111
Molecule Name
C       1.958700    0.000100   -0.000200
Sn     -0.000000    0.000000    0.000000
C      -1.958800    0.000000    0.000300
Si      2.739600   -1.117100   -1.222500
Si      2.739900    1.117300    1.222000
Si     -2.739900    1.117100   -1.222000
Si     -2.739700   -1.117200    1.222600
C       3.778400   -0.212100   -2.490600
H       3.168800    0.520000   -3.024900
H       4.211800   -0.899100   -3.221900
H       4.586400    0.333100   -1.998600
C       1.339900   -2.021400   -2.105200
C       0.769100   -1.504200   -3.270700
H       1.174300   -0.597500   -3.704100
C      -0.311700   -2.126800   -3.881000
H      -0.737700   -1.712300   -4.788700
C      -0.840700   -3.286900   -3.333800
H      -1.682100   -3.777300   -3.810200
C      -0.287600   -3.820500   -2.176400
H      -0.703800   -4.724800   -1.746400
C       0.792300   -3.193700   -1.572100
H       1.226700   -3.620400   -0.674600
C       3.785500   -2.403400   -0.346200
C       3.425000   -2.824900    0.935000
H       2.575800   -2.359300    1.422200
C       4.136900   -3.818800    1.590900
H       3.841400   -4.130500    2.587000
C       5.233800   -4.406900    0.975600
H       5.796300   -5.180600    1.486900
C       5.612100   -3.997000   -0.296500
H       6.470600   -4.451300   -0.779500
C       4.891400   -3.006400   -0.949300
H       5.198400   -2.699700   -1.944000
C       3.778900    0.212300    2.489900
H       3.169400   -0.519900    3.024200
H       4.212300    0.899100    3.221300
H       4.586800   -0.332900    1.997700
C       3.785500    2.403600    0.345500
C       4.891500    3.006700    0.948400
H       5.198600    2.700100    1.943100
C       5.611900    3.997400    0.295500
H       6.470500    4.451700    0.778300
C       5.233400    4.407100   -0.976600
H       5.795700    5.180900   -1.488000
C       4.136400    3.819000   -1.591700
H       3.840800    4.130600   -2.587700
C       3.424700    2.825000   -0.935700
H       2.575500    2.359300   -1.422700
C       1.340200    2.021400    2.105000
C       0.769600    1.504200    3.270600
H       1.175100    0.597500    3.703900
C      -0.311100    2.126600    3.881100
H      -0.736900    1.712000    4.788900
C      -0.840400    3.286700    3.333900
H      -1.681700    3.777000    3.810500
C      -0.287600    3.820200    2.176400
H      -0.703900    4.724500    1.746500
C       0.792300    3.193600    1.571900
H       1.226600    3.620400    0.674400
C      -3.778800    0.212100   -2.490000
H      -3.169300   -0.520100   -3.024300
H      -4.212200    0.899100   -3.221400
H      -4.586900   -0.333000   -1.997900
C      -3.785600    2.403500   -0.345700
C      -4.891600    3.006500   -0.948700
H      -5.198700    2.699800   -1.943400
C      -5.612200    3.997200   -0.296000
H      -6.470700    4.451400   -0.778900
C      -5.233800    4.407000    0.976100
H      -5.796200    5.180800    1.487400
C      -4.136800    3.819000    1.591400
H      -3.841300    4.130700    2.587400
C      -3.425000    2.825000    0.935500
H      -2.575800    2.359500    1.422700
C      -1.340200    2.021200   -2.104900
C      -0.792500    3.193600   -1.572000
H      -1.226900    3.620500   -0.674600
C       0.287400    3.820200   -2.176500
H       0.703600    4.724600   -1.746700
C       0.840400    3.286500   -3.333900
H       1.681700    3.776800   -3.810400
C       0.311200    2.126300   -3.880900
H       0.737200    1.711600   -4.788500
C      -0.769500    1.503900   -3.270400
H      -1.174800    0.597100   -3.703600
C      -3.778600   -0.212200    2.490500
H      -3.169100    0.519900    3.024900
H      -4.212100   -0.899200    3.221900
H      -4.586600    0.333000    1.998400
C      -3.785400   -2.403600    0.346300
C      -3.424700   -2.825200   -0.934900
H      -2.575500   -2.359600   -1.422000
C      -4.136400   -3.819200   -1.590800
H      -3.840700   -4.131000   -2.586800
C      -5.233300   -4.407400   -0.975600
H      -5.795600   -5.181200   -1.486800
C      -5.611800   -3.997500    0.296500
H      -6.470300   -4.451800    0.779400
