164 compound_3_C2_B3PW91 Ge 0.281200 1.123600 1.073600 Si -3.944000 2.481700 0.665600 Si 3.508200 3.369400 -0.548600 Si 1.964200 2.348200 -3.244300 Si -2.565900 4.214900 3.037700 C 1.944300 2.598000 -1.342400 H 1.949000 1.564900 -0.953100 C -0.175400 2.770600 0.119500 C -0.694400 5.311500 -1.051800 C -2.339900 3.055400 1.526700 H -1.986400 2.121400 1.988800 C -1.544200 4.764000 -0.090800 H -2.423600 5.321400 0.218000 C 0.694400 3.299800 -0.859300 C -1.321000 3.521100 0.511300 C -0.995200 6.690000 -1.651100 C 0.413900 4.557600 -1.415400 H 1.105400 4.942400 -2.154100 C 0.283100 1.519600 2.916900 H 0.511300 2.562200 3.136000 C 3.419300 3.129800 1.316800 H 3.349700 2.073200 1.594800 H 2.548400 3.641900 1.738300 H 4.313300 3.544800 1.796400 C -0.972600 7.746000 -0.530200 H -1.713000 7.531200 0.245900 H -1.194200 8.739300 -0.937200 H 0.011200 7.788800 -0.051400 C 5.075400 2.534200 -1.181400 H 5.243300 2.717100 -2.247400 H 5.052900 1.452200 -1.021500 H 5.942100 2.931000 -0.640300 C 2.706000 3.787600 -4.218200 H 3.753200 3.966100 -3.953400 H 2.161000 4.727500 -4.090900 H 2.679400 3.540200 -5.286200 C 0.162200 0.690800 4.000800 H 0.296700 1.135900 4.987200 C 3.662900 5.220500 -0.870400 H 4.578500 5.588300 -0.392500 H 2.821400 5.773800 -0.443500 H 3.727200 5.462900 -1.935300 C -2.387500 6.674500 -2.308800 H -2.435300 5.926800 -3.107300 H -2.611400 7.653500 -2.747600 H -3.177800 6.446800 -1.588000 C -1.006300 5.221800 3.368800 H -0.717600 5.821100 2.500700 H -0.155700 4.587700 3.634700 H -1.182300 5.905300 4.207400 C -3.452000 1.195300 -0.610800 H -4.314100 0.872800 -1.203300 H -3.014900 0.318600 -0.122100 H -2.702200 1.602800 -1.296100 C 2.978000 0.822800 -3.680600 H 2.588200 -0.076700 -3.196600 H 4.029000 0.925500 -3.396400 H 2.941700 0.659200 -4.763900 C 0.198900 2.070900 -3.837200 H 0.188300 1.786200 -4.894900 H -0.413800 2.969200 -3.718900 H -0.279600 1.267300 -3.268100 C -2.927900 3.149400 4.548700 H -2.975200 3.770500 5.450300 H -2.143800 2.400000 4.694000 H -3.881500 2.620600 4.459500 C 0.029700 7.099100 -2.716000 H 1.043100 7.162400 -2.306800 H -0.226400 8.087000 -3.113000 H 0.041600 6.399400 -3.558300 C -4.890000 3.837500 -0.239000 H -4.307300 4.245700 -1.070000 H -5.185000 4.663500 0.413100 H -5.805100 3.406300 -0.661900 C -5.094900 1.674200 1.922800 H -5.517900 2.396300 2.628400 H -4.576600 0.901500 2.500200 H -5.932500 1.194600 1.403600 C -3.978600 5.456500 2.856200 H -4.953200 4.970300 2.750000 H -3.842200 6.130400 2.004300 H -4.022000 6.079100 3.757700 Ge -0.281200 -1.123600 1.073600 Si 3.944000 -2.481700 0.665600 Si -3.508200 -3.369400 -0.548600 Si -1.964200 -2.348200 -3.244300 Si 2.565900 -4.214900 3.037700 C -1.944300 -2.598000 -1.342400 H -1.949000 -1.564900 -0.953100 C 0.175400 -2.770600 0.119500 C 0.694400 -5.311500 -1.051800 C 2.339900 -3.055400 1.526700 H 1.986400 -2.121400 1.988800 C 1.544200 -4.764000 -0.090800 H 2.423600 -5.321400 0.218000 C -0.694400 -3.299800 -0.859300 C 1.321000 -3.521100 0.511300 C 0.995200 -6.690000 -1.651100 C -0.413900 -4.557600 -1.415400 H -1.105400 -4.942400 -2.154100 C -0.283100 -1.519600 2.916900 H -0.511300 -2.562200 3.136000 C -3.419300 -3.129800 1.316800 H -3.349700 -2.073200 1.594800 H -2.548400 -3.641900 1.738300 H -4.313300 -3.544800 1.796400 C 0.972600 -7.746000 -0.530200 H 1.713000 -7.531200 0.245900 H 1.194200 -8.739300 -0.937200 H -0.011200 -7.788800 -0.051400 C -5.075400 -2.534200 -1.181400 H -5.243300 -2.717100 -2.247400 H -5.052900 -1.452200 -1.021500 H -5.942100 -2.931000 -0.640300 C -2.706000 -3.787600 -4.218200 H -3.753200 -3.966100 -3.953400 H -2.161000 -4.727500 -4.090900 H -2.679400 -3.540200 -5.286200 C -0.162200 -0.690800 4.000800 H -0.296700 -1.135900 4.987200 C -3.662900 -5.220500 -0.870400 H -4.578500 -5.588300 -0.392500 H -2.821400 -5.773800 -0.443500 H -3.727200 -5.462900 -1.935300 C 2.387500 -6.674500 -2.308800 H 2.435300 -5.926800 -3.107300 H 2.611400 -7.653500 -2.747600 H 3.177800 -6.446800 -1.588000 C 1.006300 -5.221800 3.368800 H 0.717600 -5.821100 2.500700 H 0.155700 -4.587700 3.634700 H 1.182300 -5.905300 4.207400 C 3.452000 -1.195300 -0.610800 H 4.314100 -0.872800 -1.203300 H 3.014900 -0.318600 -0.122100 H 2.702200 -1.602800 -1.296100 C -2.978000 -0.822800 -3.680600 H -2.588200 0.076700 -3.196600 H -4.029000 -0.925500 -3.396400 H -2.941700 -0.659200 -4.763900 C -0.198900 -2.070900 -3.837200 H -0.188300 -1.786200 -4.894900 H 0.413800 -2.969200 -3.718900 H 0.279600 -1.267300 -3.268100 C 2.927900 -3.149400 4.548700 H 2.975200 -3.770500 5.450300 H 2.143800 -2.400000 4.694000 H 3.881500 -2.620600 4.459500 C -0.029700 -7.099100 -2.716000 H -1.043100 -7.162400 -2.306800 H 0.226400 -8.087000 -3.113000 H -0.041600 -6.399400 -3.558300 C 4.890000 -3.837500 -0.239000 H 4.307300 -4.245700 -1.070000 H 5.185000 -4.663500 0.413100 H 5.805100 -3.406300 -0.661900 C 5.094900 -1.674200 1.922800 H 5.517900 -2.396300 2.628400 H 4.576600 -0.901500 2.500200 H 5.932500 -1.194600 1.403600 C 3.978600 -5.456500 2.856200 H 4.953200 -4.970300 2.750000 H 3.842200 -6.130400 2.004300 H 4.022000 -6.079100 3.757700 12 compound_5_C2_B3PW91 Ge 0.073900 1.131700 -0.698700 C -0.166500 1.583400 1.105600 H -0.277400 2.636100 1.355600 C -0.073900 0.705600 2.160700 H -0.133600 1.146400 3.155200 Ge -0.073900 -1.131700 -0.698700 C 0.166500 -1.583400 1.105600 H 0.277400 -2.636100 1.355600 C 0.073900 -0.705600 2.160700 H 0.133600 -1.146400 3.155200 H 0.342200 -2.158900 -1.750400 H -0.342200 2.158900 -1.750400 12 compound_5_C2v_saddle_point_B3PW91 C 0.000000 1.597000 1.105800 C 0.000000 0.707100 2.158900 C 0.000000 -0.707100 2.158900 C 0.000000 -1.597000 1.105800 H 0.000000 2.655200 1.354900 H 0.000000 1.152900 3.152700 H 0.000000 -1.152900 3.152700 H 0.000000 -2.655200 1.354900 Ge 0.000000 -1.123300 -0.696800 H 0.000000 -2.173700 -1.797100 Ge 0.000000 1.123300 -0.696800 H 0.000000 2.173700 -1.797100 14 compound_7_B3PW91 Ge 1.107300 -0.637200 0.297600 C 2.350900 0.746500 -0.249100 H 3.375500 0.412200 -0.406300 C 2.071500 2.040600 -0.395100 H 2.834900 2.758600 -0.684500 Ge -1.120400 -0.654200 -0.271700 C -2.335200 0.825300 0.032200 H -3.371700 0.620800 -0.235300 C -2.024800 2.040900 0.479500 H -2.778700 2.818000 0.582000 H -1.018700 2.310200 0.787200 H 1.072000 2.441500 -0.252100 H -1.825000 -1.950200 0.190300 H 1.756900 -2.003400 -0.015500 12 compound_6_C2v_B3PW91 C 0.000000 1.573400 0.623100 C 0.000000 0.704700 1.701900 C 0.000000 -0.704700 1.701900 C 0.000000 -1.573400 0.623100 H 0.000000 2.635600 0.862900 H 0.000000 1.160100 2.690700 H 0.000000 -1.160100 2.690700 H 0.000000 -2.635600 0.862900 Si 0.000000 -1.084500 -1.095000 H 0.000000 -2.092000 -2.173700 Si 0.000000 1.084500 -1.095000 H 0.000000 2.092000 -2.173700 12 compound_6_C2v_MP2 Si 0.030000 1.092900 -1.098200 C -0.001000 1.576800 0.618000 H -0.001200 2.640000 0.860500 C 0.001000 0.703000 1.713500 H -0.001000 1.165700 2.700000 Si -0.030000 -1.092900 -1.098200 C 0.001000 -1.576800 0.618000 H 0.001200 -2.640000 0.860500 C -0.001000 -0.703000 1.713500 H 0.001000 -1.165700 