.664387000      0.000007000      0.020859000
7        1.550059000     -0.000004000     -0.087102000
6        0.178850000     -0.000008000     -0.039012000
6       -0.570648000     -1.193118000     -0.015110000
1       -0.092052000     -2.160779000     -0.014376000
6       -0.570626000      1.193101000     -0.015123000
1       -0.092027000      2.160762000     -0.014397000
6       -1.953416000     -1.129170000      0.010031000
1       -2.524007000     -2.053033000      0.025352000
6        2.278814000      1.248571000      0.032671000
1        1.981164000      1.955653000     -0.745288000
1        3.341646000      1.053004000     -0.088174000
1        2.127967000      1.731534000      1.006166000
6        2.278866000     -1.248554000      0.032638000
1        2.128115000     -1.731511000      1.006152000
1        3.341679000     -1.052948000     -0.088300000
1        1.981188000     -1.955655000     -0.745289000
6       -1.953407000      1.129163000      0.009993000
1       -2.523974000      2.053042000      0.025331000
21
IMe4
7        1.058721000     -0.707717000     -0.000052000
7       -1.058756000     -0.707680000      0.000000000
6        0.679300000      0.636539000      0.000006000
6       -0.000044000     -1.561853000     -0.000050000
6       -0.679261000      0.636577000      0.000033000
6       -1.655840000      1.760614000      0.000062000
1       -2.304963000      1.737906000     -0.880115000
1       -1.135980000      2.718010000     -0.000517000
1       -2.304203000      1.738583000      0.880824000
6        2.431331000     -1.171720000      0.000087000
1        2.966486000     -0.825041000     -0.886935000
1        2.406417000     -2.257832000      0.000161000
1        2.966353000     -0.824873000      0.887114000
6       -2.431373000     -1.171667000     -0.000026000
1       -2.406491000     -2.257785000      0.000021000
1       -2.966428000     -0.824940000     -0.887085000
1       -2.966487000     -0.824864000      0.886967000
6        1.655912000      1.760560000     -0.000070000
1        2.304175000      1.738714000      0.880772000
1        1.136071000      2.717965000     -0.000936000
1        2.305141000      1.737636000     -0.880162000
65
IDipp
7       -1.062433000     -0.000212000      0.517841000
7        1.062454000     -0.000280000      0.517849000
6        0.000014000      0.000056000     -0.342234000
6        2.435803000     -0.000119000      0.090083000
6       -2.435780000      0.000031000      0.090065000
6        0.674932000     -0.000753000      1.853545000
1        1.379330000     -0.001039000      2.666612000
6       -0.674922000     -0.000632000      1.853539000
1       -1.379327000     -0.000814000      2.666601000
6        3.085112000     -1.228217000     -0.111543000
6       -3.085203000     -1.228019000     -0.111480000
6       -3.084628000      1.228314000     -0.111866000
6       -2.381093000     -2.563361000      0.075298000
1       -1.394840000     -2.364457000      0.492766000
6        3.084766000      1.228118000     -0.111753000
6       -4.415996000     -1.199657000     -0.527711000
1       -4.940552000     -2.131324000     -0.697703000
6       -5.077330000      0.000517000     -0.734708000
1       -6.110261000      0.000711000     -1.060472000
6       -4.415425000      1.200441000     -0.528121000
1       -4.939541000      2.132307000     -0.698421000
6       -2.380115000      2.563426000      0.074960000
1       -1.393617000      2.364152000      0.491658000
6        2.380838000     -2.563492000      0.075097000
1        1.394747000     -2.364530000      0.492922000
6        4.415910000     -1.199950000     -0.527761000
1        4.940385000     -2.131651000     -0.697814000
6        2.380387000      2.563287000      0.075167000
1        1.393834000      2.364081000      0.491766000
6        5.077357000      0.000178000     -0.734668000
1        6.110292000      0.000298000     -1.060423000
6        4.415565000      1.200150000     -0.528000000
1        4.939772000      2.131978000     -0.698225000
6       -3.118372000     -3.476164000      1.065973000
1       -3.245495000     -2.990985000      2.035635000
1       -2.553854000     -4.398309000      1.220872000
1       -4.109001000     -3.755087000      0.701175000
6       -2.166931000     -3.265346000     -1.274824000
1       -3.119796000     -3.508481000     -1.750746000
1       -1.615644000     -4.198288000     -1.135832000
1       -1.599191000     -2.631234000     -1.956427000
6        2.166153000     -3.265043000     -1.275172000
1        1.598303000     -2.630639000     -1.956411000
1        1.614771000     -4.197947000     -1.136293000
1        3.118847000     -3.508169000     -1.751443000
6        3.118233000     -3.476719000      1.065286000
1        4.108667000     -3.755811000      0.700088000
1        2.553539000     -4.398763000      1.220140000
1        3.245805000     -2.991821000      2.035030000
6        2.167166000      3.266116000     -1.274636000
1        3.120312000      3.509567000     -1.749827000
1        1.615798000      4.198973000     -1.135410000
1        1.599859000      2.632440000     -1.957010000
6       -2.166707000      3.266069000     -1.274911000
1       -1.599409000      2.632249000     -1.957158000
1       -1.615255000      4.198886000     -1.135752000
1       -3.119789000      3.509558000     -1.750211000
6       -3.116700000      3.475804000      1.066580000
1       -4.107629000      3.754729000      0.702587000
1       -2.552150000      4.397934000      1.221440000
1       -3.243080000      2.990214000      2.036131000
6        3.117003000      3.475466000      1.066950000
1        3.243232000      2.989758000      2.036461000
1        2.552561000      4.397655000      1.221855000
1        4.108002000      3.754295000      0.703073000
40
 BH2Bi(SiMe3)2
83      -0.002005000     -0.842442000     -0.281012000
14       2.143182000      0.756132000      0.081801000
14      -2.139361000      0.765344000      0.079266000
5       -0.025012000     -1.730894000      1.831002000
6        3.612625000     -0.383956000      0.394127000
