30
eq HF/6-31G*
H       -0.203400      2.155100     -0.187900
C       -0.675900      1.253300      0.183700
C       -2.878400      0.000000      0.224600
C       -0.675900     -1.253300      0.183700
C       -2.147400     -1.257300     -0.245400
C        0.069800      0.000000     -0.315600
C       -2.147400      1.257300     -0.245400
H       -2.932400      0.000000      1.312400
H       -0.629000     -1.301000      1.269600
H       -2.204400     -1.321300     -1.331000
H       -0.013600      0.000000     -1.403700
H       -2.204400      1.321300     -1.331000
H       -0.629000      1.301000      1.269600
H       -3.903000      0.000000     -0.137900
H       -0.203400     -2.155100     -0.187900
H       -2.639000     -2.145700      0.142600
H       -2.639000      2.145700      0.142600
C        1.603600      0.000000     -0.016800
C        1.917900      0.000000      1.488800
H        1.520000     -0.877500      1.987100
H        1.520000      0.877600      1.987100
H        2.993200      0.000000      1.644800
C        2.261300      1.239600     -0.652200
H        3.342100      1.178200     -0.566300
H        1.954900      2.161500     -0.172200
H        2.019700      1.316200     -1.709200
C        2.261300     -1.239600     -0.652200
H        2.019700     -1.316200     -1.709200
H        1.954900     -2.161500     -0.172100
H        3.342100     -1.178200     -0.566300

30
ax HF/6-31G*
H        0.167000      2.169400     -0.733700
C        0.748900      1.256900     -0.768700
C        2.667700     -0.000500      0.272800
C        0.714400     -1.258200     -0.761300
C        1.803400     -1.260900      0.322400
C       -0.170300      0.012300     -0.823700
C        1.801600      1.257400      0.344000
H        3.237600      0.012300     -0.655300
H        1.213800     -1.347500     -1.724700
H        1.362700     -1.347600      1.309400
H        1.331400      1.323000      1.321100
H        1.284300      1.288500     -1.716800
H        3.392500     -0.010900      1.082500
H        0.105300     -2.150200     -0.663300
H        2.425800     -2.142300      0.188900
H        2.423300      2.143800      0.245200
H       -0.592000      0.028000     -1.826500
C       -1.442400      0.005100      0.096400
C       -2.445700     -1.015900     -0.477400
H       -2.734200     -0.755800     -1.491800
H       -3.349300     -1.040300      0.124800
H       -2.044000     -2.022900     -0.495300
C       -1.187900     -0.367900      1.566600
H       -0.480100      0.297400      2.046400
H       -0.821000     -1.382700      1.669100
H       -2.118000     -0.306000      2.124800
C       -2.131800      1.381200      0.064800
H       -2.276900      1.731500     -0.953500
H       -1.566000      2.135400      0.600600
H       -3.110000      1.320300      0.532800

30
eq B3LYP/6-31G*
H        0.195200     -2.168300     -0.197300
C        0.676000     -1.258300      0.178000
C        2.885500      0.000000      0.228000
C        0.676000      1.258300      0.178000
C        2.154400      1.262500     -0.245800
C       -0.071200      0.000000     -0.320500
C        2.154400     -1.262500     -0.245800
H        2.933300      0.000000      1.327300
H        0.623200      1.306700      1.275300
H        2.214900      1.324800     -1.342700
H        0.009800      0.000000     -1.421100
H        2.214900     -1.324800     -1.342700
H        0.623200     -1.306700      1.275300
H        3.923200      0.000000     -0.130000
H        0.195200      2.168300     -0.197300
H        2.650800      2.160900      0.143700
H        2.650800     -2.160900      0.143700
C       -1.611100      0.000000     -0.016300
C       -1.912400      0.000000      1.496700
H       -1.503800      0.886000      1.995400
H       -1.503800     -0.886000      1.995400
H       -2.996100     -0.000000      1.667200
C       -2.270500     -1.244500     -0.651000
H       -3.361300     -1.191300     -0.549800
H       -1.946300     -2.175800     -0.175600
H       -2.039800     -1.314600     -1.721800
C       -2.270500      1.244500     -0.651000
H       -2.039800      1.314500     -1.721800
H       -1.946300      2.175800     -0.175600
H       -3.361300      1.191300     -0.549800

30
ax B3LYP/6-31G*
H        0.149200      2.180600     -0.722900
C        0.745000      1.263600     -0.769200
C        2.675600     -0.001000      0.269700
C        0.717200     -1.263700     -0.764600
C        1.807600     -1.265100      0.324100
C       -0.171400      0.010200     -0.826800
C        1.807500      1.261900      0.342000
H        3.245100      0.009400     -0.672100
H        1.223000     -1.354200     -1.737300
H        1.356800     -1.344600      1.320400
H        1.334600      1.325300      1.330800
H        1.280100      1.308400     -1.729900
H        3.414300     -0.009800      1.081600
H        0.099900     -2.164400     -0.668900
H        2.433900     -2.158500      0.199600
H        2.434100      2.158400      0.244600
H       -0.603300      0.023700     -1.838800
C       -1.448000      0.004100      0.098500
C       -2.423000     -1.076300     -0.425300
H       -2.708000     -0.882800     -1.467000
H       -3.341500     -1.086900      0.174000
H       -1.992800     -2.082500     -0.378000
C       -1.174600     -0.288200      1.588200
H       -0.487000      0.436800      2.035100
H       -0.758300     -1.289500      1.739100
H       -2.113300     -0.239500      2.154800
C       -2.176800      1.362200     -0.001800
H       -2.335300      1.657200     -1.046800
H       -1.624700      2.166900      0.495300
H       -3.161200      1.300100      0.477700