2.700000 H 0.018100 -2.090800 -2.174600 H -0.018100 2.090800 -2.174600 14 compound_6+H2_MP2 Si 0.090000 1.167200 -1.088500 C 0.012700 1.607900 0.727000 H -0.009500 2.662600 1.002700 C -0.012700 0.736400 1.764800 H -0.049900 1.162400 2.768000 Si -0.090000 -1.167200 -1.088500 C -0.012700 -1.607900 0.727000 H 0.009500 -2.662600 1.002700 C 0.012700 -0.736400 1.764800 H 0.049900 -1.162400 2.768000 H 1.010200 -1.839500 -1.813400 H -1.010200 1.839500 -1.813400 H 1.363900 1.647800 -1.668400 H -1.363900 -1.647800 -1.668400 12 compound_5_C2_MP2 Ge 0.051800 1.144900 -0.702100 C -0.134000 1.594100 1.107000 H -0.209900 2.649900 1.366500 C -0.051800 0.704000 2.177900 H -0.093200 1.153700 3.170400 Ge -0.051800 -1.144900 -0.702100 C 0.134000 -1.594100 1.107000 H 0.209900 -2.649900 1.366500 C 0.051800 -0.704000 2.177900 H 0.093200 -1.153700 3.170400 H 0.251400 -2.183700 -1.779600 H -0.251400 2.183700 -1.779600 14 compound_5+H2_MP2 Ge -0.364400 1.160600 -0.703000 C -0.720300 1.456500 1.197900 H -1.250200 2.365600 1.481300 C -0.364400 0.640100 2.217600 H -0.635200 0.970700 3.221500 Ge 0.364400 -1.160600 -0.703000 C 0.720300 -1.456500 1.197900 H 1.250200 -2.365600 1.481300 C 0.364400 -0.640100 2.217600 H 0.635200 -0.970700 3.221500 H 1.646000 -1.426900 -1.511500 H -1.646000 1.426900 -1.511500 H 0.719600 2.140800 -1.188800 H -0.719600 -2.140800 -1.188800 14 compound_9_MP2 Si 1.042300 -1.028700 0.268700 C 2.148700 0.355900 -0.269100 H 3.065700 0.085500 -0.793900 C 1.908800 1.666000 -0.075600 H 2.587100 2.427800 -0.450700 Si -1.087600 -1.067100 -0.146600 C -2.090900 0.480300 -0.315200 H -2.891200 0.489200 -1.056300 C -1.872900 1.620300 0.367600 H -2.459200 2.516600 0.180200 H -1.124200 1.677900 1.151900 H 1.030100 2.014700 0.457400 H -1.858600 -2.270300 0.219700 H 1.722000 -2.335500 0.337100 16 compound_9+H2_MP2 Si 1.051200 -0.950000 0.530600 C 2.085700 0.524700 0.030700 H 3.091100 0.619900 0.443000 C 1.678100 1.482700 -0.818400 H 2.317400 2.319700 -1.088300 Si -1.051700 -0.949700 -0.530600 C -2.085600 0.525300 -0.030500 H -3.091300 0.621000 -0.442200 C -1.677100 1.483300 0.818200 H -2.315800 2.320700 1.088300 H -0.689200 1.466800 1.271700 H 0.690400 1.466700 -1.272200 H -1.767100 -2.199000 -0.180800 H 1.766400 -2.199200 0.180400 H -0.876700 -0.958000 -2.002100 H 0.876200 -0.958600 2.002100 14 compound_7_MP2 Ge 1.094700 -0.658600 0.299100 C 2.258300 0.760300 -0.345400 H 3.264300 0.476100 -0.652900 C 1.914300 2.057700 -0.410700 H 2.607500 2.808400 -0.781900 Ge -1.142100 -0.678700 -0.258900 C -2.157800 0.974500 -0.105900 H -3.065200 1.053900 -0.705300 C -1.802700 2.038400 0.635700 H -2.395900 2.950100 0.636900 H -0.931500 2.020300 1.284400 H 0.929700 2.407900 -0.113100 H -1.961200 -1.883700 0.247600 H 1.797600 -2.022900 0.155400 16 compound_7+H2_MP2 Ge 1.160800 -0.625200 0.400600 C 2.122800 0.935700 -0.277700 H 3.178200 1.041900 -0.026200 C 1.561900 1.884200 -1.042800 H 2.132900 2.735600 -1.405900 Ge -1.160500 -0.625500 -0.400600 C -2.123400 0.934900 0.277500 H -3.178600 1.041100 0.025400 C -1.563000 1.883400 1.043200 H -2.134300 2.734600 1.406100 H -0.515900 1.847800 1.333200 H 0.514600 1.848600 -1.332300 H -1.877400 -1.909800 0.061500 H 1.877900 -1.908900 -0.063000 H -1.194300 -0.619200 -1.943100 H 1.195800 -0.619400 1.943000 6 compound_10_MP2 Si 0.000000 1.078400 -0.000000 Si 0.000000 -1.078400 -0.000000 H 0.334300 -1.808200 -1.231900 H -0.334300 1.808200 -1.231900 H 0.334300 -1.808100 1.231900 H -0.334300 1.808100 1.231900 8 compound_10+H2_MP2 Si 0.000000 0.000000 1.172600 Si 0.000000 0.000000 -1.172600 H 1.385200 -0.000000 -1.682900 H 0.692600 1.199700 1.682900 H -0.692600 -1.199600 -1.682900 H -1.385200 -0.000000 1.682900 H 0.692600 -1.199600 1.682900 H -0.692600 1.199700 -1.682900 6 compound_8_MP2 Ge 0.000000 1.144000 0.000000 Ge 0.000000 -1.144000 0.000000 H 0.524500 -1.843600 -1.262500 H -0.524500 1.843600 -1.262500 H 0.524100 -1.844400 1.262200 H -0.524100 1.844400 1.262200 8 compound_8+H2_MP2 Ge 0.000000 0.000000 1.224300 Ge 0.000000 0.000000 -1.224300 H 1.440100 -0.000000 -1.758900 H 0.720000 1.247200 1.758900 H -0.720100 -1.247200 -1.758900 H -1.440100 -0.000000 1.758900 H 0.720100 -1.247200 1.758900 H -0.720000 1.247200 -1.758900 156 compound_2_3_21G Ge -0.192600 1.032600 -0.374800 C -0.597300 2.703300 0.589100 C -1.950500 3.105400 0.767500 C -2.217700 4.370500 1.304500 H -3.253900 4.660900 1.436100 C -1.197000 5.263200 1.655000 C 0.124600 4.854900 1.470900 H 0.935900 5.523500 1.727200 C 0.449600 3.593100 0.944000 C -3.116200 2.225600 0.356200 H -2.685500 1.282800 -0.042800 Si -4.043700 2.971300 -1.136700 C -2.787200 3.818600 -2.258300 H -3.259200 4.152600 -3.193100 H -1.969600 3.131100 -2.517400 H -2.341800 4.691100 -1.764100 C -5.372400 4.225800 -0.651900 H -5.873200 4.599500 -1.556800 H -4.947500 5.093200 -0.129600 H -6.140900 3.779600 -0.006300 C -4.867500 1.583800 -2.116000 H -5.658500 1.080900 -1.545900 H -4.132000 0.824900 -2.416500 H -5.319900 1.989900 -3.032300 Si -4.106600 1.613900 1.866900 C -4.895000 2.993400 2.888200 H -5.499900 2.543200 3.689200 H -5.557500 3.632100 2.289800 H -4.135100 3.627500 3.361300 C -5.499700 0.471800 1.296500 H -5.133200 -0.332400 0.645200 H -6.277400 1.023200 0.750400 H -5.975500 0.000900 2.168700 C -2.915300 0.664600 2.976600 H -2.148100 1.339400 3.380100 H -2.395000 -0.122000 2.412600 H -3.439900 0.198300 3.822500 C -1.559600 6.644400 2.219300 C -0.315700 7.510400 2.493400 H 0.341100 7.040000 3.235000 H -0.636000 8.481700 2.889800 H 0.254000 7.687400 1.572900 C -2.454300 7.391900 1.203200 H -3.380400 6.840300 1.008800 H -1.922000 7.521700 0.253600 H -2.718600 8.381300 1.597900 C -2.326000 6.457600 3.549200 H -1.696000 5.937000 4.280000 H -3.237500 5.869600 3.397000 H -2.607000 7.436200 3.959300 C 1.912300 3.243800 0.751300 H 1.947600 2.228800 0.302500 Si 2.737500 4.358800 -0.560900 C 4.145100 3.407300 -1.383900 H 3.786000 2.455300 -1.798700 H 4.965100 3.184900 -0.689500 H 4.559500 3.997200 -2.214300 C 3.444600 5.961500 0.149800 H 4.214900 5.765900 0.907900 H 2.667900 6.588500 0.607200 H 3.911500 6.547300 -0.655300 C 1.462800 4.779800 -1.884700 H 1.924600 5.340700 -2.709600 H 0.641900 5.380500 -1.473000 H 1.023000 3.863300 -2.303000 Si 2.790600 2.994800 2.426600 C 1.922800 1.585000 3.326600 H 2.419700 1.353000 4.279300 H 1.904700 0.674300 2.712100 H 0.879300 1.853100 3.541800 C 4.602200 2.545500 2.132700 H 5.164200 3.381600 1.694800 H 4.701500 1.681900 1.462000 H 5.082500 2.283600 3.086400 C 2.744200 4.514200 3.547800 H 3.325100 4.304500 4.458200 H 1.717000 4.748900 3.854300 H 3.177200 5.404300 3.073700 Ge 0.192600 -1.032600 0.374800 C 0.597300 -2.703300 -0.589100 C 1.950500 -3.105400 -0.767500 C 2.217700 -4.370500 -1.304500 H 3.253900 -4.660900 -1.436100 C 1.197000 -5.263200 -1.655000 C -0.124600 -4.854900 -1.470900 H -0.935900 -5.523500 -1.727200 C -0.449600 -3.593100 -0.944000 C 3.116200 -2.225600 -0.356200 H 2.685500 -1.282800 0.042800 Si 4.043700 -2.971300 1.136700 C 2.787200 -3.818600 2.258300 H 3.259200 -4.152600 