1        3.755399000     -1.085611000     -0.430029000
1        3.480492000     -0.964611000      1.308907000
1        4.531038000      0.202042000      0.498447000
6        1.985881000      1.975008000      1.514032000
1        1.803127000      1.462275000      2.459817000
1        1.172525000      2.684840000      1.354118000
1        2.911961000      2.549962000      1.615895000
6       -3.658627000     -0.343099000     -0.063274000
1       -3.658370000     -1.120841000      0.702982000
1       -3.703860000     -0.833371000     -1.037642000
1       -4.572432000      0.246530000      0.059385000
6        2.423557000      1.720616000     -1.516209000
1        3.317501000      2.346296000     -1.431855000
1        1.579890000      2.375194000     -1.744258000
1        2.563005000      1.049505000     -2.365968000
6       -2.162591000      1.638769000      1.750685000
1       -1.282613000      2.268360000      1.890707000
1       -2.191510000      0.918529000      2.570375000
1       -3.048797000      2.276361000      1.831340000
6       -2.168970000      2.051884000     -1.301857000
1       -3.069313000      2.669292000     -1.224620000
1       -2.170353000      1.580055000     -2.286390000
1       -1.305521000      2.718163000     -1.252324000
1        0.994368000     -2.007128000      2.381649000
1       -1.059843000     -2.014723000      2.348495000
40
GaH2Bi(SiMe3)2
83      -0.000031000     -0.152184000     -0.862241000
14       2.111107000      0.943210000      0.427436000
14      -2.111313000      0.942877000      0.427520000
31       0.000364000     -2.384629000      0.635269000
6        3.648165000      0.157680000     -0.334777000
1        3.692132000      0.330294000     -1.411975000
1        3.672621000     -0.920744000     -0.166450000
1        4.551555000      0.586041000      0.110483000
6        2.151060000      0.670141000      2.295281000
1        2.224543000     -0.390811000      2.541672000
1        1.263340000      1.070947000      2.787042000
1        3.024481000      1.170970000      2.725340000
6       -3.648033000      0.157709000     -0.335771000
1       -3.671608000     -0.921048000     -0.169451000
1       -3.692422000      0.332275000     -1.412638000
1       -4.551622000      0.584541000      0.110543000
6        2.134421000      2.799735000      0.083026000
1        3.040776000      3.246149000      0.504122000
1        1.277273000      3.306564000      0.529977000
1        2.125199000      3.009689000     -0.988250000
6       -2.151714000      0.668590000      2.295171000
1       -1.264375000      1.069777000      2.787307000
1       -2.224581000     -0.392523000      2.541004000
1       -3.025588000      1.168636000      2.725233000
6       -2.134668000      2.799665000      0.084535000
1       -3.043439000      3.244816000      0.501727000
1       -2.120456000      3.010700000     -0.986466000
1       -1.280153000      3.306834000      0.536153000
1        1.352042000     -3.091638000      1.057199000
1       -1.350950000     -3.093061000      1.055878000
95
1a
83       0.607590000      1.771163000      0.507854000
7        0.275022000     -2.464525000      0.376229000
7       -1.772611000     -1.771262000      0.403114000
6       -0.516980000     -1.416110000     -0.012502000
6       -3.000654000     -1.034298000      0.221971000
6        1.700731000     -2.593511000      0.194580000
6       -1.754421000     -3.014606000      1.014408000
1       -2.648893000     -3.472206000      1.393868000
6       -0.479389000     -3.446336000      0.997049000
1       -0.038093000     -4.354238000      1.363648000
6       -3.502398000     -0.287901000      1.301301000
6        2.537993000     -2.353550000      1.296900000
6        2.193255000     -3.027728000     -1.047395000
6        2.008684000     -1.960726000      2.670209000
1        0.953989000     -1.705192000      2.566245000
6       -3.694129000     -1.164589000     -0.992112000
6        3.908896000     -2.538520000      1.115623000
1        4.583101000     -2.359674000      1.942653000
6        4.423126000     -2.944147000     -0.104475000
1        5.491439000     -3.074660000     -0.224221000
6        3.572201000     -3.188688000     -1.170914000
1        3.986672000     -3.516260000     -2.115032000
6        1.282356000     -3.385032000     -2.212939000
1        0.293182000     -2.982600000     -2.000653000
6       -2.780657000     -0.183562000      2.638735000
1       -1.755730000     -0.527158000      2.494954000
6       -4.735932000      0.340110000      1.130098000
1       -5.151500000      0.924258000      1.940096000
6       -3.187069000     -2.018380000     -2.144786000
1       -2.161224000     -2.308769000     -1.922784000
6       -5.437209000      0.234451000     -0.059464000
1       -6.390797000      0.735290000     -0.170995000
6       -4.919073000     -0.509107000     -1.107450000
1       -5.477923000     -0.587097000     -2.030714000
6        2.104666000     -3.143638000      3.649882000
1        1.573338000     -4.022588000      3.280733000
1        1.675819000     -2.872106000      4.616913000
1        3.145185000     -3.432108000      3.813882000
6        2.710427000     -0.726031000      3.251388000
1        3.771299000     -0.907793000      3.433453000
1        2.255137000     -0.458265000      4.207094000
1        2.618866000      0.132280000      2.586664000
6       -2.696691000      1.256731000      3.161378000
1       -2.230407000      1.918100000      2.432151000
1       -2.092252000      1.285714000      4.070050000
1       -3.680989000      1.658111000      3.410178000
6       -3.437218000     -1.094395000      3.691107000
1       -4.465178000     -0.782656000      3.889388000
1       -2.885136000     -1.046998000      4.632288000
1       -3.463642000     -2.136640000      3.369487000
6       -3.153220000     -1.250164000     -3.473166000
1       -4.155091000     -0.974236000     -3.808128000
1       -2.708022000     -1.872242000     -4.252529000
1       -2.557757000     -0.341956000     -3.383932000
6        1.735770000     -2.761956000     -3.539343000
1        1.823625000     -1.679297000     -3.454134000
