21
eq HF/6-31G*
H        0.780700      2.146000     -0.230900
C        0.293300      1.259700      0.168400
C       -1.898900      0.000000      0.286200
C        0.293300     -1.259700      0.168400
C       -1.190800     -1.263400     -0.210000
C        1.015000      0.000000     -0.329400
C       -1.190800      1.263400     -0.210000
H       -1.912000      0.000000      1.375200
H        0.387600     -1.317000      1.252700
H       -1.285100     -1.325700     -1.293100
H       -1.285100      1.325700     -1.293100
H        0.387600      1.317000      1.252700
H       -2.936600      0.000000     -0.036700
H        0.780700     -2.146000     -0.230900
H       -1.675500     -2.148200      0.194100
H       -1.675500      2.148200      0.194100
H        0.966300      0.000000     -1.419000
C        2.489500     -0.000000      0.075300
H        2.596800      0.000000      1.157100
H        3.002800      0.877500     -0.307500
H        3.002800     -0.877500     -0.307500

21
ax HF/6-31G*
H       -0.857700     -2.149200      0.464000
C       -0.251600     -1.261000      0.624600
C        1.798200     -0.000000     -0.157500
C       -0.251600      1.261000      0.624600
C        0.951300      1.264800     -0.325800
C       -1.124100      0.000000      0.491800
C        0.951300     -1.264800     -0.325800
H        2.247500     -0.000000      0.834800
H        0.116700      1.321400      1.647500
H        0.612600      1.338400     -1.356800
H        0.612600     -1.338400     -1.356800
H        0.116700     -1.321400      1.647600
H        2.619300     -0.000100     -0.869400
H       -0.857700      2.149300      0.464000
H        1.558500      2.147100     -0.141300
H       -1.826300      0.000000      1.323100
H        1.558400     -2.147100     -0.141300
C       -1.963300      0.000000     -0.792100
H       -1.355200     -0.000000     -1.690100
H       -2.603400      0.876800     -0.832000
H       -2.603500     -0.876700     -0.832000

21
eq B3LYP/6-31G*
H       -0.789000     -2.159900     -0.229500
C       -0.293800     -1.264000      0.169000
C        1.906300      0.000000      0.285600
C       -0.293800      1.264000      0.169000
C        1.195300      1.268100     -0.210500
C       -1.020000      0.000000     -0.328800
C        1.195300     -1.268100     -0.210500
H        1.918500      0.000000      1.385900
H       -0.388900      1.318900      1.264900
H        1.288900      1.329500     -1.305000
H        1.288900     -1.329500     -1.305000
H       -0.388900     -1.318900      1.264900
H        2.955300     -0.000000     -0.037900
H       -0.789000      2.159900     -0.229500
H        1.686000      2.163000      0.193700
H        1.686000     -2.163000      0.193700
H       -0.967400     -0.000000     -1.430000
C       -2.498800      0.000000      0.074300
H       -2.608000     -0.000000      1.166800
H       -3.017700     -0.886300     -0.310800
H       -3.017700      0.886300     -0.310800

21
ax B3LYP/6-31G*
H       -0.864900     -2.163300      0.472500
C       -0.252400     -1.265300      0.630000
C        1.802600     -0.000000     -0.160200
C       -0.252400      1.265300      0.630000
C        0.952200      1.269200     -0.326300
C       -1.129400      0.000000      0.493700
C        0.952200     -1.269200     -0.326300
H        2.256400     -0.000000      0.842600
H        0.121700      1.322500      1.663000
H        0.604400      1.339600     -1.366500
H        0.604400     -1.339600     -1.366500
H        0.121700     -1.322500      1.663000
H        2.633200     -0.000000     -0.877900
H       -0.864900      2.163400      0.472500
H        1.564700      2.162500     -0.147600
H       -1.842000      0.000000      1.331300
H        1.564700     -2.162500     -0.147600
C       -1.963200      0.000000     -0.798700
H       -1.340600     -0.000000     -1.700200
H       -2.608500      0.885600     -0.846400
H       -2.608500     -0.885600     -0.846400