30
eq B3LYP-D3/6-31G*
H        0.191700     -2.167800     -0.191500
C        0.674100     -1.257000      0.178500
C        2.879900      0.000000      0.231300
C        0.674100      1.257000      0.178500
C        2.150800      1.261100     -0.248800
C       -0.071700      0.000000     -0.322700
C        2.150800     -1.261100     -0.248800
H        2.915200     -0.000000      1.331100
H        0.624100      1.297900      1.276000
H        2.207300      1.314400     -1.346300
H        0.012000      0.000000     -1.423100
H        2.207300     -1.314400     -1.346300
H        0.624100     -1.297900      1.276000
H        3.920600      0.000000     -0.117700
H        0.191700      2.167800     -0.191500
H        2.648400      2.161500      0.134100
H        2.648400     -2.161500      0.134100
C       -1.608600      0.000000     -0.017100
C       -1.904400      0.000000      1.496000
H       -1.492900      0.886300      1.991200
H       -1.492800     -0.886300      1.991200
H       -2.987500     -0.000000      1.669900
C       -2.267900     -1.244900     -0.649400
H       -3.358700     -1.192500     -0.548200
H       -1.942600     -2.174000     -0.170800
H       -2.034800     -1.316200     -1.719400
C       -2.268000      1.244900     -0.649400
H       -2.034800      1.316200     -1.719400
H       -1.942600      2.174000     -0.170800
H       -3.358700      1.192500     -0.548200

30
ax B3LYP-D3/6-31G*
H        0.155000      2.180000     -0.768000
C        0.745900      1.259300     -0.787300
C        2.656600      0.002800      0.281300
C        0.711100     -1.264000     -0.774400
C        1.792600     -1.264600      0.323700
C       -0.173600      0.010700     -0.839900
C        1.782400      1.262000      0.346300
H        3.233200      0.018700     -0.656100
H        1.224200     -1.354600     -1.743000
H        1.333900     -1.346300      1.315100
H        1.284700      1.315200      1.323100
H        1.301700      1.283800     -1.736900
H        3.387200     -0.006000      1.100300
H        0.090200     -2.162400     -0.680600
H        2.423000     -2.155500      0.202700
H        2.406500      2.162000      0.268800
H       -0.611000      0.025100     -1.849400
C       -1.437800      0.005700      0.098700
C       -2.448900     -1.021200     -0.461500
H       -2.761300     -0.755000     -1.478900
H       -3.348600     -1.057800      0.164800
H       -2.031700     -2.033500     -0.493300
C       -1.153000     -0.368100      1.566800
H       -0.424700      0.302900      2.031500
H       -0.779400     -1.392900      1.658600
H       -2.078600     -0.305600      2.153000
C       -2.122700      1.387800      0.075100
H       -2.283400      1.737400     -0.952500
H       -1.534300      2.146400      0.602400
H       -3.102000      1.335100      0.565900

30
eq wB97x-D/6-31G*
H        0.188500     -2.162500     -0.196900
C        0.669800     -1.253200      0.177000
C        2.868300      0.000000      0.231900
C        0.669800      1.253200      0.177000
C        2.142100      1.257200     -0.247700
C       -0.071600     -0.000000     -0.322600
C        2.142100     -1.257200     -0.247700
H        2.903000      0.000000      1.330800
H        0.619100      1.295700      1.274200
H        2.199600      1.310500     -1.344300
H        0.011600     -0.000000     -1.422800
H        2.199600     -1.310600     -1.344300
H        0.619100     -1.295700      1.274200
H        3.907300      0.000000     -0.117900
H        0.188500      2.162500     -0.196900
H        2.638500      2.155900      0.137200
H        2.638500     -2.155900      0.137200
C       -1.601300      0.000000     -0.017100
C       -1.895900      0.000100      1.491000
H       -1.485300      0.886700      1.985900
H       -1.485300     -0.886500      1.986000
H       -2.978700      0.000000      1.663000
C       -2.257800     -1.241200     -0.646600
H       -3.348700     -1.181500     -0.557300
H       -1.943300     -2.168400     -0.157500
H       -2.013100     -1.319900     -1.713100
C       -2.257800      1.241200     -0.646800
H       -2.013100      1.319700     -1.713200
H       -1.943300      2.168400     -0.157800
H       -3.348700      1.181500     -0.557400