1        1.004960000     -2.980708000     -4.320697000
1        2.696006000     -3.160912000     -3.872389000
5       -0.106740000     -0.168621000     -0.868691000
6        1.147110000     -4.912186000     -2.344413000
1        2.110506000     -5.373352000     -2.573337000
1        0.454658000     -5.164518000     -3.150612000
1        0.772143000     -5.364417000     -1.424266000
6       -4.015411000     -3.307692000     -2.277522000
1       -4.005862000     -3.888255000     -1.353052000
1       -3.614845000     -3.937038000     -3.075354000
1       -5.056902000     -3.084095000     -2.519083000
1       -1.047810000      0.255177000     -1.476282000
1        0.858738000     -0.408060000     -1.532092000
14      -0.811864000      3.594221000     -0.885163000
6       -2.660301000      3.281756000     -0.628534000
1       -2.939162000      3.358104000      0.424162000
1       -3.244510000      4.024805000     -1.181283000
1       -2.956596000      2.292958000     -0.981632000
6       -0.439364000      5.326590000     -0.214147000
1       -1.038499000      6.078691000     -0.737583000
1       -0.676509000      5.392115000      0.850166000
1        0.611748000      5.593716000     -0.333525000
6       -0.497837000      3.588049000     -2.750884000
1       -1.179705000      4.283714000     -3.250788000
1        0.522041000      3.889602000     -2.995391000
1       -0.662374000      2.593914000     -3.170139000
14       2.940573000      2.271932000     -0.770189000
6        3.313039000      4.130461000     -0.804461000
1        2.609231000      4.676862000     -1.434604000
1        3.274877000      4.568166000      0.195313000
1        4.317662000      4.300489000     -1.205064000
6        3.013164000      1.626226000     -2.545835000
1        2.245759000      2.080670000     -3.173822000
1        3.990041000      1.847202000     -2.988107000
1        2.864313000      0.546021000     -2.572795000
6        4.355976000      1.452250000      0.186608000
1        5.313280000      1.680053000     -0.293819000
1        4.407413000      1.811880000      1.216618000
1        4.248711000      0.366495000      0.214600000
51
1b
83      -0.662870000     -0.132254000     -0.615296000
14      -1.835879000      2.218612000     -0.028059000
14      -2.540410000     -1.758527000      0.414778000
7        3.083066000      0.855697000      0.754279000
7        2.989220000     -1.241553000      0.280171000
6        4.284492000      0.535800000      0.125449000
6        2.270684000     -0.230825000      0.837542000
6        4.223814000     -0.786765000     -0.176255000
6        5.213364000     -1.673454000     -0.845661000
1        5.564028000     -2.469930000     -0.183457000
1        6.084127000     -1.098067000     -1.154478000
1        4.795433000     -2.147043000     -1.737545000
6       -1.776243000     -3.487479000      0.550758000
1       -1.407952000     -3.839440000     -0.415636000
1       -2.520641000     -4.207238000      0.905810000
1       -0.942452000     -3.495489000      1.255387000
6       -1.968882000      2.612826000      1.816723000
1       -2.604668000      1.893550000      2.335138000
1       -2.397660000      3.609808000      1.961266000
1       -0.991792000      2.589208000      2.301597000
6        2.737786000      2.184800000      1.224478000
1        3.562983000      2.604579000      1.799040000
1        1.861634000      2.106719000      1.859137000
1        2.515358000      2.846565000      0.385649000
6        2.486298000     -2.593437000      0.107144000
1        1.824756000     -2.832344000      0.934292000
1        3.318051000     -3.293924000      0.095046000
1        1.924942000     -2.681430000     -0.825141000
6        5.359438000      1.538455000     -0.103952000
1        5.000878000      2.391546000     -0.685584000
1        6.184612000      1.088192000     -0.652523000
1        5.762300000      1.928360000      0.834994000
6       -0.804414000      3.590574000     -0.837473000
1        0.206997000      3.631370000     -0.427190000
1       -1.267424000      4.568783000     -0.672887000
1       -0.719105000      3.437234000     -1.915443000
6       -3.161714000     -1.264615000      2.130858000
1       -2.329643000     -1.134997000      2.825276000
1       -3.825469000     -2.036302000      2.534148000
1       -3.721453000     -0.327851000      2.100456000
6       -3.571925000      2.319209000     -0.779657000
1       -3.554475000      2.114071000     -1.852094000
1       -3.989284000      3.321113000     -0.636467000
1       -4.256238000      1.606185000     -0.315906000
6       -4.026610000     -1.882859000     -0.752534000
1       -4.523391000     -0.919036000     -0.878425000
1       -4.764517000     -2.591074000     -0.361976000
1       -3.722345000     -2.228564000     -1.742929000
5        0.809468000     -0.312187000      1.398733000
1        0.520480000      0.590008000      2.132081000
1        0.548312000     -1.400157000      1.834526000
49
1c
83       1.030644000     -0.303616000     -0.638716000
14       3.352036000     -1.145643000      0.417390000
14       1.195975000      2.312327000     -0.028633000
7       -1.821691000     -0.850789000      0.915255000
7       -5.817442000     -0.135276000     -0.122851000
6       -4.523098000     -0.371685000      0.220456000
5       -0.314191000     -1.096968000      1.265699000
6       -3.807627000      0.477927000      1.093757000
1       -4.265544000      1.349278000      1.534160000
6        3.289443000     -3.037766000      0.409398000
1        3.148360000     -3.426050000     -0.601794000
1        2.467495000     -3.406388000      1.026219000
1        4.221197000     -3.456863000      0.802481000
6       -3.804671000     -1.485717000     -0.270641000
1       -4.261091000     -2.202850000     -0.934266000
6       -2.499133000      0.207147000      1.406480000
1       -1.938328000      0.843420000      2.074901000
6       -6.511975000     -1.039368000     -1.025280000
1       -6.005130000     -1.108897000     -1.992010000
1       -7.516931000     -0.665425000     -1.199381000