C      -4.891300   -3.006700    0.949200
H      -5.198500   -2.700000    1.944000
C      -1.339900   -2.021200    2.105300
C      -0.792100   -3.193600    1.572300
H      -1.226600   -3.620500    0.675000
C       0.287900   -3.820100    2.176700
H       0.704100   -4.724400    1.746800
C       0.841000   -3.286300    3.334000
H       1.682400   -3.776600    3.810400
C       0.311800   -2.126100    3.881100
H       0.737900   -1.711400    4.788600
C      -0.769000   -1.503800    3.270700
H      -1.174300   -0.597000    3.704000
130
Molecule Name
Sn     -0.369300   -0.094600    0.189300
C       1.598800    0.001400   -0.008000
C      -2.221100   -0.804200    0.152500
Si     -3.352000    0.005000   -1.020000
Si     -2.416900   -2.402200    1.010300
Si      2.472600    1.176800    1.084200
Si      2.290400   -1.113000   -1.272200
C       2.925800   -2.747400   -0.588600
C       0.996000   -1.554300   -2.571100
C      -1.879200   -3.893100   -0.000300
C      -1.233600   -2.338500    2.492600
C      -4.156800   -2.687000    1.646400
C      -4.714100   -1.215200   -1.436200
C      -2.525300    0.519600   -2.630600
C       2.543200   -3.193400    0.676200
C       1.689400    1.242000    2.790700
C       2.926300   -4.440900    1.147200
C       3.713300   -5.267900    0.357200
C       4.111900   -4.840600   -0.903500
C       3.717200   -3.593800   -1.369000
C       3.443700    0.563900   -3.272500
C       3.704200   -0.267900   -2.178700
C      -4.152600    1.540900   -0.271700
C       4.461200    1.260300   -3.908900
C       5.769900    1.136500   -3.458600
C       6.050200    0.308400   -2.381000
C       5.027400   -0.387000   -1.750700
C      -0.548200   -3.965500   -0.414100
C      -0.068600   -5.023600   -1.169200
C      -0.937200   -6.042400   -1.541500
C      -2.267500   -5.994500   -1.143300
C      -2.730500   -4.933300   -0.374200
C      -1.245200   -1.211000    3.324400
C      -0.398800   -1.105300    4.418400
C       0.496300   -2.129200    4.700300
C       0.517700   -3.261100    3.897400
C      -0.343800   -3.366000    2.812500
C      -6.053400   -1.001100   -1.109100
C      -7.014000   -1.973800   -1.354900
C      -6.648000   -3.179800   -1.937500
C      -5.320500   -3.406200   -2.279900
C      -4.365900   -2.431600   -2.030700
C      -4.320100    2.732900   -0.976200
C      -4.905400    3.845500   -0.384000
C      -5.345900    3.781400    0.930900
C      -5.189500    2.603100    1.652300
C       4.256700    0.632500    1.291400
C       2.504300    2.943200    0.418100
C      -4.595100    1.501700    1.054400
C       5.343900    1.445200    0.971600
C       6.645600    0.975200    1.083300
C       6.882300   -0.323200    1.513800
C       5.812300   -1.143500    1.851900
C       4.516100   -0.662700    1.747100
C       2.058500    4.030500    1.170800
C       2.072400    5.320900    0.655600
C       2.540100    5.548300   -0.631300
C       2.990600    4.479100   -1.398600
C       2.971800    3.194200   -0.876500
H       1.413900   -2.252700   -3.300800
H       0.653400   -0.664600   -3.106100
H       0.119600   -2.037100   -2.130300
H      -4.189700   -3.593200    2.257000
H      -4.471500   -1.848300    2.271900
H      -4.874400   -2.786700    0.830200
H      -2.052200   -0.353100   -3.086800
H      -3.248100    0.921800   -3.345400
H      -1.753000    1.277100   -2.470900
H       1.923700   -2.552600    1.297000
H       2.240300    1.908000    3.459900
H       0.648800    1.580100    2.756400
H       1.695000    0.241300    3.226200
H       2.607300   -4.769500    2.130000
H       4.014900   -6.243900    0.721600
H       4.729800   -5.481700   -1.523400
H       4.038000   -3.269000   -2.354500
H       2.425400    0.678200   -3.630800
H       4.235200    1.899900   -4.755900
H       6.568500    1.682500   -3.949400
H       7.067200    0.210100   -2.018400
H       5.262400   -1.019000   -0.901700
H       0.148600   -3.187700   -0.122500
H       0.977500   -5.047400   -1.455100
H      -0.577400   -6.874600   -2.137000
H      -2.946700   -6.791000   -1.429200