21
eq B3LYP-D3/6-31G*
H       -0.791300     -2.159600     -0.222100
C       -0.293500     -1.262700      0.170600
C        1.903300      0.000000      0.288800
C       -0.293500      1.262700      0.170600
C        1.194100      1.266900     -0.213000
C       -1.018000     -0.000000     -0.330800
C        1.194100     -1.266900     -0.213000
H        1.904100      0.000000      1.389100
H       -0.385100      1.309600      1.267100
H        1.283500      1.319300     -1.308400
H        1.283500     -1.319300     -1.308400
H       -0.385100     -1.309500      1.267100
H        2.954600     -0.000000     -0.026500
H       -0.791300      2.159600     -0.222100
H        1.686400      2.163700      0.184500
H        1.686400     -2.163700      0.184500
H       -0.961900     -0.000000     -1.431800
C       -2.495700      0.000000      0.073600
H       -2.599400      0.000000      1.166700
H       -3.014500     -0.887000     -0.309800
H       -3.014500      0.887000     -0.309800

21
ax B3LYP-D3/6-31G*
H       -0.865400     -2.163000      0.484000
C       -0.252600     -1.264200      0.635200
C        1.797600      0.000000     -0.160100
C       -0.252600      1.264200      0.635200
C        0.946300      1.268300     -0.328000
C       -1.129500     -0.000000      0.495700
C        0.946300     -1.268300     -0.328000
H        2.245800      0.000000      0.845100
H        0.128300      1.314800      1.665900
H        0.591600      1.332100     -1.366100
H        0.591600     -1.332100     -1.366100
H        0.128300     -1.314800      1.665900
H        2.630300      0.000000     -0.875100
H       -0.865400      2.163000      0.484000
H        1.558500      2.163000     -0.156400
H       -1.848700     -0.000000      1.327500
H        1.558500     -2.163000     -0.156400
C       -1.948500     -0.000000     -0.805400
H       -1.312800      0.000000     -1.697400
H       -2.591800      0.886500     -0.861100
H       -2.591800     -0.886500     -0.861100

21
eq wB97x-D/6-31G*
H       -0.789200     -2.154200     -0.225200
C       -0.292900     -1.258600      0.169400
C        1.896800     -0.000000      0.288900
C       -0.292900      1.258600      0.169400
C        1.190200      1.262800     -0.212100
C       -1.014300      0.000000     -0.331100
C        1.190200     -1.262800     -0.212100
H        1.897100     -0.000000      1.388400
H       -0.385400      1.305400      1.265300
H        1.280500      1.315600     -1.306500
H        1.280500     -1.315600     -1.306500
H       -0.385400     -1.305400      1.265300
H        2.946500     -0.000000     -0.027400
H       -0.789200      2.154200     -0.225200
H        1.681000      2.157900      0.187600
H        1.681000     -2.157900      0.187600
H       -0.959200      0.000000     -1.431200
C       -2.487200     -0.000000      0.074200
H       -2.588200     -0.000000      1.166800
H       -3.005100     -0.886500     -0.309100
H       -3.005100      0.886500     -0.309000

21
ax wB97x-D/6-31G*
H        0.865300      2.157400      0.482100
C        0.252500      1.260100      0.634500
C       -1.790400      0.000000     -0.160100
C        0.252500     -1.260100      0.634500
C       -0.942000     -1.264600     -0.326400
C        1.125500      0.000000      0.494200
C       -0.942000      1.264600     -0.326400
H       -2.239700      0.000000      0.843700
H       -0.128100     -1.310500      1.664500
H       -0.587600     -1.330300     -1.363900
H       -0.587600      1.330300     -1.363900
H       -0.128100      1.310600      1.664500
H       -2.619900     -0.000000     -0.876900
H        0.865300     -2.157400      0.482100
H       -1.554400     -2.157100     -0.152200
H        1.845600      0.000000      1.323600
H       -1.554400      2.157100     -0.152200
C        1.937800     -0.000000     -0.805500
H        1.299200     -0.000000     -1.695200
H        2.580300     -0.886000     -0.862200
H        2.580300      0.885900     -0.862200