1       -6.592826000     -2.047248000     -0.606520000
6        3.683033000     -0.581448000      2.193150000
1        2.841657000     -0.817337000      2.847193000
1        3.858266000      0.494850000      2.248176000
1        4.572126000     -1.083069000      2.589298000
6       -6.519151000      1.018188000      0.416878000
1       -6.580532000      0.979458000      1.508678000
1       -7.531711000      1.033900000      0.023788000
1       -6.031344000      1.955360000      0.133159000
6       -2.495749000     -1.679997000      0.089558000
1       -1.930238000     -2.522218000     -0.281360000
6       -0.337992000      3.155008000     -0.765237000
1       -1.259431000      2.748506000     -0.341087000
1       -0.385054000      3.014064000     -1.847327000
1       -0.324989000      4.231539000     -0.566390000
6        4.811032000     -0.603763000     -0.660826000
1        5.749154000     -1.015144000     -0.274534000
1        4.909459000      0.483279000     -0.688584000
1        4.690581000     -0.950991000     -1.689217000
6        1.222032000      2.712943000      1.822348000
1        2.126924000      2.334421000      2.300169000
1        0.372382000      2.266481000      2.342326000
1        1.185770000      3.795858000      1.980102000
6        2.718636000      3.117856000     -0.816327000
1        2.705951000      4.201565000     -0.661456000
1        2.756429000      2.932401000     -1.891788000
1        3.642618000      2.731112000     -0.381736000
1       -0.107024000     -2.279499000      1.295785000
1       -0.037570000     -0.495583000      2.264264000
95
compound 2
83       2.247926000      0.100666000      0.512241000
7       -2.482864000     -1.178908000      0.485786000
7       -2.593426000      0.965284000      0.497739000
6       -1.804496000     -0.066574000      0.094613000
6       -2.332626000      2.377759000      0.325891000
6       -2.071898000     -2.554450000      0.307209000
6       -3.741193000      0.502898000      1.118125000
1       -4.491891000      1.170240000      1.499225000
6       -3.671664000     -0.844050000      1.110476000
1       -4.348530000     -1.589194000      1.485920000
6       -1.697893000      3.072956000      1.367287000
6       -1.399179000     -3.192528000      1.361161000
6       -2.424237000     -3.215515000     -0.880441000
6       -1.086042000     -2.501061000      2.681396000
1       -1.228865000     -1.428631000      2.544903000
6       -2.788011000      3.008335000     -0.842341000
6       -1.059302000     -4.533841000      1.185229000
1       -0.534578000     -5.057220000      1.973136000
6       -1.380808000     -5.207708000      0.018723000
1       -1.103090000     -6.247860000     -0.097794000
6       -2.058728000     -4.555219000     -0.998579000
1       -2.307394000     -5.096110000     -1.901662000
6       -3.219702000     -2.545942000     -1.991908000
1       -3.183328000     -1.468900000     -1.828604000
6       -1.262569000      2.399552000      2.662147000
1       -1.242503000      1.322468000      2.491272000
6       -1.512900000      4.445202000      1.200516000
1       -1.021354000      5.014069000      1.977968000
6       -3.524544000      2.265782000     -1.947876000
1       -3.397372000      1.196561000     -1.778192000
6       -1.944899000      5.093355000      0.054954000
1       -1.786850000      6.159047000     -0.054148000
6       -2.576831000      4.381703000     -0.951883000
1       -2.909952000      4.901408000     -1.840317000
6       -2.058796000     -2.963629000      3.780381000
1       -3.099485000     -2.789528000      3.501443000
1       -1.864656000     -2.426881000      4.711491000
1       -1.943379000     -4.031529000      3.978308000
6        0.366835000     -2.701479000      3.130609000
1        0.581570000     -3.746711000      3.360837000
1        0.559158000     -2.120951000      4.035053000
1        1.068234000     -2.368852000      2.366394000
6        0.149703000      2.805629000      3.101757000
1        0.878278000      2.626642000      2.311949000
1        0.449558000      2.219265000      3.972288000
1        0.201622000      3.858769000      3.384651000
6       -2.274917000      2.674926000      3.788046000
1       -2.328638000      3.743098000      4.009600000
1       -1.977233000      2.156872000      4.702277000
1       -3.279302000      2.340020000      3.523737000
6       -2.954931000      2.564179000     -3.341499000
1       -3.117237000      3.603790000     -3.632894000
1       -3.449760000      1.937039000     -4.086170000
1       -1.885600000      2.357948000     -3.377271000
6       -2.630629000     -2.802676000     -3.385370000
1       -1.583531000     -2.504221000     -3.426020000
1       -3.179830000     -2.224272000     -4.131276000
1       -2.704064000     -3.853614000     -3.671897000
31      -0.034602000      0.032382000     -1.081419000
6       -4.696097000     -2.975778000     -1.936960000
1       -4.796509000     -4.050118000     -2.106742000
1       -5.271958000     -2.459128000     -2.707950000
1       -5.148420000     -2.748762000     -0.969743000
6       -5.032560000      2.566334000     -1.897604000
1       -5.464859000      2.304903000     -0.929861000
1       -5.559777000      1.997740000     -2.666813000
1       -5.226819000      3.626742000     -2.072583000
1       -0.242456000      1.392522000     -1.872428000
1       -0.140280000     -1.299816000     -1.935273000
14       3.369809000      2.153857000     -0.825960000
6        2.448221000      3.734882000     -0.342936000
1        2.507028000      3.916104000      0.732488000
1        2.891412000      4.598158000     -0.850071000
1        1.393935000      3.687937000     -0.620687000
6        5.169915000      2.364314000     -0.273943000
1        5.612881000      3.241456000     -0.756823000
1        5.238069000      2.507179000      0.806684000
1        5.781287000      1.497730000     -0.531551000
6        3.341249000      2.022453000     -2.711149000
1        3.748668000      2.937024000     -3.154638000
1        3.941556000      1.184377000     -3.068937000
1        2.323441000      1.891579000     -3.082095000