H      -3.772400   -4.910900   -0.073600
H      -1.936200   -0.401900    3.104800
H      -0.426100   -0.220100    5.044400
H       1.172600   -2.045100    5.543800
H       1.209900   -4.066500    4.118500
H      -0.312000   -4.255200    2.192800
H      -6.347400   -0.066000   -0.643700
H      -8.049400   -1.793600   -1.085600
H      -7.395600   -3.943500   -2.123300
H      -5.024600   -4.347700   -2.729300
H      -3.328600   -2.636200   -2.275600
H      -3.983400    2.801500   -2.004900
H      -5.022100    4.762900   -0.951800
H      -5.816500    4.643700    1.392200
H      -5.534200    2.545200    2.679500
H      -4.458000    0.587900    1.625000
H       5.171600    2.452800    0.609800
H       7.477500    1.619200    0.818500
H       7.898200   -0.696600    1.586200
H       5.986000   -2.161200    2.184000
H       3.690000   -1.316700    1.997900
H       1.682900    3.870500    2.175600
H       1.719200    6.150000    1.260200
H       2.566200    6.556200   -1.033100
H       3.366100    4.647700   -2.402500
H       3.327200    2.369800   -1.485400
N      -0.813400    2.123900    0.212600
C      -0.355500    2.888400   -0.788400
C      -0.658200    4.217000   -0.907000
C      -1.443000    4.841200    0.084500
C      -1.890600    4.027500    1.146100
C      -1.576300    2.696000    1.152600
H       0.292400    2.393000   -1.502200
H      -0.251200    4.768300   -1.740200
H      -2.510100    4.418100    1.938300
H      -1.951600    2.038000    1.926700
N      -1.749100    6.156200    0.021600
C      -2.597700    6.753700    1.030300
C      -1.229000    6.971600   -1.055500
H      -2.110700    6.771500    2.011600
H      -2.824400    7.778100    0.743600
H      -3.540600    6.208100    1.120400
H      -0.140300    6.892600   -1.114800
H      -1.652100    6.681500   -2.023500
H      -1.484600    8.012200   -0.869000
114
Molecule Name
C       1.534700    0.139000   -0.322200
Sn     -0.314000    0.803600   -0.382900
C      -2.018100    1.710500    0.000400
Si     -3.409200    0.758000    0.695500
Si     -2.003300    3.450300   -0.557200
Si      1.875800   -1.364000   -1.310900
Si      2.510000    0.908700    1.032700
C       1.155200   -2.914800   -0.497800
C       3.720600   -1.684500   -1.370000
C       1.199600   -1.186000   -3.051200
C      -4.754100    1.905000    1.315200
C       1.517000    2.252200    1.897900
C       2.985500   -0.398400    2.288700
C       4.066300    1.700500    0.354300
C      -3.467000    3.955600   -1.615500
C       1.103100   -2.996400    0.903800
C       0.815200   -4.190500    1.542000
C       0.556300   -5.333200    0.795300
C       0.581700   -5.276400   -0.591000
C       0.882900   -4.081800   -1.230800
C       4.580400   -0.689300   -1.838700
C       5.957400   -0.841300   -1.780600
C       6.500600   -2.014000   -1.271900
C       5.661800   -3.031900   -0.836100
C      -4.149900   -0.320200   -0.684200
C      -2.920000   -0.417000    2.086500
C       4.284500   -2.864700   -0.880300
C      -4.084700    0.149800   -2.004600
C      -4.675000   -0.543000   -3.047800
C      -5.339100   -1.739000   -2.801500
C      -5.412000   -2.231200   -1.508500
C      -4.828800   -1.527500   -0.461300
C      -3.927600   -1.118300    2.759600
C      -3.630800   -2.099700    3.692700
C      -2.308400   -2.404700    3.984200
C      -1.290500   -1.702000    3.359600
C      -1.600500   -0.716700    2.432900
C       2.214000   -0.612700    3.433600
C       2.447000   -1.701700    4.263600
C       3.458700   -2.602900    3.957200
C       4.248500   -2.395100    2.834200
C       4.018100   -1.299300    2.015700
C       5.291600    1.660900    1.019100
C       6.419300    2.260800    0.473400
C       6.334100    2.925100   -0.742700
C      -1.883600    4.596100    0.921100
C       5.115900    2.990300   -1.408600
C       3.998200    2.377600   -0.863600
C      -1.671500    4.082200    2.201100
C      -1.549900    4.920400    3.301000
C      -0.447800    3.671700   -1.605900
C      -1.634700    6.295900    3.135700
C      -1.845500    6.828000    1.869600
C      -1.971400    5.983700    0.775900
