24
eq-a HF/6-31G*
C       -0.563700     -0.243500     -0.221300
C        1.374000      1.410000     -0.182400
C        1.849800     -1.063500     -0.311500
C        2.343400      0.290600      0.202300
C        0.423700     -1.355900      0.162700
C       -0.052600      1.112200      0.290500
H        1.374900      1.528300     -1.265000
H        1.874000     -1.064500     -1.400200
H        2.435900      0.251800      1.286800
H        0.423500     -1.471500      1.246500
H       -0.076400      1.110000      1.380400
H       -0.598300     -0.195100     -1.311100
H        1.710100      2.356800      0.232000
H        2.519000     -1.855800      0.013600
H        3.335800      0.502300     -0.186900
H        0.085400     -2.304000     -0.248200
H       -0.711800      1.912100     -0.031700
C       -1.976800     -0.577300      0.277500
H       -1.977000     -0.590500      1.366100
H       -2.221000     -1.589800     -0.036500
C       -3.077400      0.362600     -0.218600
H       -3.087100      0.415400     -1.304000
H       -2.955900      1.371400      0.160900
H       -4.053500      0.011400      0.102000

24
eq-g HF/6-31G*
C        0.658000      0.478400      0.000000
C       -0.018100     -1.615800      1.264300
C       -0.018100     -1.615800     -1.264300
C       -0.672000     -2.179800      0.000000
C       -0.018100     -0.083600     -1.259300
C       -0.018100     -0.083600      1.259300
H        1.007800     -1.975300      1.329100
H        1.007800     -1.975300     -1.329100
H       -1.730800     -1.924700      0.000000
H       -1.046300      0.267700     -1.314500
H       -1.046300      0.267700      1.314500
H        1.683500      0.106300      0.000000
H       -0.531900     -1.985200      2.147900
H       -0.531900     -1.985200     -2.147900
H       -0.614600     -3.265100      0.000000
H        0.486200      0.290100     -2.147700
H        0.486200      0.290100      2.147700
C        0.766900      2.012800      0.000000
H        1.348800      2.313100     -0.868900
H        1.348800      2.313100      0.868900
C       -0.549900      2.794600      0.000000
H       -1.150900      2.578500      0.877000
H       -1.150900      2.578500     -0.877000
H       -0.349900      3.861900      0.000000

24
ax-a HF/6-31G*
H       -1.382500      2.431300     -0.092500
C       -0.987700      1.436000     -0.278800
C        0.578600     -0.358200      0.673200
C       -1.606000     -1.007000     -0.506300
C       -0.592000     -1.355400      0.589600
C       -2.133000      0.421500     -0.343200
C        0.020800      1.070600      0.816600
H       -1.147500     -1.114100     -1.486600
H       -1.109000     -1.363000      1.547800
H       -2.716000      0.483900      0.574600
H       -0.477700      1.144400      1.781800
H       -0.490100      1.482000     -1.244900
H        1.133100     -0.585200      1.582700
H       -2.431300     -1.713700     -0.477300
H       -0.211100     -2.362500      0.439200
H       -2.809300      0.668300     -1.157500
H        0.826700      1.797300      0.839300
C        1.566100     -0.532000     -0.495400
H        1.814600     -1.588500     -0.569600
H        1.097100     -0.269700     -1.439000
C        2.867200      0.259900     -0.348400
H        3.557100      0.014200     -1.150200
H        3.361000      0.031500      0.592200
H        2.700800      1.331300     -0.382700

24
ax-g HF/6-31G*
H       -1.782300     -2.145800      0.436300
C       -1.154600     -1.258400      0.448700
C        0.606000      0.000000     -0.997300
C       -1.154600      1.258400      0.448700
C       -0.241300      1.273800     -0.783600
C       -2.022900      0.000000      0.483600
C       -0.241300     -1.273800     -0.783600
H       -0.569700      1.311300      1.361800
H       -0.876600      1.400000     -1.658800
H       -2.695200      0.000000     -0.373400
H       -0.876600     -1.400000     -1.658800
H       -0.569700     -1.311300      1.361800
H        0.875300      0.000000     -2.051700
H       -1.782300      2.145800      0.436300
H        0.408300      2.145500     -0.755800
H       -2.650100     -0.000000      1.371100
H        0.408300     -2.145500     -0.755800
C        1.975600      0.000000     -0.284700
H        2.525700     -0.867300     -0.644500
H        2.525700      0.867300     -0.644500
C        2.039600     -0.000000      1.244800
H        3.077700      0.000000      1.564200
H        1.571600     -0.877400      1.676000
H        1.571600      0.877400      1.676000