14       3.517351000     -1.904117000     -0.770471000
6        5.383549000     -1.761237000     -0.479786000
1        5.801249000     -0.879089000     -0.968715000
1        5.618407000     -1.693223000      0.584417000
1        5.898144000     -2.639494000     -0.882876000
6        3.224001000     -2.028533000     -2.632745000
1        3.574845000     -1.140235000     -3.159648000
1        3.763283000     -2.892299000     -3.035766000
1        2.164395000     -2.154269000     -2.859985000
6        2.944796000     -3.532737000      0.007668000
1        3.459649000     -4.376122000     -0.463851000
1        3.163198000     -3.564813000      1.077271000
1        1.871324000     -3.682784000     -0.121749000
2
H2
1        0.000000000      0.000000000      0.380000000
1        0.000000000      0.000000000     -0.380000000
14
HSi(CH3)3
6        1.545938000     -0.892548000     -0.221316000
14       0.000000000      0.000000000      0.374025000
6        0.000000000      1.785095000     -0.221316000
1        0.000000000      0.000000000      1.863245000
6       -1.545938000     -0.892548000     -0.221316000
1        0.000000000      1.838333000     -1.313166000
1        0.881763000      2.321263000      0.137266000
1       -0.881763000      2.321263000      0.137266000
1       -1.592043000     -0.919166000     -1.313166000
1       -2.451155000     -0.397002000      0.137266000
1       -1.569391000     -1.924261000      0.137266000
1        2.451155000     -0.397002000      0.137266000
1        1.592043000     -0.919166000     -1.313166000
1        1.569391000     -1.924261000      0.137266000
6
CH3OH
8       -0.046596000     -0.756501000      0.000000000
6       -0.046596000      0.663615000      0.000000000
1        0.438484000      1.078506000      0.890984000
1        0.438484000      1.078506000     -0.890984000
1       -1.089053000      0.979408000      0.000000000
1        0.864424000     -1.066100000      0.000000000
18
CH3OSi(CH3)3
6       -0.522153000     -1.535462000      1.078412000
14      -0.377723000      0.000016000      0.004045000
6       -1.680089000      0.003234000     -1.337530000
6       -0.520612000      1.531445000      1.084431000
1       -2.687101000      0.002876000     -0.912943000
1       -1.584433000     -0.877842000     -1.975698000
1       -1.583569000      0.886740000     -1.972211000
1       -1.491588000      1.563635000      1.585876000
1       -0.422622000      2.444218000      0.492065000
1        0.246563000      1.554117000      1.862466000
1       -0.427691000     -2.445955000      0.481953000
1       -1.492133000     -1.567424000      1.581804000
1        0.246622000     -1.563419000      1.854688000
8        1.069807000      0.000839000     -0.807514000
6        2.354798000      0.000152000     -0.220531000
1        3.096790000      0.000393000     -1.020411000
1        2.518811000      0.888706000      0.399095000
1        2.518353000     -0.889188000      0.398103000
25
DMAP∙BH2BiH2
5       -0.833281000      0.302899000      1.625804000
1       -1.027624000     -0.578699000      2.411963000
1       -1.036667000      1.417374000      2.024942000
83      -2.333790000     -0.020341000     -0.281074000
7        0.637553000      0.208497000      1.093192000
6        3.279437000      0.014750000      0.096905000
6        1.323987000      1.300574000      0.697880000
6        1.271102000     -0.980676000      1.000577000
6        2.549510000     -1.118205000      0.525134000
6        2.605047000      1.250965000      0.206446000
1        0.796293000      2.238040000      0.796004000
1        0.695611000     -1.835260000      1.324772000
1        2.974082000     -2.108958000      0.489293000
1        3.074308000      2.177523000     -0.084215000
7        4.547591000     -0.080506000     -0.384959000
6        5.261558000      1.113738000     -0.805987000
6        5.200525000     -1.376418000     -0.476553000
1        6.250330000      0.831981000     -1.156800000
1        5.384122000      1.822203000      0.018795000
1        4.744906000      1.624846000     -1.623860000
1        5.302267000     -1.847964000      0.505530000
1        6.196078000     -1.244317000     -0.890782000
1        4.649738000     -2.059237000     -1.130066000
1       -1.716330000     -1.686417000     -0.637186000
1       -3.659149000     -0.701582000      0.727722000
33
DMAP∙BH2Bi(OMe)2
5        0.536924000     -0.000206000      2.031996000
1        0.737618000      1.014161000      2.643269000
1        0.737668000     -1.014755000      2.642959000
83       2.066302000     -0.000026000      0.188652000
7       -0.888752000     -0.000155000      1.412075000
6       -3.447191000     -0.000017000      0.218352000
6       -1.518852000     -1.153723000      1.102154000
6       -1.518752000      1.153518000      1.102180000
6       -2.762762000      1.195812000      0.527201000
6       -2.762879000     -1.195903000      0.527144000
1       -0.973335000     -2.056174000      1.329077000
1       -0.973099000      2.055888000      1.329081000
1       -3.190084000      2.162687000      0.314352000
1       -3.190280000     -2.162748000      0.314320000
7       -4.686906000      0.000070000     -0.343978000
6       -5.345175000     -1.255485000     -0.663734000
6       -5.345221000      1.255698000     -0.663336000
1       -6.322930000     -1.046202000     -1.088643000
1       -5.489386000     -1.871932000      0.228450000
1       -4.775439000     -1.838149000     -1.394224000
1       -5.488858000      1.872112000      0.228956000
1       -6.323252000      1.046524000     -1.087664000
1       -4.775863000      1.838350000     -1.394138000
8        1.012355000      1.600883000     -0.729081000
6        1.353242000      2.039042000     -2.021971000
1        2.438824000      2.082988000     -2.190082000
1        0.923316000      1.397127000     -2.803337000
1        0.958124000      3.051454000     -2.169414000
8        1.012257000     -1.600687000     -0.729375000
6        1.353015000     -2.038716000     -2.022336000
1        0.922937000     -1.396783000     -2.803606000