C       0.601400    4.514700   -1.230700
C       1.731200    4.649900   -2.025900
C       1.838200    3.935400   -3.212100
C       0.814300    3.082500   -3.601300
C      -0.317700    2.959200   -2.807300
H       1.383300   -2.075900   -3.656800
H       1.691700   -0.336900   -3.532100
H       0.120800   -1.001600   -3.066900
H      -5.530700    1.339400    1.835500
H      -4.344800    2.645500    2.005700
H      -5.227800    2.429500    0.483600
H       2.130700    2.710000    2.678100
H       1.239100    3.046000    1.199200
H       0.601000    1.887400    2.370400
H      -3.400600    5.015600   -1.874200
H      -3.492400    3.388400   -2.548800
H      -4.411500    3.795000   -1.093200
H       1.305600   -2.109300    1.490500
H       0.783400   -4.226400    2.624400
H       0.312000   -6.263900    1.294100
H       0.351200   -6.158600   -1.176700
H       0.900700   -4.052000   -2.314400
H       4.171300    0.235700   -2.225000
H       6.602100   -0.037500   -2.116700
H       7.577000   -2.135200   -1.216300
H       6.082400   -3.953200   -0.447100
H       3.640900   -3.651500   -0.502600
H      -3.544800    1.068200   -2.204400
H      -4.600500   -0.163700   -4.060800
H      -5.776400   -2.296800   -3.621200
H      -5.898100   -3.179400   -1.311400
H      -4.877700   -1.942900    0.537800
H      -4.969500   -0.899700    2.548000
H      -4.433600   -2.636700    4.185500
H      -2.073400   -3.186400    4.697600
H      -0.253700   -1.919300    3.583200
H      -0.773700   -0.169800    1.986300
H       1.409000    0.072700    3.679300
H       1.838300   -1.848200    5.149900
H       3.633900   -3.461800    4.595800
H       5.041600   -3.092100    2.587500
H       4.636900   -1.157900    1.137800
H       5.372600    1.142000    1.968400
H       7.368000    2.206600    0.996200
H       7.215000    3.391300   -1.170700
H       5.042700    3.508700   -2.359000
H       3.056700    2.400000   -1.400500
H      -1.600100    3.007000    2.328200
H      -1.386400    4.500100    4.287400
H      -1.537400    6.954300    3.992000
H      -1.912700    7.902400    1.736800
H      -2.134100    6.415600   -0.207200
H       0.528400    5.074600   -0.304300
H       2.539300    5.300300   -1.711300
H       2.723200    4.037500   -3.830100
H       0.893900    2.519400   -4.524400
H      -1.121100    2.304300   -3.134900
Sn     -1.727200   -2.198900   -0.721700
Cl     -2.587500   -3.979100    0.600700
Cl     -2.111600   -3.126700   -2.901700
122
Molecule Name
Sn      0.342400    0.560900   -0.163800
C      -1.648200    0.255800    0.104900
C       2.304100    0.012900   -0.203200
Si      3.499500    0.923900    0.915700
Si      2.759500   -1.567100   -1.111800
Si     -2.902600    1.214800   -0.917600
Si     -2.074000   -1.133200    1.300500
C      -2.406000   -2.810300    0.421100
C      -0.622300   -1.459700    2.523300
C       2.614600   -3.205600   -0.112800
C       1.604500   -1.768100   -2.647900
C       4.560900   -1.513800   -1.780400
C       4.800200   -0.232200    1.724600
C       2.586900    1.789600    2.375900
C      -1.948000   -3.038200   -0.886900
C      -2.145900    1.688100   -2.622900
C      -2.110400   -4.281100   -1.505500
C      -2.741400   -5.323200   -0.822700
C      -3.205400   -5.116800    0.479600
C      -3.036800   -3.872900    1.093700
C      -3.455900   -0.045300    3.603600
C      -3.607900   -0.728600    2.381500
C       4.504700    2.297400   -0.001300
C      -4.559300    0.271100    4.399800
C      -5.843800   -0.092100    3.986800
C      -6.015400   -0.771900    2.779500
C      -4.909100   -1.087900    1.986200
C       1.362700   -3.773500    0.188200
C       1.257100   -4.953300    0.929200
C       2.410300   -5.592000    1.391100
C       3.663500   -5.044700    1.106700
C       3.762200   -3.866000    0.362400
C       1.158100   -0.646200   -3.372600
C       0.372800   -0.782600   -4.521400
C       0.021800   -2.055000   -4.977300
C       0.465600   -3.183700   -4.282800
C       1.246300   -3.040000   -3.132200
C       6.180400   -0.038400    1.537600