3.193100 H 1.969600 -3.131100 2.517400 H 2.341800 -4.691100 1.764100 C 5.372400 -4.225800 0.651900 H 5.873200 -4.599500 1.556800 H 4.947500 -5.093200 0.129600 H 6.140900 -3.779600 0.006300 C 4.867500 -1.583800 2.116000 H 5.658500 -1.080900 1.545900 H 4.132000 -0.824900 2.416500 H 5.319900 -1.989900 3.032300 Si 4.106600 -1.613900 -1.866900 C 4.895000 -2.993400 -2.888200 H 5.499900 -2.543200 -3.689200 H 5.557500 -3.632100 -2.289800 H 4.135100 -3.627500 -3.361300 C 5.499700 -0.471800 -1.296500 H 5.133200 0.332400 -0.645200 H 6.277400 -1.023200 -0.750400 H 5.975500 -0.000900 -2.168700 C 2.915300 -0.664600 -2.976600 H 2.148100 -1.339400 -3.380100 H 2.395000 0.122000 -2.412600 H 3.439900 -0.198300 -3.822500 C 1.559600 -6.644400 -2.219300 C 0.315700 -7.510400 -2.493400 H -0.341100 -7.040000 -3.235000 H 0.636000 -8.481700 -2.889800 H -0.254000 -7.687400 -1.572900 C 2.454300 -7.391900 -1.203200 H 3.380400 -6.840300 -1.008800 H 1.922000 -7.521700 -0.253600 H 2.718600 -8.381300 -1.597900 C 2.326000 -6.457600 -3.549200 H 1.696000 -5.937000 -4.280000 H 3.237500 -5.869600 -3.397000 H 2.607000 -7.436200 -3.959300 C -1.912300 -3.243800 -0.751300 H -1.947600 -2.228800 -0.302500 Si -2.737500 -4.358800 0.560900 C -4.145100 -3.407300 1.383900 H -3.786000 -2.455300 1.798700 H -4.965100 -3.184900 0.689500 H -4.559500 -3.997200 2.214300 C -3.444600 -5.961500 -0.149800 H -4.214900 -5.765900 -0.907900 H -2.667900 -6.588500 -0.607200 H -3.911500 -6.547300 0.655300 C -1.462800 -4.779800 1.884700 H -1.924600 -5.340700 2.709600 H -0.641900 -5.380500 1.473000 H -1.023000 -3.863300 2.303000 Si -2.790600 -2.994800 -2.426600 C -1.922800 -1.585000 -3.326600 H -2.419700 -1.353000 -4.279300 H -1.904700 -0.674300 -2.712100 H -0.879300 -1.853100 -3.541800 C -4.602200 -2.545500 -2.132700 H -5.164200 -3.381600 -1.694800 H -4.701500 -1.681900 -1.462000 H -5.082500 -2.283600 -3.086400 C -2.744200 -4.514200 -3.547800 H -3.325100 -4.304500 -4.458200 H -1.717000 -4.748900 -3.854300 H -3.177200 -5.404300 -3.073700 160 Re-complex_3_21G C 3.467600 1.234100 -0.085400 C 2.748700 0.009900 -0.088900 C 3.465700 -1.220500 -0.109500 C 4.867000 -1.189000 -0.129500 C 5.590400 0.008000 -0.149300 C 4.873300 1.202900 -0.123500 Ge 0.768300 0.012200 -0.084200 Ge -1.102900 -0.006500 1.216300 C -2.772600 -0.012500 0.089700 C -3.468600 1.207000 -0.153700 C -4.810400 1.166200 -0.555900 C -5.504500 -0.037800 -0.724400 C -4.811700 -1.227000 -0.497100 C -3.465000 -1.239300 -0.093800 C -2.820400 2.560900 0.098000 Si -2.885600 3.762100 -1.383500 C -1.969400 2.998000 -2.846100 C -6.982800 -0.010600 -1.140100 C -7.100000 0.634000 -2.540600 C -2.816300 -2.581500 0.205800 Si -2.750400 -3.746100 -1.300800 C -4.419200 -4.226900 -2.049200 C 2.780700 -2.575700 -0.105400 Si 2.878100 -3.342800 1.647300 C 2.015100 -2.192600 2.861600 C 7.125200 -0.031000 -0.190000 C 7.644500 -0.714100 1.096300 C 2.790900 2.590400 -0.021000 Si 2.917700 3.270400 1.768400 C 4.703700 3.408300 2.364300 Si -3.395500 3.287000 1.775500 C -1.977800 4.275800 2.537000 C -3.850500 1.911400 2.977200 C -4.908400 4.408200 1.600100 C -4.610400 4.215100 -2.019000 C -2.039400 5.384400 -0.909000 C -7.599300 -1.421000 -1.201800 C -7.788800 0.822300 -0.116400 Si -3.485300 -3.330700 1.834400 C -3.983900 -1.955500 3.019100 C -2.118300 -4.340900 2.659500 C -4.987300 -4.448300 1.565100 C -1.771900 -2.898600 -2.672500 C -1.881800 -5.350800 -0.807600 Si 3.296200 -3.703200 -1.559500 C 1.875600 -4.875400 -1.967900 C 3.648900 -2.670100 -3.100400 C 4.824000 -4.767400 -1.217800 C 4.652700 -3.570300 2.247400 C 2.021800 -5.027800 1.675500 C 7.744500 1.377000 -0.273200 C 7.584400 -0.835100 -1.428400 Si 3.308700 3.800200 -1.406400 C 3.728700 2.863200 -2.991900 C 1.853700 4.942300 -1.776900 C 4.797600 4.882400 -0.967200 C 2.031200 2.088100 2.934000 C 2.113200 4.976400 1.887500 H -5.326500 2.106500 -0.711400 H -5.318700 -2.177400 -0.602100 H -1.734700 2.381100 0.233800 H -4.157900 2.337600 3.943100 H -2.997300 1.243900 3.157700 H -4.675100 1.301400 2.588800 H -5.208200 4.778100 2.591300 H -5.762400 3.858000 1.181300 H -4.715500 5.280800 0.962500 H -1.682900 5.135200 1.922100 H -1.095600 3.633900 2.671100 H -2.269400 4.654200 3.527500 H -4.502900 5.035800 -2.744400 H -5.288400 4.559500 -1.228700 H -5.082800 3.374500 -2.542600 H -1.019400 5.221500 -0.537800 H -2.600700 5.925000 -0.135400 H -1.972500 6.038300 -1.790500 H -2.460600 2.066300 -3.160000 H -0.924500 2.768200 -2.599600 H -1.973600 3.683700 -3.705500 H -7.085400 -2.048300 -1.939800 H -8.652500 -1.339600 -1.497900 H -7.555800 -1.914600 -0.223100 H -7.427100 1.855400 -0.073200 H -7.700500 0.381400 0.883500 H -8.848400 0.839600 -0.402600 H -6.544300 0.042200 -3.277600 H -6.694800 1.651700 -2.536600 H -8.153700 0.679400 -2.845700 H -1.744100 -2.385600 0.412600 H -1.225800 -3.720300 2.822800 H -1.820800 -5.214600 2.066100 H -2.458300 -4.701500 3.641200 H -4.744000 -5.332400 0.960600 H -5.806100 -3.909400 1.069500 H -5.362600 -4.801400 2.536600 H -4.319900 -2.375400 3.978100 H -4.795900 -1.346700 2.602700 H -3.136300 -1.286500 3.219200 H -1.623600 -3.574600 -3.526700 H -0.786200 -2.569000 -2.318900 H -2.315200 -2.014500 -3.034300 H -2.494800 -5.945500 -0.116800 H -0.915100 -5.161100 -0.323500 H -1.693100 -5.965200 -1.699500 H -4.240200 -4.963100 -2.847400 H -4.921800 -3.363400 -2.502800 H -5.102400 -4.685100 -1.323500 H 5.398300 -2.134200 -0.134100 H 5.401800 2.147400 -0.130100 H 1.694300 -2.402300 -0.247100 H 4.040700 -3.309700 -3.904200 H 2.726000 -2.201800 -3.467900 H 4.387000 -1.883600 -2.897300 H 5.015600 -5.402900 -2.094900 H 5.728100 -4.169500 -1.042700 H 4.682200 -5.429600 -0.353600 H 1.647200 -5.558500 -1.140700 H 0.958800 -4.321100 -2.208700 H 2.136600 -5.485900 -2.844700 H 4.635600 -4.006500 3.257100 H 5.240700 -4.237500 1.605000 H 5.170500 -2.604700 2.310100 H 0.985100 -4.961900 1.319400 H 2.546700 -5.773000 1.063000 H 1.992300 -5.406400 2.707400 H 2.542500 -1.231800 2.929700 H 0.981100 -1.978000 2.558000 H 1.993600 -2.636900 3.867300 H 7.483600 1.979100 0.605500 H 8.836900 1.284700 -0.309600 H 7.415100 1.901500 -1.178600 H 7.206400 -1.863000 -1.397700 H 7.221000 -0.358900 -2.346900 H 8.680700 -0.872200 -1.461600 H 7.337400 -0.141000 1.979200 H 7.249600 -1.731400 1.189800 H 8.740700 -0.766600 1.074900 H 1.702700 2.431800 -0.163700 H 0.972000 4.367000 -2.090300 H 1.568200 5.546000 -0.906400 H 2.109800 5.632200 -2.594000 H 4.627200 5.469500 -0.055700 H 5.716100 4.297300 -0.825500 H 4.981500 5.589600 -1.789400 H 4.157200 3.549200 -3.736400 H 4.455300 2.061900 -2.805100 H 2.823400 2.421200 -3.429100 H 2.045200 2.476300 3.962800 H 0.984500 1.928700 2.640600 H 2.522600 1.106100 2.938500 H 2.624500 5.724700 1.268000 H 1.056900 4.947200 1.588500 H 2.151400 5.324400 2.929900 H 4.706700 3.782500 3.398700 H 5.189500 2.424000 2.363200 H 5.309600 4.094100 1.759000 C 0.052000 0.121000 -2.356500 C 1.175400 0.125400 -2.840100 H -1.010600 0.126100 -2.224300 H 2.193600 0.122800 -3.153300 160 INT-1_3_21G C -3.384400 -1.161700 0.341300 C -2.702900 -0.046100 -0.201800 C -3.438300 1.139900 -0.463800 C -4.818000 1.165600 -0.210400 C -5.509700 0.055300 0.283400 C -4.772000 -1.095500 0.557200 Ge -0.764700 -0.181300 -0.637500 Ge 0.965000 -0.034700 1.138000 C 2.722200 0.015100 0.168100 C 3.390800 -1.090500 -0.411800 C 4.750100 -0.968300 -0.734100 C 5.476500 0.207000 -0.508800 C 4.803200 1.291600 0.057400 C 3.444000 1.211100 0.392600 C 2.693800 -2.423500 -0.657100 Si 2.991700 -3.109400 -2.420700 C 3.059000 -1.683700 -3.649500 C 6.962400 0.265100 -0.893700 C 7.098500 0.027000 -2.415500 C 2.766700 2.406300 1.050800 Si 2.623900 3.897000 -0.139100 C 4.280000 4.443600 -0.859800 C -2.794500 2.400400 -1.025500 Si -2.634400 3.718200 0.338200 C -1.431200 3.037400 1.625800 C -7.026200 0.137800 0.513300 C -7.315400 1.209200 1.589800 C -2.680600 -2.465100 0.686800 Si -2.688100 -2.771600 2.571600 C -4.402100 -3.035200 3.321500 Si 3.081100 -3.615900 0.782700 C 2.340600 -5.328200 0.483000 C 2.332900 -2.913300 2.366800 C 4.933500 -3.801800 1.075000 C 4.573400 -4.139000 -2.598700 C 1.573400 -4.268600 -2.887300 C 7.600000 1.626900 -0.558600 C 7.734700 -0.831500 -0.124900 Si 3.451000 2.711700 2.813800 C 3.955100 1.061800 3.570000 C 2.087800 3.469400 3.876400 C 4.948400 3.864900 2.808400 C 1.506500 3.378500 -1.563100 C 1.875900 5.379300 0.760800 Si -3.551900 2.917200 -2.698500 C -2.241300 3.839000 -3.702800 C -4.063000 1.373300 -3.649500 C -5.049400 4.063200 -2.530500 C -4.259500 4.119200 1.208200 C -1.945300 5.336700 -0.354800 C -7.617200 -1.201500 0.991500 C -7.725800 0.527900 -0.809200 Si -3.248500 -3.884000 -0.461000 C -3.736000 -3.171800 -2.135900 C -1.808200 -5.083600 -0.696100 C -4.708800 -4.881700 0.210600 C -1.948000 -1.267200 3.431900 C -1.655500 -4.307500 2.959300 H 5.253900 -1.828000 -1.162700 H 5.332000 2.215500 0.253100 H 1.599900 -2.246200 -0.620300 H 2.503300 -3.597600 3.211100 H 1.244900 -2.767800 2.284500 H 2.789800 -1.948500 2.624800 H 5.102700 -4.435000 1.958100 H 5.398800 -2.825900 1.262800 H 5.448400 -4.269000 0.225900 H 2.814400 -5.836500 -0.367300 H 1.261000 -5.280200 0.287700 H 2.492700 -5.955900 1.372900 H 4.606300 -4.560700 -3.614300 H 4.597200 -4.978500 -1.891200 H 5.490300 -3.552000 -2.458500 H 0.593000 -3.817200 -2.691600 H 1.619400 -5.214700 -2.333100 H 1.625800 -4.506600 -3.959700 H 3.923500 -1.036100 -3.456500 H 2.156500 -1.064600 -3.566300 H 3.130200 -2.060800 -4.679800 H 7.106100 2.441900 -1.101200 H 8.656100 1.610500 -0.854900 H 7.550500 1.832500 0.517800 H 7.336800 -1.827000 -0.349100 H 7.655600 -0.663000 0.955700 H 8.795100 -0.809700 -0.407700 H 6.557900 0.803300 -2.969800 H 6.688200 -0.948500 -2.698600 H 8.156600 0.057100 -2.706700 H 1.692300 2.148400 1.222800 H 1.199600 2.822000 3.885200 H 1.781200 4.461800 3.522600 H 2.435300 3.574600 4.914400 H 4.718300 4.844200 2.368300 H 5.789000 3.429300 2.251900 H 5.287200 4.033400 3.840800 H 4.274500 1.191800 4.613700 H 4.779500 0.605200 3.007600 H 3.109600 0.360000 3.555800 H 1.451400 4.165700 -2.328400 H 0.485200 3.166000 -1.220400 H 1.892000 2.464400 -2.034600 H 2.541400 5.752000 1.551400 H 0.907400 5.138600 1.217500 H 1.713700 6.201100 0.048300 H 4.119100 5.340500 -1.476300 H 4.711100 3.666200 -1.502300 H 5.012300 4.700000 -0.083600 H -5.357800 2.083300 -0.418100 H -5.269300 -1.977200 0.941300 H -1.748300 2.153100 -1.279700 H -4.385400 1.626100 -4.669600 H -3.222700 0.668800 -3.715100 H -4.886300 0.853900 -3.143000 H -5.385700 4.376900 -3.529600 H -5.897000 3.566200 -2.040300 H -4.810700 4.970700 -1.959600 H -1.925200 4.770500 -3.216300 H -1.347100 3.218500 -3.852300 H -2.639300 4.095800 -4.695100 H -4.075400 4.881400 1.979700 H -5.013500 4.520500 0.518000 H -4.678000 3.233000 1.700300 H -0.984300 5.189300 -0.864600 H -2.639800 5.800200 -1.068400 H -1.783000 6.052700 0.463800 H -1.725700 2.024300 1.932700 H -0.412600 2.984000 1.216300 H -1.395500 3.669800 2.524100 H -7.183300 -1.507300 1.951100 H -8.699700 -1.088500 1.127600 H -7.445300 -1.994200 0.253000 H -7.370100 1.497200 -1.175300 H -7.528100 -0.226900 -1.579700 H -8.810100 0.595700 -0.651900 H -6.835500 0.932100 2.536200 H -6.933500 2.188800 1.282200 H -8.397400 1.293100 1.755000 H -1.608000 -2.347600 0.437900 H -0.948500 -4.580500 -1.158000 H -1.474700 -5.519300 0.254900 H -2.105600 -5.909500 -1.358100 H -4.462400 -5.392900 1.151000 H -5.594800 -4.256400 0.382200 H -4.985000 -5.651900 -0.524500 H -3.868400 -3.971300 -2.878700 H -4.674500 -2.607500 -2.063000 H -2.968100 -2.477800 -2.501500 H -1.872600 -1.435000 4.515800 H -0.946000 -1.017700 3.056700 H -2.587200 -0.388600 3.267100 H -2.117600 -5.218400 2.554600 H -0.639600 -4.233800 2.549100 H -1.566900 -4.434000 4.047800 H -4.283700 -3.276300 4.388500 H -5.008100 -2.122900 3.253700 H -4.956700 -3.857300 2.853500 C -0.394300 0.289700 -2.534200 C -0.484900 -1.021200 -2.425500 H -0.234300 1.041000 -3.298600 H -0.440300 -1.895800 -3.062800 160 INT-2_3_21G C -3.253300 1.403700 -0.639600 C -2.969000 0.188100 0.012800 C -4.029000 -0.636300 0.457700 C -5.351800 -0.232400 0.251300 C -5.657800 0.975000 -0.392600 C -4.598600 1.773600 -0.827400 Ge -1.149600 -0.484300 0.434800 Ge 1.111500 0.477700 0.342700 C 2.947700 -0.205900 0.062100 C 4.001900 0.628900 0.507900 C 5.327100 0.215100 0.335700 C 5.643700 -1.001500 -0.285000 C 4.592000 -1.801600 -0.734400 C 3.244900 -1.426400 -0.580000 C 3.709400 1.972400 1.160000 Si 4.338700 2.069800 2.964700 C 4.324800 0.345800 3.724700 C 7.115700 -1.401500 -0.464000 C 7.810200 -1.436400 0.917200 C 2.159400 -2.352900 -1.099800 Si 2.028100 -3.900400 0.012400 C 3.615700 -4.921300 0.074900 C -3.737500 -1.945100 1.177300 Si -4.138700 -3.433100 0.046300 C -3.178200 -3.219100 -1.560000 C -7.127100 1.370900 -0.601100 C -7.807000 0.316100 -1.504500 C -2.156500 2.348200 -1.096800 Si -2.012600 2.377300 -2.994100 C -3.620200 2.854300 -3.861800 Si 4.143800 3.401800 -0.033900 C 3.673600 5.054800 0.749700 C 3.160300 3.155800 -1.622700 C 5.971100 3.454700 -0.497800 C 6.086800 2.776000 3.105000 C 3.176700 3.192200 3.943800 C 7.271200 -2.789400 -1.114200 C 7.813400 -0.361400 -1.370800 Si 2.252100 -2.569300 -2.993200 C 2.779900 -0.923700 -3.748900 C 0.543800 -3.021900 -3.657800 C 3.459900 -3.915100 -3.547000 C 1.648700 -3.328900 1.767900 C 0.632900 -5.018200 -0.596600 Si -4.371800 -1.967700 2.982100 C -3.133600 -2.946500 4.018900 C -4.485600 -0.206100 3.638700 C -6.073100 -2.772200 3.159500 C -5.968500 -3.557600 -0.396400 C -3.602400 -5.031700 0.897700 C -7.272600 2.749100 -1.274000 C -7.845900 1.424700 0.766800 Si -2.205300 3.992900 -0.132300 C -2.794100 3.652500 1.624400 C -0.447300 4.679700 -0.031100 C -3.315500 5.302600 -0.924900 C -1.529300 0.636700 -3.537600 C -0.671900 3.589800 -3.542800 H 6.123000 0.862400 0.689600 H 4.803600 -2.745100 -1.219900 H 2.606300 2.070800 1.272800 H 3.396000 3.945300 -2.350700 H 2.078100 3.181800 -1.435600 H 3.399600 2.186400 -2.079500 H 6.147500 4.319700 -1.154100 H 6.261500 2.552800 -1.050700 H 6.630100 3.556700 0.373100 H 4.266000 5.265700 1.650100 H 2.610600 5.082000 1.024800 H 3.852400 