1        2.438580000     -2.082551000     -2.190585000
1        0.957968000     -3.051153000     -2.169802000
71
IDipp∙BH2BiH2
83       0.055659000     -2.315795000     -1.455897000
7        1.066288000      0.997391000      0.945083000
7       -1.097203000      0.990058000      0.933110000
6        2.572225000     -1.316990000      1.905430000
1        1.488348000     -1.255132000      1.796762000
6        2.278515000      3.147025000     -0.622724000
1        1.220193000      2.972948000     -0.433218000
6       -4.441879000      1.716391000     -0.505127000
1       -4.933937000      2.470482000     -1.105000000
6       -4.558671000     -0.336534000      0.733099000
1       -5.140686000     -1.175792000      1.088834000
6       -2.332685000      3.083332000     -0.694456000
1       -1.270558000      2.917400000     -0.520130000
6        4.406921000      1.808342000     -0.454724000
1        4.890551000      2.585790000     -1.031285000
6        3.190477000     -0.222867000      1.045197000
6        2.990931000     -2.728569000      1.472707000
1        2.787433000     -2.902341000      0.416333000
1        2.434209000     -3.472201000      2.046198000
1        4.052441000     -2.909572000      1.651974000
6       -3.086132000      1.852981000     -0.211194000
6       -0.697116000      1.538441000      2.140969000
1       -1.406389000      1.878350000      2.872205000
6        0.649872000      1.542624000      2.149105000
1        1.348856000      1.887361000      2.888066000
6       -2.913076000     -1.063799000      3.427690000
1       -2.585838000     -0.078042000      3.760656000
1       -2.429661000     -1.810044000      4.062082000
1       -3.990707000     -1.129243000      3.593397000
6       -5.171901000      0.634523000     -0.041285000
1       -6.223629000      0.547519000     -0.284249000
6       -2.745653000      4.327136000      0.110791000
1       -3.803366000      4.557066000     -0.034952000
1       -2.166947000      5.196994000     -0.207947000
1       -2.581096000      4.185569000      1.180741000
6       -0.010342000      0.659407000      0.169450000
6       -2.502055000      3.322849000     -2.200924000
1       -2.202834000      2.444251000     -2.772010000
1       -1.878925000      4.162294000     -2.516856000
1       -3.534090000      3.567764000     -2.459954000
6        3.048181000      1.917629000     -0.163004000
6        2.693855000      4.387309000      0.186426000
1        2.548098000      4.234730000      1.257573000
1        2.101704000      5.254146000     -0.115099000
1        3.746658000      4.629197000      0.025459000
6        2.459488000      0.884745000      0.584057000
6        4.547027000     -0.277077000      0.725220000
1        5.139802000     -1.116859000      1.061505000
6        5.150152000      0.723844000     -0.018743000
1        6.204132000      0.658516000     -0.258738000
6       -2.574903000     -1.317432000      1.947389000
1       -1.491415000     -1.245705000      1.838360000
6       -3.204439000     -0.255070000      1.055848000
6        2.905166000     -1.099232000      3.392482000
1        3.983079000     -1.155694000      3.559765000
1        2.428970000     -1.867342000      4.005788000
1        2.564555000     -0.126270000      3.749147000
6       -2.976925000     -2.745776000      1.554503000
1       -2.402598000     -3.466197000      2.140545000
1       -2.787915000     -2.937586000      0.498879000
1       -4.033085000     -2.937565000      1.753334000
5        0.005663000      0.128609000     -1.301052000
6        2.423787000      3.398832000     -2.129983000
1        3.451624000      3.646684000     -2.402711000
1        1.794861000      4.239879000     -2.429702000
1        2.116748000      2.524328000     -2.703223000
6       -2.486923000      0.849325000      0.566419000
1        1.039891000      0.399181000     -1.846337000
1       -0.984856000      0.437121000     -1.896518000
1       -1.733342000     -2.546452000     -1.531113000
1        0.124711000     -2.198061000     -3.248954000
79
IDipp∙BH2Bi(OMe)2
83      -0.445418000     -2.277011000     -0.631940000
7        1.136728000      1.557046000      0.829378000
7       -1.027501000      1.553283000      0.866092000
6        2.674048000     -0.311826000      2.465480000
1        1.587457000     -0.243756000      2.391053000
6        2.301707000      3.061958000     -1.393432000
1        1.246967000      2.946968000     -1.146826000
6       -4.405477000      1.737601000     -0.663478000
1       -4.921855000      2.259473000     -1.458143000
6       -4.458294000      0.161787000      1.146631000
1       -5.016378000     -0.537660000      1.754098000
6       -2.335949000      3.035370000     -1.289093000
1       -1.267028000      2.942245000     -1.102485000
6        4.447876000      1.872423000     -0.818337000
1        4.916288000      2.416388000     -1.628011000
6        3.270669000      0.446558000      1.288026000
6        3.032731000     -1.804001000      2.448064000
1        2.750126000     -2.261591000      1.499655000
1        2.503297000     -2.319523000      3.253142000
1        4.100551000     -1.962830000      2.612725000
6       -3.052111000      1.991310000     -0.445375000
6       -0.604370000      2.448303000      1.835807000
1       -1.298705000      2.999377000      2.442072000
6        0.742394000      2.449096000      1.813335000
1        1.455976000      3.001115000      2.396158000
6       -2.798297000      0.389309000      3.914814000
1       -2.504245000      1.439247000      3.901006000
1       -2.290867000     -0.091048000      4.754120000
1       -3.873335000      0.348144000      4.102883000
6       -5.101806000      0.830120000      0.117783000
1       -6.151464000      0.645115000     -0.073361000
6       -2.758885000      4.454122000     -0.870760000
1       -3.825038000      4.614234000     -1.045922000
1       -2.208651000      5.200636000     -1.447610000
1       -2.564913000      4.635839000      0.188062000
6        0.046601000      0.998704000      0.219965000
6       -2.544683000      2.824444000     -2.794756000
1       -2.248683000      1.819841000     -3.095782000