C       7.114800   -0.859200    2.175500
C       6.683800   -1.887600    3.016400
C       5.316000   -2.095800    3.212600
C       4.385200   -1.276600    2.570600
C       5.023000    3.409100    0.687800
C       5.725300    4.416100    0.019500
C       5.927600    4.331000   -1.360500
C       5.431200    3.229700   -2.064600
C      -4.529300    0.258900   -1.275000
C      -3.460100    2.857500   -0.066400
C       4.730200    2.227300   -1.388500
C      -5.772600    0.779700   -0.874700
C      -6.963000    0.109600   -1.167500
C      -6.932400   -1.100600   -1.864000
C      -5.706700   -1.632900   -2.272400
C      -4.519700   -0.955500   -1.984800
C      -3.664700    4.037300   -0.804300
C      -4.040600    5.230000   -0.177900
C      -4.221200    5.265300    1.207100
C      -4.034200    4.100300    1.957800
C      -3.657900    2.911000    1.327700
H      -0.896200   -2.269600    3.210000
H      -0.392500   -0.567500    3.119300
H       0.289500   -1.767600    1.997700
H       4.804100   -2.477900   -2.242700
H       4.663200   -0.737900   -2.546500
H       5.286400   -1.312800   -0.984800
H       2.084000    1.032900    2.990400
H       3.294500    2.324700    3.019600
H       1.836000    2.506400    2.024900
H      -1.456000   -2.232200   -1.422800
H      -2.868500    2.229700   -3.243800
H      -1.250600    2.312000   -2.508500
H      -1.857500    0.774200   -3.155600
H      -1.739000   -4.430200   -2.513100
H      -2.870500   -6.288500   -1.299700
H      -3.698900   -5.921800    1.013600
H      -3.407600   -3.724700    2.103000
H      -2.463700    0.234600    3.943500
H      -4.417700    0.791700    5.340900
H      -6.702700    0.151300    4.602500
H      -7.009400   -1.053400    2.450200
H      -5.060600   -1.612600    1.050300
H       0.450300   -3.311200   -0.169200
H       0.276500   -5.367100    1.135900
H       2.333300   -6.508400    1.965900
H       4.563700   -5.533600    1.463300
H       4.743900   -3.453200    0.161800
H       1.440000    0.347200   -3.036200
H       0.042900    0.098400   -5.061300
H      -0.586100   -2.166300   -5.868100
H       0.205200   -4.175100   -4.638100
H       1.572200   -3.924000   -2.595900
H       6.524700    0.763600    0.894100
H       8.175400   -0.695200    2.018100
H       7.407700   -2.524200    3.513000
H       4.974000   -2.899900    3.854300
H       3.326200   -1.463600    2.715400
H       4.877300    3.492600    1.759600
H       6.114900    5.263700    0.573200
H       6.475100    5.109400   -1.880500
H       5.597400    3.149400   -3.133700
H       4.340800    1.378600   -1.940800
H      -5.807800    1.711700   -0.323300
H      -7.911200    0.528800   -0.848400
H      -7.854900   -1.625300   -2.086800
H      -5.673300   -2.574600   -2.808800
H      -3.578600   -1.389500   -2.300400
H      -3.529400    4.029100   -1.880600
H      -4.196600    6.126500   -0.768700
H      -4.517200    6.187300    1.695400
H      -4.189300    4.114800    3.031200
H      -3.524700    2.014200    1.922900
N       0.526300    2.826400   -0.367900
C      -0.319900    3.671300    0.278000
C      -0.166100    5.050400    0.201700
C       0.895500    5.576500   -0.538100
C       1.770600    4.705500   -1.191400
C       1.552900    3.337300   -1.095600
H      -1.129400    3.221100    0.834300
H      -0.875700    5.686600    0.711800
H       1.041300    6.648000   -0.600800
H       2.620800    5.066700   -1.753400
H       2.213700    2.620600   -1.561100
124
Molecule Name
C      -1.712200   -0.205500    0.118100
Ge      0.014300   -0.572200   -0.238000
C       1.749600   -0.100800   -0.375400
Si     -1.990800    0.736900    1.711400
Si     -3.121100   -0.767300   -0.955100
Si      1.996200    1.544600   -1.228000
Si      3.105000   -1.182300    0.293200
C       0.645700    1.837400   -2.512400
C       2.021500    3.054700   -0.083400
C       1.236300    4.177200   -0.372100
C       1.244500    5.301700    0.445100
C       2.047400    5.331700    1.576600
C       4.109700   -2.084600   -1.024500
C       2.837800    4.231400    1.882900