21
eq M06-2X/6-31G*
H       -0.792300     -2.152700     -0.217300
C       -0.292700     -1.256300      0.170100
C        1.892600     -0.000000      0.292400
C       -0.292700      1.256300      0.170300
C        1.188700      1.260900     -0.214600
C       -1.011900      0.000000     -0.334000
C        1.188700     -1.260900     -0.214700
H        1.881100     -0.000100      1.391500
H       -0.382500      1.293800      1.266600
H        1.275500      1.305000     -1.309300
H        1.275500     -1.304900     -1.309400
H       -0.382500     -1.293900      1.266500
H        2.944500      0.000000     -0.013900
H       -0.792300      2.152700     -0.217100
H        1.680700      2.157700      0.177900
H        1.680700     -2.157700      0.177700
H       -0.953800      0.000100     -1.433900
C       -2.482300     -0.000000      0.074500
H       -2.575600     -0.000100      1.167100
H       -3.001000     -0.886400     -0.305400
H       -3.001000      0.886400     -0.305300

21
ax M06-2X/6-31G*
H       -0.866300     -2.155600      0.491300
C       -0.252300     -1.258600      0.637800
C        1.785000      0.000000     -0.157400
C       -0.252300      1.258600      0.637800
C        0.935900      1.262200     -0.329600
C       -1.124400     -0.000000      0.496700
C        0.935900     -1.262200     -0.329600
H        2.223800     -0.000000      0.850700
H        0.135500      1.304800      1.665000
H        0.576100      1.318900     -1.365400
H        0.576100     -1.318900     -1.365400
H        0.135500     -1.304800      1.665000
H        2.620300      0.000000     -0.866400
H       -0.866300      2.155600      0.491300
H        1.546600      2.156800     -0.164600
H       -1.849500     -0.000000      1.321300
H        1.546600     -2.156800     -0.164600
C       -1.923500     -0.000000     -0.809400
H       -1.275400      0.000000     -1.691300
H       -2.564600      0.885700     -0.872400
H       -2.564500     -0.885700     -0.872400

21
eq wB97x-V/6-31G*
H        0.875023     -0.214212     -2.111504
C        0.787184     -0.125780     -1.018736
C        0.895320      1.473369      0.940236
C       -0.741185     -0.457468      0.956774
C       -0.484069      0.987609      1.403933
C       -0.594044     -0.623344     -0.564131
C        1.049627      1.320435     -0.578530
H        1.675170      0.880150      1.444011
H       -0.020544     -1.126707      1.456266
H       -1.260211      1.642066      0.976122
H        0.333061      1.987772     -1.083431
H        1.559507     -0.783835     -0.586089
H        1.051713      2.519667      1.236992
H       -1.743271     -0.782539      1.272741
H       -0.570375      1.068057      2.496358
H        2.053026      1.637594     -0.894598
H       -1.355686      0.013630     -1.046455
C       -0.833908     -2.072787     -0.993748
H       -0.092373     -2.740623     -0.532675
H       -0.753166     -2.184128     -2.083127
H       -1.830799     -2.418927     -0.690410

21
ax wB97x-V/6-31G*
H        0.998548     -0.576573     -2.078717
C        0.923801     -0.524824     -0.982680
C        1.125329      0.992556      1.032753
C       -0.603397     -0.855590      0.999342
C       -0.272493      0.560009      1.495303
C       -0.472461     -0.995380     -0.530201
C        1.259571      0.891765     -0.492748
H        1.877441      0.339016      1.503490
H        0.089721     -1.565095      1.478715
H       -1.019196      1.275168      1.118130
H        0.587880      1.623327     -0.967049
H        1.677553     -1.221195     -0.582043
H        1.340230      2.016177      1.369550
H       -1.616798     -1.143276      1.315249
H       -0.337440      0.593963      2.591675
H       -0.561249     -2.064554     -0.777449
H        2.278809      1.160583     -0.803003
C       -1.598467     -0.264705     -1.275789
H       -1.591100      0.815964     -1.086675
H       -2.580741     -0.646841     -0.967639
H       -1.505542     -0.410496     -2.360214