30
ax wB97x-D/6-31G*
H        0.153300      2.173000     -0.786800
C        0.744000      1.252400     -0.794200
C        2.638700      0.005600      0.288600
C        0.705700     -1.261500     -0.775400
C        1.781500     -1.261100      0.321900
C       -0.172800      0.009900     -0.843400
C        1.764700      1.259500      0.346300
H        3.223800      0.024800     -0.642400
H        1.219200     -1.356600     -1.742500
H        1.321600     -1.349800      1.311600
H        1.256800      1.313700      1.317600
H        1.308600      1.268800     -1.738000
H        3.359500     -0.003000      1.114600
H        0.082800     -2.158300     -0.678500
H        2.416100     -2.146900      0.196900
H        2.388400      2.158600      0.272900
H       -0.611800      0.023300     -1.851700
C       -1.427000      0.006400      0.098000
C       -2.464600     -0.964800     -0.496800
H       -2.786500     -0.636500     -1.492200
H       -3.354000     -1.017600      0.142000
H       -2.067300     -1.981300     -0.590600
C       -1.150000     -0.436700      1.543300
H       -0.396800      0.187100      2.033400
H       -0.815600     -1.478200      1.590000
H       -2.071500     -0.364500      2.133800
C       -2.069700      1.402200      0.137800
H       -2.225500      1.800300     -0.872400
H       -1.456800      2.118500      0.695400
H       -3.047400      1.353800      0.631200

30
eq M06-2X/6-31G*
H        0.169600     -2.156400     -0.169200
C        0.664900     -1.243900      0.178800
C        2.860500     -0.007000      0.235100
C        0.667300      1.258700      0.172900
C        2.141700      1.253700     -0.244500
C       -0.072200      0.006800     -0.328500
C        2.132600     -1.257800     -0.257200
H        2.883100     -0.014000      1.333900
H        0.606400      1.306100      1.270000
H        2.200800      1.303800     -1.340900
H        0.012700      0.010400     -1.429200
H        2.184000     -1.297900     -1.354300
H        0.628300     -1.261400      1.277300
H        3.902100     -0.007600     -0.104700
H        0.192200      2.166400     -0.211600
H        2.641800      2.150000      0.139200
H        2.627000     -2.161400      0.116400
C       -1.597000     -0.001100     -0.018500
C       -1.880600     -0.200900      1.476400
H       -1.375500      0.553500      2.089400
H       -1.561900     -1.190000      1.820500
H       -2.956300     -0.115900      1.667600
C       -2.276800     -1.132100     -0.804400
H       -3.359100     -1.114400     -0.634300
H       -1.915400     -2.119900     -0.503900
H       -2.104300     -1.019100     -1.881100
C       -2.233800      1.322700     -0.466400
H       -1.958200      1.563900     -1.500300
H       -1.931000      2.158900      0.170800
H       -3.325900      1.251300     -0.417700

30
ax M06-2X/6-31G*
H        0.154700      2.173600     -0.800800
C        0.744200      1.252500     -0.797500
C        2.629300      0.005100      0.286000
C        0.698500     -1.260500     -0.777600
C        1.770600     -1.259800      0.323400
C       -0.173600      0.013000     -0.849000
C        1.752800      1.256200      0.353000
H        3.204300      0.027700     -0.650800
H        1.216800     -1.358700     -1.741600
H        1.309400     -1.341600      1.312800
H        1.235600      1.296200      1.320200
H        1.319900      1.261400     -1.734500
H        3.356900     -0.005800      1.105100
H        0.069600     -2.153600     -0.681400
H        2.402500     -2.147400      0.203000
H        2.373000      2.158000      0.294500
H       -0.615300      0.028500     -1.856500
C       -1.419500      0.008300      0.097300
C       -2.476600     -0.921400     -0.522300
H       -2.804700     -0.545400     -1.497900
H       -3.357200     -0.989100      0.126300
H       -2.091200     -1.936500     -0.664400
C       -1.146300     -0.491000      1.523200
H       -0.386200      0.104400      2.037200
H       -0.825500     -1.537700      1.529000
H       -2.068400     -0.428400      2.112800
C       -2.030900      1.412400      0.187800
H       -2.192900      1.841200     -0.808300
H       -1.391600      2.097800      0.754300
H       -3.000900      1.367800      0.695500

30
eq wB97x-V/6-31G*
H        0.220752     -2.169067      0.199909
C       -0.089048     -1.263037      0.736008
C        0.106442     -0.038894      2.945207
C       -0.087580      1.245823      0.768382
C        0.504496      1.230467      2.185202
C        0.330194      0.001340     -0.040552
C        0.505740     -1.287006      2.151354
H       -0.984396     -0.041726      3.100183
H       -1.186089      1.283999      0.843388
H        1.603016      1.281618      2.117163
H        1.435570      0.002225     -0.079998
H        1.604213     -1.335254      2.080746
H       -1.187374     -1.298170      0.813668
H        0.569185     -0.051816      3.941765
H        0.228286      2.164328      0.257915
H        0.180594      2.124728      2.735714
H        0.182998     -2.196065      2.677772
C       -0.145672      0.019299     -1.526557
C       -1.679196     -0.010139     -1.650649
H       -2.144721      0.852814     -1.157265
H       -2.105941     -0.923432     -1.216656
H       -1.971149      0.018746     -2.709500
C        0.432994     -1.198181     -2.272910
H        0.210190     -1.127166     -3.346123
H        0.009604     -2.144101     -1.914468
H        1.525296     -1.248573     -2.159481
C        0.381261      1.285827     -2.228292
H        1.467585      1.389347     -2.094578
H       -0.096714      2.197713     -1.850598
H        0.179463      1.234353     -3.306751