C       2.821600    3.109800    1.064400
C      -4.373500   -1.822700   -0.021600
C      -0.415400    1.462200    2.442800
C      -3.199400    2.183200    1.535900
C      -2.704600   -0.399100    3.056900
C       3.755200    0.670500   -3.309700
C       4.866000    0.717900   -4.140900
C       5.855200    1.669100   -3.921600
C       5.720000    2.568200   -2.873100
C       3.599400    1.562300   -2.241700
C       4.603600    2.514400   -2.046100
C       5.523500    0.336800    0.687500
C       6.468400    1.048800    1.416100
C       4.376900   -0.188500    1.294300
C       2.449000   -2.500000    1.494900
C       6.291400    1.248900    2.778200
C       5.165700    0.729800    3.405100
C       4.225100    0.020800    2.669800
C       1.488100   -2.215500    2.471700
C       1.080500   -3.165200    3.402400
C       1.628900   -4.440400    3.375300
C       2.583500   -4.752000    2.415500
C       2.987300   -3.792500    1.494600
C      -4.047900    0.701500   -1.711600
C      -2.598900   -1.750700   -2.496800
C      -5.311300    0.504400   -2.281300
C      -5.979300    1.530200   -2.935300
C      -5.392200    2.784400   -3.041800
C      -4.139300    3.002600   -2.486600
C      -3.480400    1.971200   -1.829200
C      -2.997600   -3.073800   -2.708800
C      -2.723200   -3.735300   -3.902100
C      -2.036600   -3.082800   -4.917300
C      -1.630800   -1.766500   -4.731400
C      -1.915500   -1.112700   -3.539400
C      -4.585800    2.010600    1.602000
C      -5.457100    3.085200    1.487300
C      -4.958000    4.368200    1.308100
C      -3.585500    4.566500    1.244700
C      -2.720400    3.485600    1.356600
C      -2.531600   -1.784500    3.028300
C      -2.980700   -2.596700    4.063200
C      -3.617800   -2.033300    5.160500
C      -3.798800   -0.657100    5.214600
C      -3.347000    0.145800    4.175500
H       0.837300    2.761900   -3.063700
H       0.648500    1.020800   -3.238600
H      -0.354400    1.899900   -2.077600
H       0.599900    4.181100   -1.250600
H       0.623500    6.155900    0.195100
H       2.056400    6.207200    2.217600
H       3.523800   -2.846800   -1.542400
H       4.979700   -2.572900   -0.576300
H       4.475700   -1.382900   -1.776200
H       3.468400    4.242500    2.765700
H       3.440600    2.261300    1.332800
H      -5.231100   -2.072000   -0.651800
H      -3.937600   -2.758600    0.336900
H      -4.746500   -1.291500    0.856500
H      -0.686300    2.007900    3.351700
H       0.301400    0.692200    2.731800
H       0.099200    2.153800    1.773700
H       2.990500   -0.077800   -3.499100
H       4.959800    0.015200   -4.962700
H       6.724700    1.711200   -4.569300
H       6.485000    3.317900   -2.698500
H       4.511600    3.230400   -1.236300
H       5.686400    0.199000   -0.375900
H       7.345700    1.446800    0.916800
H       7.029000    1.802400    3.350000
H       5.021800    0.872900    4.471100
H       3.361000   -0.384700    3.185200
H       1.045600   -1.225500    2.519000
H       0.334100   -2.904700    4.144900
H       1.317800   -5.185400    4.100000
H       3.022400   -5.744300    2.388400
H       3.746500   -4.059600    0.766700
H      -5.787100   -0.470200   -2.225500
H      -6.959000    1.349700   -3.366000
H      -5.911000    3.588300   -3.553700
H      -3.675500    3.980700   -2.557500
H      -2.511600    2.161800   -1.381200
H      -3.554700   -3.599400   -1.939300
H      -3.058700   -4.757800   -4.044000
H      -1.829100   -3.592200   -5.852500
H      -1.107100   -1.242100   -5.524100
H      -1.624800   -0.072500   -3.430800
H      -4.999500    1.018800    1.754900
H      -6.528400    2.920500    1.537200
H      -5.636500    5.210400    1.220500
H      -3.185900    5.566800    1.112000
H      -1.651600    3.667900    1.305800
H      -2.036700   -2.233500    2.173500
H      -2.837700   -3.671500    4.011000
H      -3.974200   -2.663200    5.968900
H      -4.296100   -0.207900    6.068200
H      -3.505500    1.218400    4.234000
C      -0.286100   -5.049600   -0.862800
C      -0.545100   -3.789000   -0.047000