24
eq-a B3LYP/6-31G*
C       -0.566200     -0.246300     -0.218500
C        1.376600      1.416400     -0.182100
C        1.857100     -1.066700     -0.313600
C        2.351500      0.293400      0.199800
C        0.426900     -1.361700      0.163600
C       -0.053500      1.114100      0.294400
H        1.374400      1.535600     -1.275900
H        1.878300     -1.066600     -1.413600
H        2.446000      0.253700      1.295400
H        0.427600     -1.476200      1.258900
H       -0.074700      1.106700      1.395700
H       -0.600200     -0.195700     -1.320200
H        1.716400      2.374100      0.233200
H        2.535600     -1.866700      0.010000
H        3.354100      0.508400     -0.192300
H        0.082600     -2.320800     -0.246700
H       -0.725200      1.921100     -0.023100
C       -1.985400     -0.579000      0.278400
H       -1.985100     -0.589800      1.378600
H       -2.230000     -1.604600     -0.033000
C       -3.085900      0.363800     -0.222700
H       -3.107900      0.398400     -1.319300
H       -2.946100      1.388600      0.138400
H       -4.072600      0.029200      0.117700

24
eq-g B3LYP/6-31G*
C        0.663200      0.486000      0.000000
C       -0.010100     -1.620700      1.268600
C       -0.010100     -1.620700     -1.268600
C       -0.665800     -2.187000      0.000000
C       -0.010100     -0.083300     -1.264200
C       -0.010100     -0.083300      1.264200
H        1.027300     -1.981900      1.330900
H        1.027300     -1.981900     -1.330900
H       -1.735100     -1.927200      0.000000
H       -1.049300      0.271800     -1.320500
H       -1.049300      0.271800      1.320500
H        1.702400      0.116900      0.000000
H       -0.524300     -1.996500      2.162800
H       -0.524300     -1.996500     -2.162800
H       -0.611500     -3.283400      0.000000
H        0.497800      0.297300     -2.161100
H        0.497800      0.297300      2.161100
C        0.755600      2.027000      0.000000
H        1.340400      2.337300     -0.877600
H        1.340400      2.337300      0.877600
C       -0.576300      2.790000      0.000000
H       -1.180200      2.559300      0.884700
H       -1.180200      2.559300     -0.884700
H       -0.397100      3.871400      0.000000

24
ax-a B3LYP/6-31G*
H       -1.382800      2.449200     -0.098100
C       -0.988400      1.440900     -0.279300
C        0.580300     -0.361100      0.675300
C       -1.612000     -1.009200     -0.507800
C       -0.596000     -1.361000      0.592200
C       -2.139200      0.424700     -0.343200
C        0.023800      1.074600      0.819500
H       -1.143700     -1.113500     -1.496600
H       -1.118500     -1.368000      1.560200
H       -2.724700      0.487300      0.586700
H       -0.477400      1.152900      1.795600
H       -0.484300      1.480700     -1.255300
H        1.144100     -0.591600      1.592300
H       -2.444700     -1.724100     -0.486300
H       -0.211100     -2.378600      0.441100
H       -2.826400      0.675800     -1.161500
H        0.841500      1.805500      0.839900
C        1.568300     -0.531100     -0.500000
H        1.809800     -1.599900     -0.588700
H        1.089400     -0.254500     -1.448200
C        2.875400      0.256400     -0.348500
H        3.563900      0.035100     -1.172200
H        3.385300     -0.000400      0.588600
H        2.706400      1.339100     -0.346800

24
ax-g B3LYP/6-31G*
H        1.783500      2.160700      0.443800
C        1.149900      1.263900      0.448400
C       -0.609900      0.000000     -1.005900
C        1.149900     -1.263900      0.448400
C        0.242300     -1.277600     -0.794500
C        2.019400      0.000000      0.493600
C        0.242300      1.277600     -0.794500
H        0.548700     -1.317600      1.364800
H        0.889800     -1.399800     -1.675500
H        2.705600      0.000000     -0.367100
H        0.889800      1.399800     -1.675500
H        0.548700      1.317600      1.364800
H       -0.889200      0.000000     -2.070000
H        1.783500     -2.160700      0.443800
H       -0.412800     -2.159300     -0.776000
H        2.647500      0.000000      1.393800
H       -0.412800      2.159300     -0.776000
C       -1.978100      0.000000     -0.278200
H       -2.537600      0.876000     -0.637500
H       -2.537600     -0.876000     -0.637500
C       -2.024600      0.000000      1.255700
H       -3.067100      0.000000      1.596600
H       -1.543700      0.885000      1.684900
H       -1.543700     -0.885000      1.684900