30
ax wB97x-V/6-31G*
H       -2.069950      1.080466      0.088375
C       -1.164993      1.024397      0.704904
C       -0.090348     -0.043494      2.713687
C        1.333804      0.703294      0.738356
C        1.178455     -0.302829      1.893598
C        0.094460      0.856790     -0.178671
C       -1.327927     -0.027152      1.809798
H       -0.006241      0.932446      3.218701
H        1.536872      1.690143      1.183813
H        1.149116     -1.331006      1.511150
H       -1.485769     -1.025626      1.376548
H       -1.078619      2.006083      1.198902
H       -0.194526     -0.801047      3.502807
H        2.225039      0.452231      0.146719
H        2.064602     -0.239325      2.541149
H       -2.226308      0.200190      2.400963
H        0.211403      1.825731     -0.691756
C        0.009931     -0.171851     -1.359603
C        1.067344      0.225113     -2.410504
H        0.867384      1.228716     -2.810547
H        1.057583     -0.480548     -3.252428
H        2.081936      0.224946     -1.991796
C        0.272084     -1.637627     -0.968496
H       -0.427843     -2.000255     -0.206503
H        1.293628     -1.781614     -0.594965
H        0.155447     -2.278458     -1.853807
C       -1.368613     -0.094211     -2.040290
H       -1.637468      0.943533     -2.283412
H       -2.162096     -0.513392     -1.408243
H       -1.358385     -0.665643     -2.978449

30
eq MP2/6-31G*
H       -0.184100      2.161700     -0.175400
C       -0.668100      1.248800      0.186500
C       -2.862900     -0.000000      0.226300
C       -0.668100     -1.248800      0.186400
C       -2.135000     -1.254000     -0.250500
C        0.071600      0.000000     -0.316900
C       -2.135000      1.254000     -0.250400
H       -2.902200     -0.000100      1.324400
H       -0.626700     -1.281100      1.283700
H       -2.183300     -1.305100     -1.347100
H       -0.014300      0.000100     -1.417800
H       -2.183400      1.305300     -1.346900
H       -0.626600      1.281100      1.283800
H       -3.901500     -0.000000     -0.126800
H       -0.184100     -2.161700     -0.175500
H       -2.634800     -2.154500      0.127500
H       -2.634900      2.154400      0.127800
C        1.596800     -0.000000     -0.018000
C        1.894800     -0.000600      1.484700
H        1.486600     -0.887600      1.978400
H        1.486100      0.885900      1.979100
H        2.978400     -0.000300      1.648600
C        2.250000      1.237000     -0.648100
H        3.339800      1.175800     -0.553300
H        1.931400      2.163800     -0.164100
H        2.008400      1.306600     -1.715100
C        2.250100     -1.236500     -0.649100
H        2.008700     -1.305100     -1.716200
H        1.931300     -2.163700     -0.165900
H        3.339900     -1.175500     -0.553900

30
ax MP2/6-31G*
H        0.154700      2.174100     -0.771700
C        0.743800      1.252400     -0.782600
C        2.639500      0.000500      0.278500
C        0.703000     -1.256200     -0.772400
C        1.776500     -1.258500      0.323500
C       -0.173500      0.013300     -0.835900
C        1.770200      1.253700      0.350300
H        3.210900      0.018100     -0.660300
H        1.219900     -1.344800     -1.738700
H        1.319300     -1.338600      1.313900
H        1.273500      1.304300      1.326200
H        1.305500      1.270200     -1.728300
H        3.373100     -0.011600      1.093900
H        0.080400     -2.154100     -0.684300
H        2.405100     -2.149900      0.201500
H        2.394800      2.152700      0.274100
H       -0.613700      0.030900     -1.845400
C       -1.425000      0.006600      0.097600
C       -2.445500     -0.985500     -0.481500
H       -2.750300     -0.687100     -1.490700
H       -3.343000     -1.017200      0.146200
H       -2.043300     -2.001600     -0.534600
C       -1.152400     -0.404900      1.548600
H       -0.421300      0.245200      2.035100
H       -0.797900     -1.437000      1.615200
H       -2.084200     -0.341900      2.122800
C       -2.085400      1.390100      0.105900
H       -2.249200      1.757800     -0.913600
H       -1.482000      2.127000      0.643800
H       -3.060100      1.335400      0.603400