21
eq MP2/6-31G*
H        0.791300      2.151200     -0.218800
C        0.292300      1.254400      0.171000
C       -1.892200      0.000000      0.290000
C        0.292300     -1.254400      0.171000
C       -1.187600     -1.259300     -0.213800
C        1.011100      0.000000     -0.331000
C       -1.187600      1.259300     -0.213800
H       -1.888500      0.000000      1.388800
H        0.382700     -1.296000      1.266700
H       -1.275500     -1.308300     -1.308000
H       -1.275500      1.308300     -1.308000
H        0.382700      1.296000      1.266700
H       -2.943800      0.000000     -0.021500
H        0.791200     -2.151200     -0.218800
H       -1.679700     -2.156500      0.181000
H       -1.679700      2.156500      0.181000
H        0.954400      0.000000     -1.430900
C        2.482400      0.000000      0.073000
H        2.578800     -0.000000      1.164500
H        2.998600      0.886200     -0.310700
H        2.998600     -0.886200     -0.310700

21
ax MP2/6-31G*
H        0.866600      2.154200      0.488600
C        0.251800      1.256600      0.635300
C       -1.784400     -0.000000     -0.158400
C        0.251900     -1.256600      0.635300
C       -0.937300     -1.261700     -0.328000
C        1.122500      0.000000      0.493700
C       -0.937300      1.261700     -0.328000
H       -2.229200     -0.000000      0.846600
H       -0.132400     -1.305300      1.663900
H       -0.583100     -1.325800     -1.364600
H       -0.583100      1.325800     -1.364600
H       -0.132400      1.305300      1.663900
H       -2.618000     -0.000000     -0.871200
H        0.866700     -2.154200      0.488600
H       -1.549700     -2.155300     -0.156300
H        1.846600      0.000000      1.320700
H       -1.549800      2.155200     -0.156300
C        1.927900      0.000000     -0.807000
H        1.287000     -0.000000     -1.692300
H        2.570100     -0.885300     -0.862300
H        2.570100      0.885300     -0.862400

21
eq HF/6-311+G**
H        0.780600      2.145400     -0.232300
C        0.293100      1.259200      0.168500
C       -1.899000      0.000000      0.284700
C        0.293100     -1.259200      0.168500
C       -1.190400     -1.263100     -0.209400
C        1.015000      0.000000     -0.327900
C       -1.190400      1.263100     -0.209400
H       -1.914300      0.000000      1.374600
H        0.387700     -1.317500      1.253700
H       -1.284800     -1.326700     -1.293300
H       -1.284800      1.326700     -1.293300
H        0.387700      1.317500      1.253700
H       -2.936500      0.000000     -0.040700
H        0.780600     -2.145400     -0.232300
H       -1.675100     -2.148000      0.196000
H       -1.675100      2.148000      0.196000
H        0.966300      0.000000     -1.418300
C        2.489500      0.000000      0.074700
H        2.598000      0.000000      1.157300
H        3.002200      0.878300     -0.309300
H        3.002200     -0.878300     -0.309300

21
ax HF/6-311+G**
H       -0.857900     -2.149000      0.462600
C       -0.251400     -1.260500      0.624000
C        1.798400     -0.000000     -0.158600
C       -0.251400      1.260500      0.624000
C        0.952000      1.264600     -0.324900
C       -1.123700      0.000000      0.490900
C        0.952000     -1.264600     -0.324900
H        2.250100     -0.000000      0.833600
H        0.115900      1.320700      1.648100
H        0.613400      1.339500     -1.356700
H        0.613400     -1.339500     -1.356700
H        0.115900     -1.320700      1.648100
H        2.618300     -0.000000     -0.872700
H       -0.857800      2.149000      0.462600
H        1.559400      2.147100     -0.139100
H       -1.824800      0.000000      1.323800
H        1.559400     -2.147100     -0.139100
C       -1.965200      0.000000     -0.791300
H       -1.358600     -0.000000     -1.691100
H       -2.605600      0.877500     -0.829200
H       -2.605600     -0.877500     -0.829200