5.870600 0.034600 H 6.385800 2.801400 4.162900 H 6.146700 3.801100 2.715900 H 6.823800 2.163900 2.568200 H 2.141700 2.825100 3.911100 H 3.179000 4.220800 3.560200 H 3.485400 3.226900 4.998600 H 5.036600 -0.313000 3.210900 H 3.332800 -0.117200 3.642300 H 4.596900 0.387300 4.789100 H 6.800100 -3.569200 -0.503900 H 8.339000 -3.023500 -1.205300 H 6.832200 -2.808400 -2.119100 H 7.751400 0.642600 -0.937200 H 7.337300 -0.341900 -2.358400 H 8.872500 -0.622100 -1.494600 H 7.322200 -2.171300 1.568300 H 7.768600 -0.457400 1.406700 H 8.864600 -1.716900 0.796800 H 1.180300 -1.858200 -0.941600 H -0.211200 -2.282300 -3.358600 H 0.208200 -4.006300 -3.307900 H 0.566900 -3.047000 -4.757100 H 3.175700 -4.900600 -3.153800 H 4.490700 -3.706800 -3.232200 H 3.455700 -3.981200 -4.644800 H 2.768600 -0.971400 -4.847000 H 3.792200 -0.651000 -3.423900 H 2.101100 -0.117700 -3.436500 H 1.488700 -4.187300 2.436100 H 0.753100 -2.695200 1.799100 H 2.482300 -2.735600 2.167700 H 0.863300 -5.467700 -1.571900 H -0.309500 -4.463600 -0.694700 H 0.468900 -5.837700 0.118100 H 3.447100 -5.811500 0.698800 H 4.433100 -4.346000 0.527900 H 3.941100 -5.264700 -0.915300 H -6.152000 -0.871400 0.611400 H -4.801000 2.715200 -1.321800 H -2.629900 -2.030900 1.296400 H -4.746000 -0.206400 4.706900 H -3.536200 0.330300 3.516000 H -5.251000 0.362800 3.095600 H -6.381200 -2.744800 4.214800 H -6.837000 -2.238300 2.578200 H -6.072400 -3.822200 2.838400 H -3.050500 -3.988400 3.682400 H -2.132300 -2.496200 3.967200 H -3.441600 -2.958100 5.074200 H -6.124800 -4.446400 -1.025500 H -6.616300 -3.652700 0.483500 H -6.290400 -2.681600 -0.973500 H -2.535300 -5.007800 1.158300 H -4.173000 -5.217500 1.817500 H -3.762400 -5.887900 0.226900 H -3.479500 -2.291700 -2.064900 H -2.096200 -3.163000 -1.380800 H -3.365700 -4.058200 -2.244800 H -6.807200 2.757400 -2.266800 H -8.338700 2.977600 -1.394600 H -6.821000 3.538800 -0.660800 H -7.815600 0.451900 1.269500 H -7.367800 2.167000 1.417000 H -8.897500 1.705800 0.624100 H -7.313400 0.282400 -2.483100 H -7.750000 -0.681000 -1.054200 H -8.864500 0.571900 -1.650800 H -1.187000 1.911000 -0.784800 H 0.225200 3.928600 0.408200 H -0.046800 4.958000 -1.014100 H -0.423200 5.572400 0.610600 H -2.997700 5.541800 -1.948900 H -4.365000 4.981500 -0.960800 H -3.273300 6.230600 -0.336400 H -2.724900 4.558200 2.243700 H -3.834000 3.303000 1.636000 H -2.175300 2.871000 2.087000 H -1.476500 0.554900 -4.632100 H -0.545800 0.362700 -3.129500 H -2.261300 -0.097000 -3.173300 H -0.928800 4.626600 -3.286100 H 0.297700 3.356200 -3.083300 H -0.545500 3.537700 -4.633800 H -3.458400 2.862800 -4.949700 H -4.418600 2.133300 -3.645400 H -3.968300 3.853800 -3.569000 C -0.679700 0.058200 2.336200 C 0.610300 0.449300 2.307400 H -1.280800 -0.006200 3.246000 H 1.194700 0.715600 3.190000 164 INT-2prime_3_21G C -3.136600 -1.375200 0.788500 C -2.916000 -0.174500 0.050900 C -4.035700 0.497200 -0.530900 C -5.298700 -0.099600 -0.449000 C -5.509800 -1.329100 0.189800 C -4.423100 -1.937300 0.816800 Ge -1.047400 0.238000 -0.380000 C -0.693100 1.097200 -2.101200 C 0.581500 0.679100 -2.316800 Ge 1.295900 -0.644700 -0.904100 C 2.882000 0.373700 -0.151000 C 2.873200 1.652200 0.461800 C 4.088200 2.279000 0.797900 C 5.325200 1.675300 0.581200 C 5.326700 0.398500 0.014100 C 4.144400 -0.261300 -0.351100 C 1.601500 2.389300 0.850900 Si 1.448300 4.126100 0.085000 C 2.177900 5.507900 1.153300 C 4.286500 -1.665300 -0.935900 Si 4.992800 -1.624100 -2.705400 C 6.645300 -0.720300 -2.836100 C 6.652800 2.346900 0.962300 C 7.532100 2.496400 -0.299800 C -3.928700 1.845100 -1.218900 Si -4.760200 3.199200 -0.147300 C -6.612100 2.955900 0.122000 C -6.913800 -1.949100 0.196800 C -7.874500 -1.012400 0.965500 C -2.028900 -2.108500 1.520200 Si -2.340700 -2.129100 3.408100 C -3.891100 -3.066400 3.946400 Si -4.418700 1.765300 -3.071000 C -3.525200 3.136600 -4.017500 C -3.921200 0.091400 -3.778400 C -6.269000 2.010000 -3.380500 C -7.403700 -2.117100 -1.260300 C -6.939300 -3.331900 0.875300 Si -1.586400 -3.759500 0.649100 C 0.232600 -4.135500 0.962000 C -2.618500 -5.220700 1.259200 C -1.879000 -3.541900 -1.198700 Si 5.057800 -2.876500 0.321500 C 4.484300 -4.632800 -0.071000 C 4.446900 -2.424900 2.047700 C 6.951200 -2.868000 0.327400 C 7.381900 1.465900 2.003200 C 6.448200 3.745900 1.573700 Si 1.361000 2.196600 2.734100 C -0.243700 3.030200 3.282100 C 2.768800 2.920000 3.760700 C 1.269500 0.351100 3.112100 C -4.490700 4.890100 -0.942000 C -3.951900 3.176600 1.554500 C -2.547600 -0.345500 3.982600 C -0.858600 -2.910200 4.277000 C 5.233000 -3.370400 -3.382500 C 3.751800 -0.709000 -3.794100 C 2.287400 4.159800 -1.601400 C -0.389700 4.503900 -0.150800 H -6.136800 0.415300 -0.904600 H -4.554800 -2.876200 1.337600 H -2.868400 2.151900 -1.218800 H -4.429000 3.910000 2.220100 H -2.884100 3.423100 1.497200 H -4.046100 2.185800 2.018300 H -6.997500 3.815300 0.690800 H -6.808500 2.053500 0.713900 H -7.184300 2.891900 -0.811400 H -5.036200 4.993100 -1.889500 H -3.426100 5.075400 -1.137600 H -4.848900 5.678300 -0.264200 H -6.458600 1.962200 -4.462800 H -6.618600 2.987800 -3.023900 H -6.881300 1.232300 -2.905500 H -2.434700 3.081500 -3.902400 H -3.844300 4.135700 -3.694400 H -3.749100 3.044500 -5.090500 H -4.485400 -0.718600 -3.297900 H -2.853200 -0.110800 -3.624200 H -4.122200 0.055500 -4.858700 H -6.275600 -4.038000 0.361300 H -7.960300 -3.730600 0.834100 H -6.643700 -3.265400 1.929000 H -7.913800 -0.021100 0.501700 H -7.541600 -0.897400 2.003900 H -8.886700 -1.436400 0.965300 H -6.724900 -2.774400 -1.816400 H -7.454400 -1.152700 -1.777000 H -8.406500 -2.562900 -1.263000 H -1.098300 -1.515700 1.432000 H 0.082400 -2.423200 3.989000 H -0.770200 -3.981900 4.052500 H -0.970400 -2.806400 5.365900 H -3.925100 -4.095400 3.568000 H -4.804600 -2.547600 3.628900 H -3.903900 -3.115100 5.045600 H -2.750900 -0.306300 5.062400 H -3.389100 0.130600 3.461500 H -1.648000 0.251300 3.786800 H -1.495400 -4.405400 -1.759000 H -1.355900 -2.651900 -1.577200 H -2.946900 -3.423000 -1.423300 H 0.453200 -4.294700 2.025200 H 0.856300 -3.305500 0.600000 H 0.530800 -5.039800 0.412100 H -2.345300 -6.118700 0.686100 H -3.695600 -5.056700 1.122900 H -2.435100 -5.435700 2.320500 H 6.268400 -0.111400 -0.158000 H 4.043300 3.261400 1.251000 H 3.266300 -2.076000 -1.075600 H 4.130500 -0.600600 -4.820400 H 2.794400 -1.247100 -3.843600 H 3.562400 0.295700 -3.392000 H 6.991200 -0.750500 -3.879900 H 6.545200 0.332300 -2.543500 H 7.424300 -1.179700 -2.213400 H 6.006600 -3.921300 -2.830300 H 4.301400 -3.950200 -3.341700 H 5.549600 -3.316500 -4.434500 H 7.319700 -3.655800 1.000500 H 7.366400 -3.061600 -0.670900 H 7.355400 -1.912500 0.686800 H 3.388600 -4.688900 -0.126100 H 4.885800 -4.999300 -1.023600 H 4.816600 -5.319300 0.721400 H 4.794700 -1.424300 2.334300 H 3.348400 -2.420400 2.077000 H 4.807100 -3.146900 2.794200 H 5.855300 3.694800 2.494800 H 7.427200 4.174700 1.821000 H 5.950800 4.418500 0.864000 H 7.729500 1.522700 -0.760300 H 7.028400 3.132500 -1.037500 H 8.492800 2.957100 -0.034800 H 6.768100 1.361400 