1       -1.939858000      3.538856000     -3.357017000
1       -3.585377000      2.978462000     -3.087304000
6        3.091836000      2.063894000     -0.560058000
6        2.702624000      4.506054000     -1.047714000
1        2.556645000      4.720245000      0.012860000
1        2.102653000      5.215964000     -1.621568000
1        3.753361000      4.689881000     -1.281863000
6        2.525150000      1.334971000      0.497619000
6        4.623530000      0.296957000      0.984270000
1        5.226724000     -0.384241000      1.569071000
6        5.207310000      0.998510000     -0.057171000
1        6.258706000      0.862583000     -0.278171000
6       -2.448741000     -0.324471000      2.596201000
1       -1.366780000     -0.261189000      2.466487000
6       -3.105954000      0.375831000      1.412751000
6        3.087605000      0.332001000      3.800379000
1        4.170474000      0.285147000      3.935289000
1        2.623339000     -0.195332000      4.636757000
1        2.792466000      1.381273000      3.858037000
6       -2.809640000     -1.813138000      2.698177000
1       -2.222678000     -2.282559000      3.490050000
1       -2.607890000     -2.347782000      1.769417000
1       -3.862263000     -1.959100000      2.947346000
5        0.031928000      0.056369000     -1.024171000
6        2.436180000      2.800249000     -2.900079000
1        3.458083000      2.962185000     -3.248850000
1        1.789132000      3.481560000     -3.456846000
1        2.146971000      1.778928000     -3.146553000
6       -2.419152000      1.288688000      0.593119000
1        1.083071000      0.035285000     -1.593825000
1       -0.923104000      0.282241000     -1.721998000
8        1.577629000     -2.892427000     -0.446277000
6        1.864897000     -4.263506000     -0.611803000
1        1.308671000     -4.906300000      0.086859000
1        1.648062000     -4.612994000     -1.628617000
1        2.933350000     -4.419112000     -0.424470000
8       -0.648300000     -2.804142000     -2.656356000
6        0.110900000     -2.193761000     -3.676872000
1       -0.130913000     -1.131185000     -3.798446000
1        1.190480000     -2.275212000     -3.501078000
1       -0.118178000     -2.704828000     -4.618736000
27
IMe4∙BH2BiH2
5       -0.267447000      0.000060000      1.566794000
6        1.132136000      0.000025000      0.871093000
1       -0.507731000     -1.007863000      2.175224000
1       -0.507717000      1.008034000      2.175144000
7        1.861052000      1.077238000      0.477567000
6        3.011883000      0.679147000     -0.198479000
6        3.011845000     -0.679187000     -0.198487000
7        1.861022000     -1.077223000      0.477605000
6        1.427481000      2.453277000      0.641654000
6        3.993581000      1.647263000     -0.758061000
6        3.993487000     -1.647351000     -0.758083000
6        1.427412000     -2.453244000      0.641735000
1        2.294984000      3.108117000      0.677046000
1        0.870978000      2.540872000      1.570104000
1        0.777697000      2.752198000     -0.183526000
1        2.294895000     -3.108109000      0.677145000
1        0.777620000     -2.752168000     -0.183438000
1        0.870906000     -2.540797000      1.570186000
1        3.528340000     -2.328648000     -1.474835000
1        4.458356000     -2.256630000      0.022188000
1        4.790077000     -1.116868000     -1.276380000
1        4.790132000      1.116743000     -1.276380000
1        4.458497000      2.256499000      0.022218000
1        3.528466000      2.328602000     -1.474793000
83      -1.961076000      0.000002000     -0.199406000
1       -1.180222000     -1.280894000     -1.218762000
1       -1.180195000      1.280792000     -1.218874000
35
IMe4∙BH2Bi(OMe)2
5        0.153965000      0.000106000      1.868816000
6        1.472965000     -0.000074000      1.024796000
1       -0.025244000     -1.008299000      2.500962000
1       -0.025137000      1.008721000      2.500684000
7        2.149301000      1.077120000      0.559437000
6        3.228751000      0.679890000     -0.221654000
6        3.228517000     -0.680730000     -0.221607000
7        2.148919000     -1.077538000      0.559483000
6        1.735205000      2.454101000      0.796829000
6        4.144259000      1.642780000     -0.892057000
6        4.143783000     -1.643922000     -0.891910000
6        1.734232000     -2.454334000      0.796934000
1        2.532069000      3.124396000      0.486564000
1        1.542009000      2.596016000      1.858229000
1        0.826401000      2.663923000      0.232599000
1        2.530040000     -3.125038000      0.484857000
1        0.824335000     -2.663221000      0.234122000
1        1.542835000     -2.596743000      1.858606000
1        3.606724000     -2.299769000     -1.581771000
1        4.671007000     -2.278304000     -0.174200000
1        4.895694000     -1.106666000     -1.466954000
1        4.895701000      1.105303000     -1.467508000
1        4.672051000      2.276756000     -0.174401000
1        3.607248000      2.299031000     -1.581567000
83      -1.685931000      0.000423000      0.336615000
8       -0.923960000      1.604164000     -0.841355000
6       -1.621805000      2.032295000     -1.987639000
1       -1.381731000      1.420305000     -2.867635000
1       -2.713547000      2.015349000     -1.858965000
1       -1.336140000      3.066456000     -2.214211000
8       -0.925806000     -1.604803000     -0.840484000
6       -1.624438000     -2.033361000     -1.986126000
1       -2.716156000     -2.014014000     -1.857583000
1       -1.383066000     -1.423190000     -2.867028000
1       -1.340850000     -3.068449000     -2.211073000
23
DMAP∙BH3
7       -2.169417000     -0.000014000     -0.019902000
7        2.014287000      0.000006000      0.012820000
6        0.653412000      0.000006000      0.001103000
5       -3.782020000      0.000010000      0.034661000
6       -0.097883000      1.195933000     -0.007748000
1        0.379730000      2.162897000     -0.010841000
6       -0.097864000     -1.195930000     -0.007775000