21
eq B3LYP/6-311+G**
H       -0.787200     -2.156100     -0.232700
C       -0.293800     -1.263200      0.167700
C        1.905600      0.000000      0.285100
C       -0.293800      1.263200      0.167700
C        1.194700      1.267600     -0.209100
C       -1.019700      0.000000     -0.328800
C        1.194700     -1.267600     -0.209100
H        1.920900     -0.000000      1.383000
H       -0.391100      1.319600      1.261100
H        1.290200      1.332000     -1.301100
H        1.290200     -1.332000     -1.301100
H       -0.391100     -1.319600      1.261100
H        2.951200     -0.000000     -0.040400
H       -0.787200      2.156100     -0.232700
H        1.683200      2.159500      0.197300
H        1.683200     -2.159500      0.197300
H       -0.968400      0.000000     -1.427700
C       -2.497400      0.000000      0.074800
H       -2.604900     -0.000000      1.165100
H       -3.015200     -0.884300     -0.309600
H       -3.015200      0.884300     -0.309600

21
ax B3LYP/6-311+G**
H       -0.864700     -2.159600      0.468500
C       -0.252600     -1.264900      0.628500
C        1.802300      0.000000     -0.160200
C       -0.252600      1.264900      0.628500
C        0.952700      1.268700     -0.325200
C       -1.128500      0.000000      0.493000
C        0.952700     -1.268700     -0.325200
H        2.257500      0.000000      0.839300
H        0.118000      1.324100      1.660000
H        0.608000      1.341800     -1.363700
H        0.608000     -1.341800     -1.363700
H        0.118000     -1.324100      1.660000
H        2.629200      0.000000     -0.878100
H       -0.864700      2.159600      0.468500
H        1.564000      2.159100     -0.143900
H       -1.837400      0.000000      1.330100
H        1.564000     -2.159100     -0.143900
C       -1.963800      0.000000     -0.797500
H       -1.344400      0.000000     -1.698100
H       -2.608000      0.883500     -0.843200
H       -2.608000     -0.883500     -0.843200

21
eq B3LYP-D3/6-311+G**
H       -0.789500     -2.155900     -0.224800
C       -0.293500     -1.261800      0.169500
C        1.902600      0.000000      0.288300
C       -0.293500      1.261800      0.169500
C        1.193500      1.266300     -0.211800
C       -1.017700      0.000000     -0.330700
C        1.193500     -1.266300     -0.211800
H        1.906100     -0.000000      1.386300
H       -0.386900      1.309900      1.263500
H        1.284400      1.321300     -1.304600
H        1.284400     -1.321300     -1.304600
H       -0.386900     -1.309900      1.263500
H        2.950700     -0.000000     -0.028700
H       -0.789500      2.155900     -0.224800
H        1.683600      2.160300      0.187700
H        1.683600     -2.160300      0.187700
H       -0.962600      0.000000     -1.429400
C       -2.494300      0.000000      0.073900
H       -2.596600      0.000000      1.164800
H       -3.011900     -0.885000     -0.308800
H       -3.011900      0.885000     -0.308800

21
ax B3LYP-D3/6-311+G**
H       -0.865200     -2.159300      0.480900
C       -0.252800     -1.263700      0.634000
C        1.797000      0.000000     -0.160200
C       -0.252800      1.263700      0.634000
C        0.946600      1.267800     -0.327000
C       -1.128600      0.000000      0.495100
C        0.946600     -1.267800     -0.327000
H        2.246600      0.000000      0.841900
H        0.125000      1.315800      1.663200
H        0.594400      1.334000     -1.363300
H        0.594400     -1.334000     -1.363300
H        0.125000     -1.315800      1.663200
H        2.626100      0.000000     -0.875400
H       -0.865200      2.159300      0.480900
H        1.557500      2.159700     -0.153300
H       -1.844700      0.000000      1.326100
H        1.557500     -2.159700     -0.153300
C       -1.948400      0.000000     -0.804600
H       -1.315100      0.000000     -1.695200
H       -2.590600      0.884400     -0.858800
H       -2.590600     -0.884400     -0.858800