O       0.041900   -2.702100   -0.814400
C       0.618200   -3.212500   -2.043500
C       0.910000   -4.665300   -1.735600
H      -0.086600   -5.907800   -0.220200
H      -1.148600   -5.281900   -1.490800
H      -1.604800   -3.575900    0.091300
H      -0.042300   -3.804400    0.920100
H       1.490900   -2.601300   -2.265500
H      -0.118600   -3.105600   -2.841800
H       0.986300   -5.268500   -2.641500
H       1.841800   -4.758400   -1.173500
124
Molecule Name
C      -1.784800   -0.540500    0.399400
Sn      0.158900   -0.346500    0.113200
C       1.871900    0.435500   -0.472800
Si      1.945500    2.257400   -0.256500
Si      3.269500   -0.635100   -0.966200
Si     -2.855600   -0.970600   -1.006400
Si     -2.444500    0.280800    1.884400
C      -1.929400   -1.021000   -2.642800
C      -3.633100   -2.668800   -0.738700
C      -4.254000    0.270400   -1.124700
C      -3.419200   -3.379200    0.443000
C      -3.837200   -0.679700    2.695700
C      -3.984800   -4.630800    0.648500
C       4.456500    0.159200   -2.184900
C      -4.781100   -5.199500   -0.336600
C      -5.011400   -4.508000   -1.519600
C       1.532500    2.793400    1.491400
C      -4.443800   -3.256400   -1.713600
C      -5.555000   -0.022200   -0.715500
C      -6.539100    0.958900   -0.704500
C      -6.234800    2.249900   -1.110600
C      -4.945200    2.558900   -1.525500
C      -3.967500    1.578900   -1.525500
C      -0.761000    1.593500    3.837000
C      -1.011300    0.427300    3.112000
C       0.337200    1.694000    4.680800
C       4.251000   -1.185200    0.543600
C       1.212000    0.624300    4.821400
C       3.677300    2.871100   -0.613100
C       0.970900   -0.555600    4.131500
C      -0.131900   -0.648700    3.291100
C       5.408400   -1.961900    0.434300
C       2.660600   -2.149300   -1.923300
C       0.737500    3.120800   -1.415000
C       6.126500   -2.348500    1.557900
C       5.707300   -1.950100    2.821200
C       4.572800   -1.160200    2.950600
C       3.856000   -0.785900    1.822100
C       1.755100   -1.947700   -2.969100
C       1.323000   -2.997900   -3.769100
C       1.793000   -4.284500   -3.537900
C       2.696200   -4.506400   -2.506100
C       3.125600   -3.448100   -1.714300
C      -3.045800    2.030700    1.559000
C      -2.229500    2.924900    0.862200
C      -2.626200    4.229600    0.620800
C      -3.871000    4.664900    1.059000
C      -4.707300    3.788300    1.733600
C      -4.292900    2.486200    1.984900
C       3.996900    3.558600   -1.783500
C       5.305200    3.935500   -2.056100
C       6.317700    3.627500   -1.157600
C       6.016300    2.952100    0.019000
C       4.706900    2.582800    0.287400
C       0.029500    2.416400   -2.388600
C      -0.894900    3.046800   -3.211500
C      -1.118300    4.409800   -3.081500
C      -0.405700    5.137000   -2.135400
C       0.506800    4.496100   -1.309900
H      -1.582800   -0.023300   -2.920800
H      -1.063600   -1.687800   -2.597800
H      -2.579200   -1.383000   -3.443300
H      -2.791100   -2.931800    1.206500
H      -4.221700   -0.145700    3.568600
H      -4.660900   -0.841600    1.996800
H      -3.480600   -1.655300    3.031700
H      -3.809500   -5.161100    1.579000
H       5.083900   -0.630000   -2.609600
H       5.098500    0.912100   -1.731700
H       3.904900    0.622200   -3.006100
H      -5.225200   -6.176900   -0.182500
H      -5.636700   -4.946200   -2.290300
H       1.587900    3.879800    1.598500
H       0.529200    2.481700    1.784400
H       2.229600    2.345200    2.202900
H      -4.643500   -2.724200   -2.639200
H      -5.801900   -1.030400   -0.397800
H      -7.543600    0.715500   -0.374700
H      -6.998500    3.019900   -1.093400
H      -4.694100    3.571100   -1.820100
H      -2.955000    1.847100   -1.808500
H      -1.422100    2.445100    3.714600
H       0.521800    2.617100    5.219100
H       2.074900    0.708200    5.472900
H       1.637900   -1.402300    4.253900
H      -0.337200   -1.585400    2.780400
H       5.763500   -2.265600   -0.545900