1        0.379769000     -2.162884000     -0.010895000
6       -1.471837000      1.146592000     -0.018489000
1       -2.067533000      2.048204000     -0.028727000
6        2.746236000     -1.255778000      0.006196000
1        2.502836000     -1.868198000      0.879344000
1        3.811996000     -1.046219000      0.030180000
1        2.536434000     -1.842649000     -0.893412000
6        2.746253000      1.255781000      0.006152000
1        2.536359000      1.842676000     -0.893418000
1        3.812012000      1.046204000      0.030004000
1        2.502965000      1.868185000      0.879344000
6       -1.471821000     -1.146611000     -0.018512000
1       -2.067508000     -2.048227000     -0.028769000
1       -4.143517000     -1.010098000     -0.525992000
1       -4.143516000      1.009642000     -0.526855000
1       -4.083011000      0.000520000      1.210741000
89
IDipp∙BH3
5        0.000000000     -0.072951000     -1.921517000
1        1.008018000      0.449696000     -2.341361000
1       -1.008021000      0.449690000     -2.341361000
7       -1.075771000      0.004809000      0.501640000
7        1.075770000      0.004810000      0.501639000
6        0.000000000     -0.007258000     -0.329580000
6       -0.674309000      0.019790000      1.828965000
1       -1.381367000      0.031222000      2.638122000
6        0.674309000      0.019791000      1.828964000
1        1.381367000      0.031224000      2.638122000
6       -2.461291000      0.002435000      0.097868000
6       -3.114874000      1.232378000     -0.070557000
6       -4.466070000      1.202037000     -0.411664000
1       -4.999139000      2.133294000     -0.553155000
6       -5.136402000      0.001164000     -0.581757000
1       -6.185585000      0.000569000     -0.850151000
6       -4.463688000     -1.198573000     -0.416165000
1       -4.995224000     -2.130387000     -0.559461000
6       -3.111951000     -1.227863000     -0.074700000
6       -2.409230000      2.570081000      0.090350000
1       -1.362947000      2.373518000      0.322965000
6       -2.991932000      3.381738000      1.257845000
1       -2.439312000      4.315360000      1.383734000
1       -4.039072000      3.637152000      1.082447000
1       -2.938307000      2.827782000      2.197207000
6       -2.431792000      3.379974000     -1.215211000
1       -1.860882000      4.303443000     -1.094379000
1       -1.992784000      2.809932000     -2.033932000
1       -3.450319000      3.655737000     -1.497053000
6       -2.407372000     -2.565243000      0.093918000
1       -1.355511000     -2.369269000      0.299806000
6       -2.969951000     -3.350722000      1.289250000
1       -2.419401000     -4.284523000      1.422739000
1       -2.894437000     -2.778434000      2.216063000
1       -4.021824000     -3.603561000      1.140013000
6       -2.460062000     -3.400543000     -1.194138000
1       -1.893660000     -4.325471000     -1.064107000
1       -3.484982000     -3.674822000     -1.453204000
1       -2.028110000     -2.851447000     -2.030605000
6        2.461291000      0.002436000      0.097868000
6        3.114872000      1.232381000     -0.070560000
6        4.466068000      1.202040000     -0.411667000
1        4.999135000      2.133298000     -0.553160000
6        5.136402000      0.001168000     -0.581757000
1        6.185584000      0.000575000     -0.850152000
6        4.463689000     -1.198569000     -0.416164000
1        4.995227000     -2.130383000     -0.559458000
6        3.111952000     -1.227860000     -0.074698000
6        2.409226000      2.570083000      0.090345000
1        1.362943000      2.373518000      0.322957000
6        2.991925000      3.381741000      1.257842000
1        2.938297000      2.827784000      2.197203000
1        4.039064000      3.637155000      1.082446000
1        2.439303000      4.315362000      1.383729000
6        2.431790000      3.379976000     -1.215217000
1        1.860879000      4.303444000     -1.094385000
1        3.450318000      3.655741000     -1.497056000
1        1.992785000      2.809933000     -2.033939000
6        2.407376000     -2.565241000      0.093924000
1        1.355514000     -2.369268000      0.299810000
6        2.969955000     -3.350715000      1.289258000
1        2.419406000     -4.284517000      1.422750000
1        4.021828000     -3.603552000      1.140024000
1        2.894438000     -2.778424000      2.216070000
6        2.460069000     -3.400546000     -1.194129000
1        1.893668000     -4.325474000     -1.064096000
1        2.028117000     -2.851453000     -2.030599000
1        3.484990000     -3.674824000     -1.453193000
1        0.000003000     -1.258676000     -2.217371000
25
IMe4∙BH3
7       -0.858916000      0.750008000     -0.006097000
7        1.122481000     -0.067284000     -0.015043000
6       -1.003430000     -0.638215000      0.001148000
6        0.447016000      1.105663000     -0.012688000
6        0.252366000     -1.154236000     -0.002608000
6        0.729297000     -2.563581000     -0.000406000
1        1.294041000     -2.804198000     -0.905246000
1       -0.114851000     -3.248819000      0.052499000
1        1.378443000     -2.770363000      0.854402000
6       -1.974853000      1.681433000      0.001832000
1       -2.610956000      1.519265000     -0.869266000
1       -1.570593000      2.687607000     -0.025835000
1       -2.571047000      1.553355000      0.906416000
6        2.572041000     -0.162375000      0.008684000
1        2.977576000      0.820785000     -0.207142000
1        2.913971000     -0.871863000     -0.744681000
1        2.921433000     -0.486529000      0.990659000
6       -2.332559000     -1.306724000      0.005923000
1       -2.926962000     -1.026738000      0.879692000
1       -2.210066000     -2.388277000      0.023738000
1       -2.919162000     -1.055663000     -0.881969000
5        1.111675000      2.560699000      0.004661000
1        0.271353000      3.427622000     -0.079793000
1        1.891653000      2.626989000     -0.929720000
1        1.732565000      2.662470000      1.049603000

 