2.905900 H 7.579700 0.465500 1.602700 H 8.340200 1.925400 2.278500 H 0.752500 1.826600 0.421200 H -0.871300 3.698400 -0.723300 H -0.916900 4.608600 0.806300 H -0.518900 5.440900 -0.711300 H 1.705200 5.554300 2.143600 H 3.260200 5.394100 1.299900 H 2.011800 6.476400 0.659200 H 2.196300 5.152500 -2.065000 H 3.353200 3.912100 -1.516000 H 1.825500 3.422000 -2.270700 H 1.111500 0.174100 4.185400 H 0.446000 -0.125000 2.562300 H 2.201000 -0.146900 2.813000 H -0.213200 4.116400 3.119500 H -1.116100 2.633100 2.746400 H -0.409300 2.860600 4.355700 H 2.552000 2.763800 4.827800 H 3.717600 2.419700 3.530800 H 2.898000 3.998000 3.600000 H 1.106900 0.879000 -3.257500 H -1.304900 1.633600 -2.823600 C 1.327600 -4.178500 -2.821100 C 1.418900 -5.192600 -3.469700 H 1.246600 -3.277500 -2.247300 H 1.498000 -6.085200 -4.042400 164 TS-1_3_21G C 3.218200 -1.425900 -0.652000 C 2.990600 -0.182000 -0.013100 C 4.104000 0.539500 0.500200 C 5.380700 -0.031100 0.430400 C 5.606900 -1.294700 -0.130300 C 4.514200 -1.968300 -0.676300 Ge 1.147600 0.561600 0.077000 C 0.716900 1.257700 1.920600 C -0.570500 0.922700 2.145100 Ge -1.148200 -0.348100 0.665300 C -3.000100 0.256100 0.132800 C -3.196400 1.493900 -0.524600 C -4.505500 1.918300 -0.821000 C -5.624100 1.146800 -0.509600 C -5.411300 -0.082200 0.124800 C -4.128200 -0.538500 0.455700 C -2.045800 2.376000 -0.972300 Si -2.063600 4.135300 -0.241700 C -2.950800 5.409200 -1.323700 C -4.000900 -1.881000 1.165800 Si -4.708300 -1.776600 2.939200 C -6.586500 -1.587500 3.013900 C -7.056000 1.595300 -0.836700 C -7.857000 1.735800 0.478100 C 3.967200 1.925700 1.115500 Si 4.667700 3.262800 -0.054100 C 6.498400 3.043900 -0.453500 C 7.026900 -1.878800 -0.142500 C 7.940600 -0.971200 -0.998200 C 2.100300 -2.203400 -1.323600 Si 2.284800 -2.097000 -3.223000 C 3.865900 -2.900400 -3.871300 Si 4.496000 1.943000 2.953100 C 3.604500 3.345900 3.856300 C 4.001200 0.301600 3.735200 C 6.351000 2.206900 3.211600 C 7.565900 -1.941300 1.305500 C 7.067800 -3.301200 -0.732400 Si 1.831900 -3.931100 -0.557500 C -0.008500 -4.342400 -0.691300 C 2.785300 -5.324400 -1.410600 C 2.342500 -3.897000 1.255300 Si -4.523100 -3.313000 0.012100 C -3.755500 -4.933100 0.611300 C -3.876800 -2.939000 -1.718200 C -6.390200 -3.586500 -0.099500 C -7.727500 0.538800 -1.744600 C -7.091500 2.950100 -1.569300 Si -1.816200 2.172900 -2.854500 C -0.301900 3.140500 -3.435000 C -3.308900 2.745300 -3.859100 C -1.568800 0.335500 -3.197200 C 4.420900 4.978800 0.697100 C 3.698900 3.171800 -1.668900 C 2.357900 -0.279500 -3.713500 C 0.802800 -2.926300 -4.050300 C -4.253900 -3.326400 3.919600 C -3.954300 -0.269700 3.784500 C -2.890400 4.110200 1.452000 C -0.267400 4.683700 -0.032600 H 6.216100 0.535100 0.827300 H 4.651600 -2.940100 -1.134300 H 2.893200 2.180200 1.147300 H 4.065000 3.915100 -2.391200 H 2.629700 3.365500 -1.502200 H 3.791300 2.178400 -2.126100 H 6.822400 3.858400 -1.117800 H 6.677700 2.095400 -0.974500 H 7.131800 3.072300 0.442200 H 5.029700 5.128900 1.598600 H 3.369100 5.153400 0.962100 H 4.712800 5.746900 -0.033600 H 6.565700 2.234000 4.290000 H 6.696200 3.156100 2.780400 H 6.949700 1.395400 2.777900 H 2.513300 3.273600 3.752500 H 3.909600 4.333900 3.489200 H 3.838600 3.299600 4.930000 H 4.573800 -0.524900 3.295300 H 2.937100 0.091400 3.562300 H 4.181900 0.310900 4.819500 H 6.438800 -3.987700 -0.152400 H 8.099500 -3.672400 -0.701100 H 6.735600 -3.307700 -1.777500 H 7.962500 0.049800 -0.602000 H 7.576000 -0.934200 -2.031700 H 8.965100 -1.365500 -0.999700 H 6.922500 -2.579700 1.922500 H 7.601200 -0.944700 1.758500 H 8.581800 -2.357200 1.306800 H 1.142900 -1.686400 -1.116200 H -0.143100 -2.477400 -3.718300 H 0.762700 -4.003100 -3.837000 H 0.865700 -2.804600 -5.141200 H 3.938100 -3.966600 -3.625400 H 4.754100 -2.391600 -3.475100 H 3.888600 -2.807000 -4.967200 H 2.459100 -0.171400 -4.802900 H 3.224700 0.201000 -3.241100 H 1.460800 0.268700 -3.399600 H 2.103500 -4.850400 1.748500 H 1.832000 -3.090200 1.797100 H 3.422100 -3.723500 1.349600 H -0.310600 -4.534000 -1.729300 H -0.618500 -3.504400 -0.323200 H -0.248800 -5.240600 -0.103800 H 2.565000 -6.274400 -0.901600 H 3.871900 -5.172100 -1.367400 H 2.498200 -5.437500 -2.464500 H -6.259700 -0.705900 0.381300 H -4.629300 2.874400 -1.314900 H -2.919300 -2.066500 1.328400 H -4.324300 -0.173700 4.815200 H -2.861000 -0.354600 3.819000 H -4.208000 0.648600 3.239000 H -6.900400 -1.606100 4.068200 H -6.912000 -0.629600 2.590200 H -7.117500 -2.394600 2.494700 H -4.764300 -4.220600 3.537900 H -3.172000 -3.511300 3.899200 H -4.552100 -3.197200 4.970300 H -6.588600 -4.380900 -0.834200 H -6.820300 -3.906700 0.858200 H -6.923600 -2.688300 -0.434800 H -2.659200 -4.874900 0.635800 H -4.105200 -5.216600 1.611800 H -4.024600 -5.744400 -0.080700 H -4.381800 -2.059000 -2.137000 H -2.799300 -2.726800 -1.698800 H -4.045900 -3.789500 -2.393600 H -6.547100 2.902100 -2.520200 H -8.134200 3.213700 -1.785600 H -6.660300 3.746800 -0.950800 H -7.879700 0.789000 1.028700 H -7.399400 2.497900 1.119900 H -8.890200 2.033600 0.257000 H -7.165800 0.431000 -2.680000 H -7.769500 -0.438600 -1.251500 H -8.753100 0.849500 -1.982200 H -1.107700 1.948000 -0.571800 H 0.278300 3.947300 0.574100 H 0.248600 4.779400 -0.997000 H -0.212900 5.655300 0.478700 H -2.489100 5.497300 -2.316400 H -4.011600 5.161500 -1.464200 H -2.902100 6.397400 -0.843400 H -2.893100 5.112300 1.903900 H -3.928100 3.760000 1.379300 H -2.355200 3.429500 2.127400 H -1.370700 0.150900 -4.262300 H -0.720700 -0.056800 -2.619200 H -2.463400 -0.231300 -2.908100 H -0.429800 4.222500 -3.293700 H 0.602200 2.831800 -2.893000 H -0.127000 2.962800 -4.505800 H -3.099500 2.606200 -4.930000 H -4.198700 2.152800 -3.610800 H -3.543200 3.805200 -3.698500 H -1.152900 1.252100 3.009100 H 1.312500 1.858100 2.610300 C -0.663000 -2.442700 2.634900 C -0.451600 -1.645300 3.524700 H -0.795200 -3.260500 1.966900 H -0.248500 -0.936500 4.290200 164 INT-3_3_21G Ge -1.184800 -0.719100 1.018100 C -1.025400 -2.465700 1.968300 H -1.129200 -3.527300 1.774000 C -0.697200 -1.865200 3.124900 H -0.481700 -2.341900 4.081100 C -2.889300 -0.288900 0.137000 C -3.649100 0.836100 0.547400 C -4.890100 1.075500 -0.056100 H -5.459700 1.937500 0.273300 C -5.409900 0.237700 -1.050200 C -4.646900 -0.862200 -1.442900 H -5.016700 -1.530400 -2.209700 C -3.391100 -1.138000 -0.874400 C -3.173200 1.779000 1.639500 H -2.167800 1.446200 1.956300 Si -4.225900 1.538300 3.216300 C -5.959100 2.282800 3.109900 H -6.485300 2.099100 4.058300 H -6.550800 1.818600 2.310900 H -5.942200 3.366600 2.942200 C -3.353600 2.327200 4.696400 H -3.326800 3.422200 4.620700 H -2.318800 1.973200 4.799300 H -3.888700 2.069400 5.621800 C -4.423700 -0.311700 3.523200 H -4.884900 -0.494000 4.504500 H -3.462900 -0.841900 3.493300 H -5.067900 -0.759700 2.755300 Si -2.814900 3.523100 0.960200 C -4.337500 4.609200 0.688500 H -4.015900 5.583500 0.291800 H -4.890100 4.795500 1.617900 H -5.030100 4.169900 -0.041100 C -1.654700 4.415700 2.152300 H -0.769300 3.802600 2.370400 H -2.141700 4.655400 3.106300 H -1.307900 