21
eq wB97x-D/6-311+G**
H       -0.788200     -2.150900     -0.226600
C       -0.292700     -1.257200      0.168400
C        1.895100      0.000000      0.288300
C       -0.292700      1.257200      0.168400
C        1.189100      1.261700     -0.211200
C       -1.013500      0.000000     -0.330800
C        1.189100     -1.261700     -0.211200
H        1.897300     -0.000000      1.386200
H       -0.386700      1.304800      1.262600
H        1.280400      1.316300     -1.303900
H        1.280400     -1.316300     -1.303900
H       -0.386700     -1.304800      1.262600
H        2.942800      0.000000     -0.028300
H       -0.788200      2.150900     -0.226600
H        1.678600      2.155000      0.189000
H        1.678600     -2.155000      0.189000
H       -0.959100      0.000000     -1.429300
C       -2.484600      0.000000      0.074600
H       -2.584200     -0.000000      1.165700
H       -3.002200     -0.885000     -0.307500
H       -3.002200      0.885000     -0.307400

21
ax wB97x-D/6-311+G**
H        0.865000      2.154200      0.481200
C        0.252500      1.259000      0.633900
C       -1.788600     -0.000000     -0.160700
C        0.252500     -1.259000      0.634000
C       -0.941100     -1.263500     -0.325700
C        1.124300      0.000000      0.493900
C       -0.941100      1.263400     -0.325700
H       -2.239600      0.000000      0.840600
H       -0.126400     -1.310300      1.662700
H       -0.587400     -1.330500     -1.361500
H       -0.587400      1.330500     -1.361500
H       -0.126400      1.310300      1.662700
H       -2.615500     -0.000000     -0.877600
H        0.865000     -2.154200      0.481300
H       -1.552400     -2.154300     -0.151500
H        1.842500      0.000000      1.322400
H       -1.552400      2.154300     -0.151500
C        1.935400     -0.000000     -0.804900
H        1.297200     -0.000000     -1.692600
H        2.577000     -0.884400     -0.861800
H        2.577000      0.884400     -0.861800

21
eq M06-2X/6-311+G**
H       -0.791000     -2.149700     -0.219500
C       -0.292900     -1.256000      0.169600
C        1.892100     -0.000000      0.292900
C       -0.292900      1.256000      0.169600
C        1.188400      1.260700     -0.214200
C       -1.011400      0.000000     -0.334700
C        1.188400     -1.260700     -0.214200
H        1.881400     -0.000000      1.389900
H       -0.383800      1.294300      1.263700
H        1.276300      1.306000     -1.306600
H        1.276300     -1.306000     -1.306600
H       -0.383800     -1.294300      1.263700
H        2.941400      0.000000     -0.014300
H       -0.791000      2.149700     -0.219500
H        1.678700      2.155100      0.179800
H        1.678700     -2.155100      0.179800
H       -0.954500     -0.000000     -1.432300
C       -2.481300     -0.000000      0.075000
H       -2.572700     -0.000000      1.165800
H       -2.999000     -0.884900     -0.304100
H       -2.999000      0.884900     -0.304000

21
ax M06-2X/6-311+G**
H       -0.866200     -2.152800      0.489100
C       -0.252500     -1.258700      0.637400
C        1.784900      0.000000     -0.157300
C       -0.252500      1.258700      0.637400
C        0.935900      1.262100     -0.329200
C       -1.123900      0.000000      0.496600
C        0.935900     -1.262100     -0.329200
H        2.224600      0.000000      0.848000
H        0.133300      1.305700      1.663000
H        0.578000      1.320600     -1.363200
H        0.578000     -1.320600     -1.363200
H        0.133300     -1.305700      1.663000
H        2.616600      0.000000     -0.867000
H       -0.866200      2.152800      0.489100
H        1.545700      2.154200     -0.162100
H       -1.846600      0.000000      1.320000
H        1.545700     -2.154200     -0.162100
C       -1.923300      0.000000     -0.809500
H       -1.276600      0.000000     -1.689400
H       -2.563300      0.884000     -0.871200
H       -2.563300     -0.884000     -0.871200