30
eq HF/6-311+G**
H       -0.203200      2.154600     -0.189900
C       -0.675600      1.253000      0.183100
C       -2.878100      0.000000      0.223600
C       -0.675700     -1.253100      0.183100
C       -2.147100     -1.257100     -0.244300
C        0.069700     -0.000100     -0.315200
C       -2.146900      1.257100     -0.244300
H       -2.934700      0.000000      1.312200
H       -0.627900     -1.301400      1.269700
H       -2.204900     -1.323200     -1.330700
H       -0.012600     -0.000000     -1.404300
H       -2.204800      1.323200     -1.330700
H       -0.627800      1.301300      1.269800
H       -3.902500      0.000100     -0.141200
H       -0.203400     -2.154700     -0.189900
H       -2.638500     -2.145400      0.145600
H       -2.638300      2.145500      0.145700
C        1.603800     -0.000000     -0.016800
C        1.918100     -0.001200      1.489200
H        1.520400     -0.880000      1.986600
H        1.519600      0.876400      1.988100
H        2.994200     -0.000900      1.644500
C        2.260300      1.240700     -0.651400
H        3.341800      1.178400     -0.567000
H        1.954000      2.162000     -0.168900
H        2.016800      1.318400     -1.708500
C        2.260900     -1.239400     -0.653500
H        2.017400     -1.315400     -1.710800
H        1.955200     -2.161600     -0.172500
H        3.342500     -1.176600     -0.569100

30
ax HF/6-311+G**
H        0.166200      2.169300     -0.729900
C        0.748600      1.257000     -0.767300
C        2.668300     -0.000900      0.272800
C        0.714600     -1.257800     -0.760400
C        1.804300     -1.260700      0.321900
C       -0.169700      0.012400     -0.822000
C        1.803500      1.257100      0.342700
H        3.239500      0.011300     -0.655600
H        1.213200     -1.346800     -1.725100
H        1.363700     -1.347900      1.309700
H        1.334800      1.324900      1.321100
H        1.282000      1.289800     -1.717400
H        3.392700     -0.011300      1.083600
H        0.105300     -2.150000     -0.661900
H        2.427000     -2.142500      0.187500
H        2.426300      2.143200      0.241400
H       -0.591800      0.027600     -1.825200
C       -1.443400      0.005100      0.096800
C       -2.443900     -1.018800     -0.477000
H       -2.732700     -0.758200     -1.492100
H       -3.347800     -1.044800      0.125900
H       -2.039300     -2.025100     -0.495000
C       -1.189800     -0.364400      1.568500
H       -0.481600      0.302200      2.046800
H       -0.823700     -1.379900      1.673300
H       -2.121400     -0.300200      2.125400
C       -2.134300      1.380400      0.061100
H       -2.275400      1.729600     -0.958900
H       -1.571100      2.135700      0.599300
H       -3.114800      1.317400      0.525300

30
eq B3LYP/6-311+G**
H        0.195000     -2.164400     -0.197200
C        0.674900     -1.257400      0.178400
C        2.884000      0.000000      0.225700
C        0.674900      1.257400      0.178400
C        2.152500      1.262200     -0.244600
C       -0.070900      0.000000     -0.319500
C        2.152500     -1.262200     -0.244600
H        2.936900      0.000000      1.322500
H        0.621600      1.305200      1.273400
H        2.213300      1.327900     -1.339000
H        0.008000     -0.000000     -1.417900
H        2.213300     -1.327900     -1.339000
H        0.621600     -1.305200      1.273400
H        3.917800      0.000000     -0.136000
H        0.195000      2.164400     -0.197200
H        2.647400      2.157400      0.146900
H        2.647400     -2.157400      0.146900
C       -1.610300      0.000000     -0.016300
C       -1.911400      0.000000      1.495900
H       -1.504200      0.884400      1.992900
H       -1.504200     -0.884400      1.992900
H       -2.993000      0.000000      1.664400
C       -2.268200     -1.243900     -0.651200
H       -3.356400     -1.190600     -0.549800
H       -1.943600     -2.172600     -0.176900
H       -2.037400     -1.311800     -1.719600
C       -2.268200      1.243900     -0.651300
H       -2.037400      1.311800     -1.719600
H       -1.943600      2.172600     -0.176900
H       -3.356400      1.190600     -0.549800

30
ax B3LYP/6-311+G**
H        0.143300      2.175700     -0.711600
C        0.741000      1.263500     -0.765700
C        2.676300     -0.000500      0.266200
C        0.717000     -1.263800     -0.760900
C        1.809700     -1.264000      0.323900
C       -0.170900      0.008800     -0.823800
C        1.809000      1.261500      0.339100
H        3.243700      0.008600     -0.674200
H        1.218400     -1.355900     -1.733100
H        1.363300     -1.343900      1.319500
H        1.343000      1.327100      1.328200
H        1.268400      1.315300     -1.727600
H        3.414000     -0.007900      1.075500
H        0.100700     -2.161400     -0.663300
H        2.435100     -2.154700      0.197600
H        2.434300      2.155300      0.236700
H       -0.601800      0.019500     -1.833500
C       -1.448600      0.003600      0.098600
C       -2.405600     -1.103100     -0.399900
H       -2.677700     -0.947300     -1.448700
H       -3.329100     -1.100600      0.187200
H       -1.968000     -2.100300     -0.311800
C       -1.172100     -0.246500      1.594800
H       -0.503800      0.503200      2.023000
H       -0.735200     -1.232100      1.769800
H       -2.111700     -0.204600      2.155700
C       -2.196400      1.347300     -0.036600
H       -2.360800      1.609800     -1.086800
H       -1.656100      2.170700      0.436400
H       -3.176400      1.282800      0.446200