5.359700 1.708000 C -1.945200 3.311900 -0.696900 H -1.620700 4.280400 -1.101400 H -2.612800 2.839600 -1.429600 H -1.057900 2.671700 -0.591000 C -6.779800 0.554800 -1.666900 C -7.853800 0.536900 -0.554900 H -7.905300 -0.456700 -0.093900 H -8.836100 0.779600 -0.980500 H -7.625500 1.268900 0.227500 C -7.185600 -0.466900 -2.745800 H -6.466000 -0.477700 -3.573200 H -8.167200 -0.190800 -3.150000 H -7.262500 -1.477200 -2.325500 C -6.727700 1.955200 -2.320600 H -6.474100 2.725700 -1.584300 H -7.704600 2.200700 -2.756600 H -5.971800 1.973600 -3.114700 C -2.626200 -2.356800 -1.363600 H -1.690400 -2.432900 -0.776800 Si -1.998100 -2.092600 -3.147400 C -0.816400 -0.624800 -3.103200 H 0.033800 -0.819700 -2.434800 H -1.332700 0.273900 -2.739100 H -0.418700 -0.409800 -4.104800 C -1.074200 -3.621200 -3.759700 H -0.642400 -3.420400 -4.750700 H -1.735900 -4.492700 -3.854400 H -0.251200 -3.886800 -3.083900 C -3.363700 -1.700700 -4.389500 H -2.915600 -1.597400 -5.388800 H -3.863300 -0.754800 -4.146200 H -4.123300 -2.491000 -4.445300 Si -3.552000 -3.976600 -0.945300 C -4.475700 -3.742100 0.679800 H -5.300200 -3.027500 0.557900 H -3.807500 -3.342100 1.454200 H -4.892800 -4.693800 1.038300 C -2.295100 -5.374200 -0.749500 H -2.806900 -6.295400 -0.435400 H -1.542100 -5.135000 0.013600 H -1.765900 -5.587100 -1.686900 C -4.788300 -4.492700 -2.280500 H -4.302200 -4.658900 -3.251300 H -5.578600 -3.743000 -2.418700 H -5.274500 -5.434100 -1.985800 Ge 1.052700 0.279800 0.872700 C 0.766900 0.220400 2.690300 H 1.425100 0.510500 3.510000 C -0.619500 -0.319700 2.931300 H -1.247200 0.226600 3.644000 C 2.855100 0.245600 0.071400 C 3.732100 -0.830000 0.385000 C 5.026500 -0.827100 -0.152300 H 5.685300 -1.652400 0.095200 C 5.490800 0.201400 -0.979600 C 4.617700 1.247900 -1.271900 H 4.945600 2.060900 -1.906700 C 3.305100 1.290100 -0.768500 C 3.334000 -1.968000 1.309100 H 2.319500 -1.748100 1.691600 Si 4.379400 -1.978100 2.905600 C 5.953900 -3.019900 2.780400 H 6.494500 -2.984700 3.737500 H 6.633600 -2.642300 2.004800 H 5.736000 -4.073700 2.559600 C 3.324200 -2.664400 4.314100 H 3.047600 -3.714500 4.155200 H 2.397600 -2.082900 4.415800 H 3.871100 -2.599700 5.265700 C 4.865200 -0.206200 3.329400 H 5.357300 -0.157000 4.311000 H 3.976200 0.438200 3.357200 H 5.549200 0.205800 2.576500 Si 3.085000 -3.596400 0.364700 C 4.615900 -4.201000 -0.557500 H 4.390100 -5.158300 -1.049600 H 5.470900 -4.363100 0.111800 H 4.915500 -3.487700 -1.335600 C 2.524700 -4.952500 1.555000 H 1.642200 -4.633500 2.126000 H 3.312700 -5.225100 2.269900 H 2.255600 -5.858900 0.993800 C 1.714900 -3.303900 -0.899000 H 1.487000 -4.224100 -1.455100 H 2.010400 -2.529300 -1.619700 H 0.796600 -2.969000 -0.396000 C 6.924800 0.146000 -1.526400 C 7.918000 0.116000 -0.341600 H 7.807900 1.021300 0.267100 H 8.947700 0.067300 -0.718500 H 7.742200 -0.755600 0.298500 C 7.263100 1.363100 -2.408300 H 6.604900 1.413600 -3.284400 H 8.296500 1.270800 -2.764400 H 7.179700 2.299200 -1.842600 C 7.092800 -1.131800 -2.380400 H 6.894700 -2.031500 -1.787900 H 8.118000 -1.190100 -2.768400 H 6.396400 -1.115100 -3.227200 C 2.444700 2.492200 -1.118600 H 1.400000 2.265000 -0.824200 Si 2.356600 2.851200 -2.999700 C 2.577700 1.253900 -3.976100 H 1.778200 0.540700 -3.737900 H 3.535500 0.772900 -3.743000 H 2.543300 1.457400 -5.056100 C 0.663300 3.578800 -3.405400 H 0.598100 3.799100 -4.480800 H 0.472400 4.511300 -2.859200 H -0.140900 2.874000 -3.156500 C 3.657600 4.087800 -3.602400 H 3.518400 4.249400 -4.681500 H 4.684500 3.729100 -3.453200 H 3.563400 5.062500 -3.106000 Si 2.938100 3.962900 0.005400 C 2.716300 3.467800 1.809800 H 3.391300 2.640700 2.067300 H 1.691700 3.139600 2.026600 H 2.952500 4.316500 2.468200 C 1.836300 5.453800 -0.363500 H 2.096500 6.285200 0.307100 H 0.777300 5.211100 -0.201100 H 1.949300 5.808100 -1.396500 C 4.745100 4.466900 -0.202900 H 4.977800 4.834900 -1.209300 H 5.410900 3.623300 0.020900 H 4.973800 5.272400 0.510500 164 TS-2_3_21G Ge 1.073200 -0.627100 -0.680400 C 1.026600 -2.341500 -1.628500 H 1.173700 -3.392000 -1.404600 C 0.717500 -1.839200 -2.835800 H 0.685000 -2.435400 -3.750200 C 2.908100 -0.188800 -0.117800 C 3.547000 0.997300 -0.553100 C 4.863300 1.242900 -0.143300 H 5.345500 2.150100 -0.489100 C 5.563100 0.358700 0.687300 C 4.902900 -0.787800 1.132700 H 5.407800 -1.478200 1.796400 C 3.580900 -1.075000 0.753500 C 2.854700 2.003200 -1.453100 H 1.833200 1.628700 -1.667800 Si 3.674000 2.041700 -3.180300 C 5.248000 3.085200 -3.278600 H 5.673500 2.988700 -4.288700 H 6.013900 2.750000 -2.567800 H 5.056400 4.150900 -3.100800 C 2.456800 2.751300 -4.439700 H 2.302200 3.828000 -4.289800 H 1.475400 2.263200 -4.380100 H 2.845100 2.608900 -5.458600 C 4.142300 0.275600 -3.650400 H 4.380100 0.204300 -4.721300 H 3.334100 -0.431900 -3.426100 H 5.024700 -0.046900 -3.081900 Si 2.504500 3.626400 -0.508000 C 4.021200 4.715600 -0.216200 H 3.704300 5.622500 0.320100 H 4.501600 5.031700 -1.150100 H 4.772600 4.213400 0.406200 C 1.230000 4.633500 -1.467400 H 0.335900 4.029600 -1.673100 H 1.622800 4.998800 -2.425300 H 0.917500 5.508100 -0.878600 C 1.794800 3.158800 1.171900 H 1.471200 4.049400 1.728200 H 2.541500 2.626200 1.776100 H 0.925600 2.498600 1.041500 C 7.010100 0.684800 1.085000 C 7.870200 0.818800 -0.193200 H 7.861100 -0.121500 -0.756900 H 8.906400 1.056900 0.079200 H 7.493200 1.615700 -0.843500 C 7.635000 -0.407800 1.972900 H 7.082900 -0.519300 2.914000 H 8.666400 -0.124700 2.215900 H 7.659600 -1.373900 1.453900 C 7.031300 2.017500 1.869200 H 6.615500 2.834700 1.269900 H 8.063500 2.275400 2.139000 H 6.439400 1.926900 2.787700 C 2.897700 -2.304600 1.327800 H 1.934600 -2.445700 0.798700 Si 2.354200 -1.959200 3.129400 C 1.062200 -0.587800 3.064200 H 0.185100 -0.891000 2.473300 H 1.475400 0.326100 2.617200 H 0.706600 -0.338400 4.074200 C 1.578100 -3.496200 3.904200 H 1.211500 -3.254900 4.912400 H 2.297100 -4.320700 3.999400 H 0.722100 -3.852900 3.316000 C 3.784500 -1.388500 4.216300 H 3.411600 -1.183100 5.230300 H 4.231300 -0.465500 3.826000 H 4.574500 -2.146500 4.297900 Si 3.833500 -3.931300 0.962600 C 4.679000 -3.790700 -0.715100 H 5.469800 -3.029800 -0.696500 H 3.957800 -3.495300 -1.489400 H 5.128200 -4.749800 -1.009600 C 2.578000 -5.342100 0.894900 H 3.086300 -6.282800 0.638300 H 1.811000 -5.160900 0.129500 H 2.065500 -5.488600 1.854100 C 5.125000 -4.361600 2.275000 H 4.685700 -4.418100 3.279700 H 5.943800 -3.630500 2.303200 H 5.566800 -5.342700 2.047800 Ge -0.997700 0.756900 -0.746500 C -0.662300 0.391600 -2.642400 H -1.004300 1.164700 -3.341100 C 0.462400 -0.359200 -3.041200 H 0.980000 -0.015300 -3.943100 C -2.799600 0.172000 -0.080900 C -3.485000 -1.012300 -0.468900 C -4.798300 -1.226500 -0.023200 H -5.303900 -2.130800 -0.344200 C -5.472000 -0.317700 0.798600 C -4.786800 0.831500 1.186500 H -5.273800 1.561100 1.821300 C -3.471000 1.094700 0.766400 C -2.875500 -2.062100 -1.382700 H -1.862300 -1.721600 -1.657600 Si -3.791000 -2.125300 -3.057300 C -5.243600 -3.338800 -3.083400 H -5.733300 -3.301200 -4.067500 H -6.001000 -3.089400 -2.328500 H -4.918100 -4.373900 -2.912600 C -2.579200 -2.639700 -4.412400 H -2.139100 -3.627900 -4.227400 H -1.763400 -1.907300 -4.479200 H -3.088000 -2.671800 -5.386600 C -4.439900 -0.403700 -3.466400 H -4.846900 -0.366300 -4.486700 H -3.626300 0.330000 -3.389700 H -5.227700 -0.102300 -2.764700 Si -2.574100 -3.696200 -0.459500 C -4.120700 -4.529400 0.237200 H -3.834200 -5.497100 0.675900 H -4.878100 -4.724400 -0.532600 H -4.578300 -3.927100 1.031200 C -1.751400 -4.952400 -1.609600 H -0.861000 -4.534500 -2.095300 H -2.443100 -5.280300 -2.398200 H -1.447300 -5.843700 -1.041900 C -1.444400 -3.323700 1.008400 H -1.141000 -4.242900 1.528900 H -1.965700 -2.674100 1.724700 H -0.540400 -2.796400 0.676000 C -6.917100 -0.605100 1.231700 C -7.800700 -0.777900 -0.025700 H -7.783300 0.137100 -0.629800 H -8.837000 -0.984200 0.272300 H -7.449200 -1.608900 -0.647100 C -7.511000 0.534500 2.080900 H -6.945600 0.673300 3.010600 H -8.545000 0.282200 2.346700 H -7.521100 1.479000 1.523700 C -6.947500 -1.902300 2.071500 H -6.552200 -2.749200 1.500500 H -7.979100 -2.133100 2.367800 H -6.339500 -1.780400 2.975900 C -2.847500 2.410000 1.218000 H -1.770100 2.382700 0.960900 Si -2.863500 2.659000 3.110800 C -2.728900 0.987100 3.973000 H -1.806100 0.473100 3.672200 H -3.573200 0.336100 3.713400 H -2.710100 1.114200 5.064900 C -1.364700 3.701900 3.596700 H -1.327100 3.819100 4.689500 H -1.397200 4.705300 3.152900 H -0.429800 3.222400 3.277000 C -4.402100 3.548600 3.764300 H -4.306900 3.680700 4.852200 H -5.324500 2.982200 3.580200 H -4.521300 4.545100 3.318100 Si -3.529200 3.833000 0.141800 C -3.112500 3.487000 -1.666100 H -3.544200 2.530400 -1.990200 H -2.026000 3.443100 -1.823800 H -3.517300 4.278500 -2.313600 C -2.730600 5.473000 0.640000 H -3.072800 6.274900 -0.029800 H -1.635700 5.419400 0.566400 H -2.988500 5.762200 1.667400 C -5.404000 4.010100 0.262500 H -5.742300 4.240600 1.280400 H -5.902600 3.089600 -0.066900 H -5.734000 4.827600 -0.395300 164 compound3_3_21G Ge -0.504400 1.038600 1.160300 C -0.520100 1.464100 3.019200 H -0.887900 2.469400 3.232800 C -0.255800 0.663300 4.102400 H -0.437300 1.087800 5.091200 C -0.409500 2.713600 0.118400 C 0.520100 3.741000 0.463000 C 0.512300 4.936800 -0.270100 H 1.231600 5.701900 0.002000 C -0.384600 5.175900 -1.315100 C -1.299800 4.172500 -1.621600 H -2.020600 4.327300 -2.413600 C -1.332300 2.947400 -0.931700 C 1.506800 3.642100 1.614400 H 1.334800 2.683200 2.133600 Si 1.176400 4.960500 2.962000 C 2.165300 6.557400 2.723500 H 1.947400 7.243800 3.554700 H 1.895900 7.072900 1.791900 H 3.248600 6.378900 2.714700 C 1.641600 4.238700 4.644900 H 2.725700 4.100800 4.747900 H 1.164800 3.261500 4.798400 H 1.310600 4.910800 5.449700 C -0.649000 5.443600 2.986800 H -0.827400 6.201200 3.763700 H -1.301400 4.586400 3.198400 H -0.955600 5.862500 2.019800 Si 3.306600 3.484400 1.012900 C 3.900100 4.916400 -0.064700 H 4.952800 4.746300 -0.335500 H 3.839500 5.887000 0.442800 H 3.322000 4.974900 -0.995600 C 4.465100 3.329000 2.498300 H 4.156100 2.506500 3.158000 H 4.501200 4.248800 3.097000 H 5.487100 3.115900 2.153000 C 3.437400 1.915200 -0.018400 H 4.457700 1.788900 -0.406700 H 2.750400 1.960500 -0.873300 H 3.178500 1.027900 0.575300 C -0.343000 6.515300 -2.065200 C -0.610500 7.663700 -1.064900 H -1.601900 7.547500 -0.611000 H -0.572700 8.629000 -1.586100 H 0.138200 7.672800 -0.265000 C -1.400600 6.592600 -3.182600 H -1.240800 5.810500 -3.935100 H -1.322900 7.566000 -3.682200 H -2.415100 6.498100 -2.776500 C 1.052400 6.697600 -2.705000 H 1.840200 6.685000 -1.944300 H 1.097300 7.658100 -3.234600 H 1.249500 5.891200 -3.421400 C -2.416600 1.957000 -1.324000 H -2.186400 0.979900 -0.855600 Si -2.485600 1.605100 -3.204900 C -0.769600 1.807900 -3.959300 H -0.031500 1.181000 -3.443500 H -0.426000 2.847200 -3.887800 H -0.779900 1.515900 -5.019000 C -3.075900 -0.167600 -3.470600 H -3.153500 -0.381300 -4.546400 H -4.060100 -0.345400 -3.018900 H -2.373300 -0.891700 -3.037400 C -3.665200 2.737200 -4.160900 H -3.664600 2.434000 -5.218500 H -3.363200 3.792100 -4.122300 H -4.698500 2.667800 -3.797200 Si -4.069900 2.499700 -0.519900 C -3.884000 2.452400 1.355900 H -3.122600 3.171900 1.685700 H -3.588300 1.458800 1.718900 H -4.833800 2.720900 1.841000 C -5.475600 1.341400 -1.022100 H -6.405400 1.652100 -0.524200 H -5.262500 0.307900 -0.721100 H -5.657400 1.349300 -2.104600 C -4.549600 4.263700 -0.986500 H -4.711800 4.388300 -2.064300 H -3.777800 4.975800 -0.668100 H -5.486300 4.528500 -0.473900 Ge 0.504400 -1.038600 1.160300 C 0.520100 -1.464100 3.019200 H 0.887900 -2.469400 3.232800 C 0.255800 -0.663300 4.102400 H 0.437300 -1.087800 5.091200 C 0.409500 -2.713600 0.118400 C -0.520100 -3.741000 0.463000 C -0.512300 -4.936800 -0.270100 H -1.231600 -5.701900 0.002000 C 0.384600 -5.175900 -1.315100 C 1.299800 -4.172500 -1.621600 H 2.020600 -4.327300 -2.413600 C 1.332300 -2.947400 -0.931700 C -1.506800 -3.642100 1.614400 H -1.334800 -2.683200 2.133600 Si -1.176400 -4.960500 2.962000 C -2.165300 -6.557400 2.723500 H -1.947400 -7.243800 3.554700 H -1.895900 -7.072900 1.791900 H -3.248600 -6.378900 2.714700 C -1.641600 -4.238700 4.644900 H -2.725700 -4.100800 4.747900 H -1.164800 -3.261500 4.798400 H -1.310600 -4.910800 5.449700 C 0.649000 -5.443600 2.986800 H 0.827400 -6.201200 3.763700 H 1.301400 -4.586400 3.198400 H 0.955600 -5.862500 2.019800 Si -3.306600 -3.484400 1.012900 C -3.900100 -4.916400 -0.064700 H -4.952800 -4.746300 -0.335500 H -3.839500 -5.887000 0.442800 H -3.322000 -4.974900 -0.995600 C -4.465100 -3.329000 2.498300 H -4.156100 -2.506500 3.158000 H -4.501200 -4.248800 3.097000 H -5.487100 -3.115900 2.153000 C -3.437400 -1.915200 -0.018400 H -4.457700 -1.788900 -0.406700 H -2.750400 -1.960500 -0.873300 H -3.178500 -1.027900 0.575300 C 0.343000 -6.515300 -2.065200 C 0.610500 -7.663700 -1.064900 H 1.601900 -7.547500 -0.611000 H 0.572700 -8.629000 -1.586100 H -0.138200 -7.672800 -0.265000 C 1.400600 -6.592600 -3.182600 H 1.240800 -5.810500 -3.935100 H 1.322900 -7.566000 -3.682200 H 2.415100 -6.498100 -2.776500 C -1.052400 -6.697600 -2.705000 H -1.840200 -6.685000 -1.944300 H -1.097300 -7.658100 -3.234600 H -1.249500 -5.891200 -3.421400 C 2.416600 -1.957000 -1.324000 H 2.186400 -0.979900 -0.855600 Si 2.485600 -1.605100 -3.204900 C 0.769600 -1.807900 -3.959300 H 0.031500 -1.181000 -3.443500 H 0.426000 -2.847200 -3.887800 H 0.779900 -1.515900 -5.019000 C 3.075900 0.167600 -3.470600 H 3.153500 0.381300 -4.546400 H 4.060100 0.345400 -3.018900 H 2.373300 0.891700 -3.037400 C 3.665200 -2.737200 -4.160900 H 3.664600 -2.434000 -5.218500 H 3.363200 -3.792100 -4.122300 H 4.698500 -2.667800 -3.797200 Si 4.069900 -2.499700 -0.519900 C 3.884000 -2.452400 1.355900 H 3.122600 -3.171900 1.685700 H 3.588300 -1.458800 1.718900 H 4.833800 -2.720900 1.841000 C 5.475600 -1.341400 -1.022100 H 6.405400 -1.652100 -0.524200 H 5.262500 -0.307900 -0.721100 H 5.657400 -1.349300 -2.104600 C 4.549600 -4.263700 -0.986500 H 4.711800 -4.388300 -2.064300 H 3.777800 -4.975800 -0.668100 H 5.486300 -4.528500 -0.473900