21
eq wB97x-V/6-311+G**
H        0.872828     -0.213198     -2.109015
C        0.786120     -0.125477     -1.017836
C        0.894080      1.472764      0.939171
C       -0.740657     -0.456825      0.955604
C       -0.483260      0.986350      1.403047
C       -0.593147     -0.623213     -0.563427
C        1.049200      1.318919     -0.577826
H        1.673838      0.882318      1.443344
H       -0.021886     -1.126260      1.454700
H       -1.259241      1.640266      0.977685
H        0.335085      1.986221     -1.083230
H        1.557608     -0.783484     -0.586899
H        1.048818      2.517899      1.234465
H       -1.741652     -0.780693      1.270266
H       -0.568415      1.065594      2.493890
H        2.051588      1.634416     -0.892681
H       -1.354045      0.012693     -1.045361
C       -0.833144     -2.071085     -0.992862
H       -0.092577     -2.738049     -0.532389
H       -0.752603     -2.182380     -2.080604
H       -1.828538     -2.416775     -0.690043

21
ax wB97x-V/6-311+G**
H        0.996894     -0.576220     -2.076171
C        0.923090     -0.524623     -0.981838
C        1.123919      0.992304      1.031697
C       -0.602842     -0.855132      0.998396
C       -0.271972      0.558834      1.494321
C       -0.471930     -0.994384     -0.529663
C        1.258569      0.890440     -0.492165
H        1.876413      0.341881      1.502988
H        0.088447     -1.564580      1.476937
H       -1.018353      1.272992      1.119065
H        0.588644      1.621155     -0.966740
H        1.675550     -1.220714     -0.582519
H        1.336780      2.015070      1.366586
H       -1.614944     -1.142009      1.313075
H       -0.336268      0.592136      2.588944
H       -0.560227     -2.061989     -0.776044
H        2.276275      1.158459     -0.801787
C       -1.596875     -0.263888     -1.274655
H       -1.588895      0.815161     -1.086195
H       -2.577840     -0.644905     -0.966822
H       -1.504437     -0.409988     -2.357410

21
eq MP2/6-311+G**
H        0.793000      2.151700     -0.217900
C        0.292700      1.255600      0.171700
C       -1.893400      0.000000      0.293600
C        0.292700     -1.255600      0.171700
C       -1.189100     -1.260800     -0.215800
C        1.011700      0.000000     -0.333600
C       -1.189100      1.260800     -0.215800
H       -1.880800      0.000000      1.392700
H        0.381300     -1.292200      1.268400
H       -1.274500     -1.303700     -1.310800
H       -1.274500      1.303700     -1.310800
H        0.381300      1.292200      1.268400
H       -2.945700      0.000000     -0.014600
H        0.793000     -2.151700     -0.217900
H       -1.680700     -2.158400      0.178100
H       -1.680700      2.158400      0.178100
H        0.953700      0.000000     -1.433700
C        2.484300      0.000000      0.073400
H        2.575900     -0.000000      1.166200
H        3.000100      0.887600     -0.309000
H        3.000100     -0.887600     -0.309000

21
ax MP2/6-311+G**
H        0.869600      2.154500      0.489100
C        0.252700      1.259000      0.637900
C       -1.785500      0.000000     -0.156200
C        0.252700     -1.259000      0.637900
C       -0.936000     -1.262800     -0.330500
C        1.123500      0.000000      0.496400
C       -0.936000      1.262800     -0.330500
H       -2.223300      0.000000      0.852300
H       -0.135400     -1.306300      1.665300
H       -0.578400     -1.320400     -1.366600
H       -0.578400      1.320400     -1.366600
H       -0.135400      1.306300      1.665300
H       -2.620100      0.000000     -0.867400
H        0.869600     -2.154500      0.489100
H       -1.547500     -2.157000     -0.161100
H        1.849000      0.000000      1.321600
H       -1.547500      2.157000     -0.161100
C        1.924000      0.000000     -0.810300
H        1.276600     -0.000000     -1.691800
H        2.564700     -0.886800     -0.868200
H        2.564600      0.886800     -0.868200