H       7.019300   -2.955100    1.449200
H       6.269900   -2.246500    3.699800
H       4.248600   -0.829300    3.931700
H       2.969100   -0.168400    1.927600
H       1.378400   -0.947100   -3.159500
H       0.616400   -2.812300   -4.570900
H       1.456400   -5.108700   -4.156800
H       3.068900   -5.508100   -2.318800
H       3.832700   -3.642400   -0.914600
H      -1.273900    2.592700    0.470100
H      -1.970700    4.895800    0.073800
H      -4.192600    5.682200    0.862300
H      -5.688900    4.115300    2.059500
H      -4.964400    1.812900    2.505700
H       3.212600    3.791900   -2.496400
H       5.537400    4.463700   -2.974600
H       7.341600    3.913100   -1.373200
H       6.804100    2.705900    0.722700
H       4.490600    2.036500    1.199800
H       0.215100    1.352900   -2.500000
H      -1.440600    2.475600   -3.955000
H      -1.841700    4.906700   -3.718400
H      -0.569600    6.204900   -2.037200
H       1.048100    5.077200   -0.569500
C       0.595500   -4.324400    1.803800
C       1.507400   -3.195500    1.377900
O       0.806000   -2.580700    0.280100
C      -0.040800   -3.563500   -0.374800
C       0.073800   -4.830800    0.458400
H       1.120700   -5.089300    2.376600
H      -0.224400   -3.936100    2.414000
H       1.685400   -2.428700    2.127400
H       2.472800   -3.554600    1.013400
H       0.316300   -3.682500   -1.395600
H      -1.051900   -3.159200   -0.372900
H      -0.886600   -5.340700    0.536800
H       0.794400   -5.516200    0.007400
7
Molecule Name
C      -1.920500   -0.211900    0.031400
Sn     -0.000700    0.071600    0.000500
C       1.922800   -0.269800   -0.013900
H      -2.321700   -1.177700   -0.246500
H      -2.575900    0.647700    0.063700
H       2.452200   -0.252300    0.931700
H       2.465100    0.091900   -0.880400
15
Molecule Name
N      -1.381100    1.930900   -0.340600
C      -1.524300    0.568900    0.011100
N      -2.798800    0.309200    0.485600
C       1.627900    0.626600    0.050900
N       1.454200    1.941800    0.137000
N       2.886500    0.181600    0.124700
H      -2.183700    2.505300   -0.095200
H      -2.935500   -0.633300    0.824000
H       0.490900    2.277600    0.174200
H       3.057200   -0.808800    0.090600
H      -3.570400    0.620900   -0.101400
H      -1.111500    2.072500   -1.304600
H       3.685700    0.784800    0.263200
H       2.202200    2.571800    0.400500
Sn     -0.027600   -0.942200   -0.069400
19
Molecule Name
C      -1.635600    0.532600   -0.004400
C       1.635400    0.532600    0.004300
C      -1.660300    1.852700    0.680800
C      -2.987100    0.025600   -0.372200
C       1.660900    1.852800   -0.680700
C       2.986800    0.025100    0.372000
H       2.973700   -0.978000    0.802500
H       3.682800    0.027300   -0.480200
H       3.433800    0.705600    1.113400
H       2.218300    1.795600   -1.628000
H       0.670100    2.246100   -0.906900
H       2.211400    2.584600   -0.069000
H      -2.974300   -0.977200   -0.803400
H      -3.682800    0.027200    0.480300
H      -3.434300    0.706800   -1.112900
H      -2.216700    1.795200    1.628700
H      -0.669200    2.245700    0.906100
H      -2.211200    2.584700    0.070000
Sn     -0.000100   -0.833800    0.000000
19
Molecule Name
C       1.951200    0.000100   -0.000000
C      -1.951300    0.000000   -0.000000
Si     -2.791400    1.606800   -0.352000
Si     -2.791400   -1.606700    0.351900
Si      2.791500   -0.351900   -1.606700
Si      2.791500    0.352000    1.606700
H      -1.772300    2.668400   -0.584600
H      -3.654800    1.518100   -1.560500
H      -3.654600    2.031600    0.783100
H      -1.772400   -2.668300    0.584600
H      -3.655000   -1.518100    1.560500
H      -3.654700   -2.031400   -0.783200
H       1.772500   -0.584800   -2.668400
H       3.654700    0.783200   -2.031400
H       3.655100   -1.560400   -1.517900
H       1.772500    0.584600    2.668400
H       3.654800   -0.783100    2.031300
H       3.654900    1.560600    1.517900
Sn     -0.000000   -0.000100    0.000000