30
eq B3LYP-D3/6-311+G**
H        0.191400     -2.163900     -0.191400
C        0.673000     -1.256100      0.179000
C        2.878400      0.000000      0.229100
C        0.673000      1.256100      0.179000
C        2.148800      1.260700     -0.247700
C       -0.071300      0.000000     -0.321700
C        2.148800     -1.260700     -0.247700
H        2.918100      0.000000      1.326400
H        0.622500      1.296400      1.274000
H        2.205500      1.317100     -1.342800
H        0.010400      0.000000     -1.419900
H        2.205500     -1.317100     -1.342800
H        0.622500     -1.296400      1.274000
H        3.915200     -0.000000     -0.123100
H        0.191400      2.163900     -0.191400
H        2.645100      2.158000      0.136900
H        2.645100     -2.158000      0.136900
C       -1.607800      0.000000     -0.017100
C       -1.903300      0.000000      1.495200
H       -1.493000      0.884700      1.988600
H       -1.492900     -0.884700      1.988600
H       -2.984200     -0.000000      1.667400
C       -2.265700     -1.244400     -0.649600
H       -3.353900     -1.191900     -0.548100
H       -1.939800     -2.170800     -0.172000
H       -2.032600     -1.313500     -1.717200
C       -2.265700      1.244400     -0.649600
H       -2.032600      1.313500     -1.717200
H       -1.939800      2.170800     -0.172000
H       -3.353900      1.191900     -0.548100

30
ax B3LYP-D3/6-311+G**
H        0.150800      2.175900     -0.759500
C        0.742800      1.259400     -0.784500
C        2.656500      0.002900      0.278400
C        0.710000     -1.263700     -0.771700
C        1.793500     -1.263600      0.323000
C       -0.173300      0.010200     -0.837600
C        1.783400      1.261500      0.344200
H        3.231500      0.018100     -0.657300
H        1.218800     -1.356400     -1.739700
H        1.338300     -1.345600      1.313300
H        1.291300      1.316300      1.320900
H        1.292600      1.288900     -1.734800
H        3.385700     -0.005300      1.095200
H        0.089700     -2.158700     -0.675600
H        2.422700     -2.151900      0.200400
H        2.406500      2.158700      0.263000
H       -0.610000      0.022800     -1.844700
C       -1.437900      0.005500      0.098900
C       -2.438200     -1.038000     -0.447600
H       -2.743700     -0.793000     -1.469600
H       -3.339400     -1.066500      0.172600
H       -2.015700     -2.045700     -0.455900
C       -1.149300     -0.344100      1.571500
H       -0.431600      0.341500      2.024800
H       -0.764000     -1.360500      1.676800
H       -2.074800     -0.284900      2.153600
C       -2.134900      1.380200      0.054800
H       -2.298900      1.710900     -0.975900
H       -1.554400      2.149800      0.569200
H       -3.110900      1.324400      0.546500

30
eq wB97x-D/6-311+G**
H        0.187000     -2.158800     -0.198100
C        0.668200     -1.252000      0.175800
C        2.864700     -0.000000      0.231100
C        0.668200      1.252000      0.175800
C        2.139200      1.256300     -0.246800
C       -0.071500      0.000000     -0.323100
C        2.139200     -1.256300     -0.246800
H        2.901100     -0.000000      1.328400
H        0.615800      1.293800      1.271300
H        2.197800      1.311500     -1.341700
H        0.009300      0.000000     -1.421900
H        2.197800     -1.311500     -1.341700
H        0.615800     -1.293800      1.271300
H        3.901700     -0.000000     -0.118900
H        0.187000      2.158800     -0.198100
H        2.634600      2.153000      0.138700
H        2.634600     -2.153000      0.138700
C       -1.599700      0.000000     -0.016900
C       -1.891100      0.000000      1.490500
H       -1.480300      0.885300      1.983300
H       -1.480300     -0.885300      1.983300
H       -2.971900      0.000000      1.663700
C       -2.255200     -1.240300     -0.645600
H       -3.344000     -1.181400     -0.554100
H       -1.938600     -2.165600     -0.158900
H       -2.012500     -1.316500     -1.710900
C       -2.255200      1.240300     -0.645600
H       -2.012500      1.316500     -1.710900
H       -1.938600      2.165600     -0.158900
H       -3.344000      1.181400     -0.554200

30
ax wB97x-D/6-311+G**
H        0.150000      2.169200     -0.784500
C        0.741400      1.251700     -0.793400
C        2.635800      0.006300      0.287500
C        0.704100     -1.261000     -0.773700
C        1.780500     -1.259800      0.320900
C       -0.172400      0.009500     -0.842300
C        1.762200      1.258700      0.345000
H        3.220600      0.025800     -0.641900
H        1.214300     -1.358400     -1.740400
H        1.322800     -1.349600      1.309500
H        1.256000      1.313200      1.315000
H        1.303200      1.270200     -1.736900
H        3.355400     -0.001900      1.112000
H        0.080900     -2.154800     -0.675000
H        2.414700     -2.143400      0.195100
H        2.384700      2.156300      0.271400
H       -0.611800      0.021300     -1.848300
C       -1.425600      0.006400      0.098400
C       -2.458800     -0.970000     -0.492000
H       -2.778200     -0.648200     -1.488200
H       -3.347600     -1.020100      0.144800
H       -2.059800     -1.984300     -0.578300
C       -1.145800     -0.429000      1.544400
H       -0.396000      0.199100      2.029400
H       -0.807900     -1.467100      1.594700
H       -2.066300     -0.357700      2.133100
C       -2.071300      1.399200      0.131700
H       -2.229600      1.790300     -0.878800
H       -1.460100      2.118800      0.683200
H       -3.046200      1.349700      0.626400

30
eq M06-2X/6-311+G**
H        0.169500     -2.152900     -0.167500
C        0.664000     -1.242500      0.179300
C        2.859800     -0.007700      0.234400
C        0.666900      1.259000      0.172800
C        2.141400      1.253400     -0.243800
C       -0.071600      0.007600     -0.329400
C        2.131200     -1.257800     -0.257400
H        2.884300     -0.015100      1.331100
H        0.604800      1.306200      1.267600
H        2.201000      1.305300     -1.338000
H        0.011700      0.011300     -1.427700
H        2.182600     -1.299200     -1.352300
H        0.628400     -1.257300      1.275600
H        3.898500     -0.008500     -0.107200
H        0.194500      2.164400     -0.213300
H        2.640400      2.146800      0.141700
H        2.623800     -2.159300      0.117400
C       -1.596400     -0.001200     -0.018500
C       -1.879600     -0.223100      1.473200
H       -1.364500      0.513000      2.096200
H       -1.574200     -1.220400      1.797900
H       -2.951900     -0.127000      1.666400
C       -2.278200     -1.118900     -0.821300
H       -3.357300     -1.106600     -0.643900
H       -1.913000     -2.109000     -0.542200
H       -2.113000     -0.983600     -1.894500
C       -2.231100      1.330300     -0.445900
H       -1.950700      1.588600     -1.472200
H       -1.931900      2.152600      0.207100
H       -3.321100      1.256500     -0.403600

30
ax M06-2X/6-311+G**
H        0.156000      2.170800     -0.804100
C        0.744300      1.251900     -0.798800
C        2.628200      0.006000      0.287900
C        0.698500     -1.260700     -0.777200
C        1.771000     -1.259700      0.323300
C       -0.172600      0.012800     -0.849300
C        1.750700      1.256400      0.353200
H        3.204900      0.029500     -0.645300
H        1.214900     -1.359400     -1.739600
H        1.312200     -1.344500      1.310800
H        1.233100      1.297100      1.317400
H        1.319800      1.259000     -1.733500
H        3.351200     -0.004500      1.108000
H        0.070400     -2.151000     -0.679900
H        2.403700     -2.143600      0.199900
H        2.369800      2.156200      0.294300
H       -0.613300      0.026800     -1.854300
C       -1.418900      0.008400      0.097300
C       -2.480000     -0.911900     -0.529600
H       -2.807500     -0.524600     -1.498500
H       -3.357400     -0.982500      0.119400
H       -2.098200     -1.924500     -0.682000
C       -1.148900     -0.502700      1.519800
H       -0.387800      0.084000      2.036600
H       -0.836100     -1.549500      1.517300
H       -2.070300     -0.438200      2.106300
C       -2.023600      1.414500      0.198000
H       -2.183600      1.849600     -0.793300
H       -1.381900      2.090600      0.768800
H       -2.991700      1.368700      0.704500

30
eq wB97x-V/6-311+G**
H        0.227985     -2.165748      0.198393
C       -0.085379     -1.263108      0.734134
C        0.108300     -0.039862      2.941967
C       -0.092489      1.243321      0.767745
C        0.499616      1.230151      2.182647
C        0.328936      0.001923     -0.040314
C        0.508542     -1.285716      2.148059
H       -0.980674     -0.046051      3.100027
H       -1.189679      1.276386      0.842991
H        1.596457      1.286933      2.114341
H        1.432923      0.006210     -0.080946
H        1.605688     -1.332881      2.077538
H       -1.182208     -1.301963      0.810802
H        0.572746     -0.051772      3.935824
H        0.218974      2.161273      0.257713
H        0.172343      2.121192      2.732876
H        0.187808     -2.193860      2.673625
C       -0.145812      0.019860     -1.525074
C       -1.678362     -0.004781     -1.648822
H       -2.140015      0.860981     -1.160799
H       -2.107346     -0.913281     -1.211508
H       -1.968920      0.020068     -2.706445
C        0.429065     -1.199374     -2.268820
H        0.210013     -1.126752     -3.340960
H        0.000775     -2.141514     -1.911854
H        1.519216     -1.253950     -2.152077
C        0.385462      1.283329     -2.226275
H        1.470755      1.381336     -2.093309
H       -0.087637      2.195544     -1.848614
H        0.182918      1.232106     -3.302863

30
ax wB97x-V/6-311+G**
H       -2.067172      1.077381      0.087187
C       -1.164397      1.022842      0.703548
C       -0.090147     -0.043425      2.711124
C        1.332956      0.701188      0.736580
C        1.177627     -0.302337      1.892269
C        0.094094      0.855535     -0.177923
C       -1.326508     -0.027070      1.808114
H       -0.006587      0.930964      3.216211
H        1.538725      1.687124      1.179138
H        1.149227     -1.329550      1.511870
H       -1.484471     -1.024262      1.376014
H       -1.079566      2.004085      1.195415
H       -0.194076     -0.800127      3.498643
H        2.220909      0.448289      0.144460
H        2.062150     -0.237576      2.538972
H       -2.223396      0.199950      2.398418
H        0.211862      1.822633     -0.690611
C        0.009421     -0.171723     -1.358537
C        1.066610      0.226100     -2.407569
H        0.865500      1.228178     -2.806238
H        1.057586     -0.478501     -3.248191
H        2.079175      0.226595     -1.988653
C        0.271550     -1.636325     -0.966901
H       -0.427924     -1.997849     -0.206706
H        1.291326     -1.779069     -0.593303
H        0.155933     -2.275461     -1.851508
C       -1.367958     -0.093695     -2.038443
H       -1.635544      0.942652     -2.281451
H       -2.160172     -0.511807     -1.407090
H       -1.356731     -0.664738     -2.974837

30
eq MP2/6-311+G**
H       -0.178600      2.161200     -0.174900
C       -0.666200      1.250600      0.188000
C       -2.862500     -0.000000      0.228800
C       -0.666200     -1.250600      0.188000
C       -2.134800     -1.256000     -0.252900
C        0.071200      0.000000     -0.318200
C       -2.134900      1.256000     -0.252800
H       -2.892600     -0.000100      1.327600
H       -0.627400     -1.276600      1.286300
H       -2.179000     -1.300400     -1.350400
H       -0.015100      0.000100     -1.419800
H       -2.179000      1.300400     -1.350300
H       -0.627300      1.276800      1.286200
H       -3.901800     -0.000000     -0.121300
H       -0.178500     -2.161200     -0.174700
H       -2.634900     -2.156600      0.123700
H       -2.635000      2.156600      0.123900
C        1.596200     -0.000000     -0.018200
C        1.892800     -0.001000      1.487200
H        1.483800     -0.889800      1.978800
H        1.482800      0.886500      1.980200
H        2.977300     -0.000600      1.650400
C        2.248900      1.239700     -0.648500
H        3.339800      1.173700     -0.562900
H        1.935200      2.164500     -0.155700
H        1.996500      1.313400     -1.713600
C        2.249100     -1.238700     -0.650300
H        1.997200     -1.310600     -1.715600
H        1.935100     -2.164400     -0.159200
H        3.340000     -1.173000     -0.564000

30
ax MP2/6-311+G**
H        0.150300      2.172700     -0.795400
C        0.742200      1.252800     -0.794400
C        2.632900      0.005300      0.282800
C        0.700500     -1.260500     -0.776700
C        1.772400     -1.259500      0.325200
C       -0.173300      0.011700     -0.844300
C        1.755000      1.256500      0.354000
H        3.202600      0.027200     -0.657400
H        1.219300     -1.353600     -1.741900
H        1.311400     -1.340000      1.314200
H        1.242900      1.295500      1.323000
H        1.316200      1.261600     -1.733400
H        3.363100     -0.005300      1.100900
H        0.071800     -2.153700     -0.683300
H        2.404900     -2.147700      0.202400
H        2.375800      2.158800      0.290200
H       -0.618500      0.025600     -1.851600
C       -1.418900      0.007000      0.098200
C       -2.460200     -0.951900     -0.504300
H       -2.789300     -0.596900     -1.488000
H       -3.340300     -1.016300      0.146400
H       -2.058200     -1.963400     -0.623700
C       -1.146500     -0.451700      1.538100
H       -0.394300      0.165900      2.036200
H       -0.819100     -1.495500      1.572400
H       -2.074500     -0.379000      2.118800
C       -2.053100      1.403500      0.150000
H       -2.206600      1.806000     -0.858700
H       -1.434000      2.109800      0.713000
H       -3.030300      1.349100      0.644400