24
eq-a B3LYP-D3/6-31G*
C        0.564900     -0.251100      0.223000
C       -1.369200      1.416800      0.184000
C       -1.858500     -1.061500      0.314400
C       -2.345700      0.298300     -0.206300
C       -0.430400     -1.361700     -0.164200
C        0.059400      1.110200     -0.292400
H       -1.366700      1.525800      1.278900
H       -1.875700     -1.052900      1.414500
H       -2.426200      0.256500     -1.302900
H       -0.431600     -1.467700     -1.260300
H        0.080400      1.098400     -1.393700
H        0.595300     -0.200000      1.324700
H       -1.705100      2.378400     -0.224900
H       -2.540700     -1.860500     -0.003300
H       -3.351400      0.517200      0.175000
H       -0.089100     -2.324100      0.240700
H        0.734200      1.914700      0.024000
C        1.982300     -0.587500     -0.272400
H        1.978100     -0.611000     -1.372300
H        2.230900     -1.608100      0.051600
C        3.076900      0.368400      0.216100
H        3.085800      0.428000      1.311800
H        2.935800      1.383700     -0.170000
H        4.067800      0.029400     -0.107100

24
eq-g B3LYP-D3/6-31G*
C       -0.531000      0.000000     -0.630000
C        1.614100      1.267700     -0.107200
C        1.614100     -1.267700     -0.107300
C        2.222800     -0.000000      0.511300
C        0.081300     -1.262500      0.006000
C        0.081300      1.262400      0.006200
H        1.897000      1.322100     -1.169000
H        1.897000     -1.322000     -1.169200
H        2.028400     -0.000100      1.594400
H       -0.195100     -1.308300      1.069200
H       -0.195100      1.308200      1.069300
H       -0.231100      0.000100     -1.691200
H        2.027800      2.163400      0.373800
H        2.027800     -2.163400      0.373500
H        3.313400     -0.000000      0.387700
H       -0.339600     -2.160600     -0.466300
H       -0.339600      2.160700     -0.466100
C       -2.073100      0.000000     -0.613000
H       -2.425400     -0.878400     -1.172100
H       -2.425400      0.878600     -1.172000
C       -2.729500     -0.000000      0.774300
H       -2.449300      0.884600      1.356900
H       -2.449300     -0.884700      1.356800
H       -3.821700     -0.000000      0.682700

24
ax-a B3LYP-D3/6-31G*
H       -1.323100      2.463700     -0.091500
C       -0.945600      1.448500     -0.268800
C        0.573400     -0.386100      0.686900
C       -1.610600     -0.987600     -0.525400
C       -0.617700     -1.365700      0.587000
C       -2.114300      0.454200     -0.355300
C        0.036200      1.054200      0.846900
H       -1.127600     -1.090200     -1.506900
H       -1.153400     -1.365300      1.547700
H       -2.706300      0.519100      0.570200
H       -0.487700      1.120900      1.811700
H       -0.421400      1.479000     -1.234300
H        1.135700     -0.635600      1.599800
H       -2.455800     -1.687800     -0.523500
H       -0.249400     -2.389300      0.435500
H       -2.788100      0.724100     -1.178600
H        0.863000      1.772500      0.898700
C        1.553700     -0.554600     -0.493500
H        1.816300     -1.619400     -0.566900
H        1.059800     -0.303200     -1.440400
C        2.841800      0.266700     -0.365300
H        3.540200      0.032000     -1.176800
H        3.350300      0.057000      0.584300
H        2.645200      1.343900     -0.404500

24
ax-g B3LYP-D3/6-31G*
H        1.771400      2.161000      0.450300
C        1.140900      1.262200      0.448300
C       -0.613500      0.000000     -1.009100
C        1.140900     -1.262200      0.448300
C        0.238200     -1.276800     -0.797600
C        2.012600      0.000000      0.488300
C        0.238200      1.276800     -0.797600
H        0.536500     -1.306800      1.362500
H        0.890500     -1.395500     -1.675500
H        2.690800      0.000000     -0.378800
H        0.890500      1.395500     -1.675500
H        0.536500      1.306800      1.362500
H       -0.896500      0.000000     -2.072400
H        1.771400     -2.161000      0.450300
H       -0.416900     -2.158500     -0.782100
H        2.646600      0.000000      1.384100
H       -0.416900      2.158500     -0.782100
C       -1.974700      0.000000     -0.272000
H       -2.537500      0.876800     -0.623800
H       -2.537500     -0.876800     -0.623800
C       -1.996500      0.000000      1.261900
H       -3.032200      0.000000      1.622400
H       -1.506200      0.884800      1.679700
H       -1.506200     -0.884800      1.679700

24
eq-a wB97x-D/6-31G*
C        0.561700     -0.254500      0.229900
C       -1.360400      1.413800      0.183600
C       -1.856400     -1.055000      0.308700
C       -2.334700      0.302100     -0.213100
C       -0.431300     -1.358200     -0.161500
C        0.065900      1.105300     -0.282900
H       -1.364500      1.521500      1.277700
H       -1.879700     -1.046900      1.407800
H       -2.408600      0.261200     -1.309300
H       -0.427500     -1.463400     -1.257100
H        0.095400      1.098200     -1.383400
H        0.590400     -0.205600      1.331100
H       -1.690400      2.375000     -0.227700
H       -2.538000     -1.850500     -0.014900
H       -3.340100      0.523700      0.163700
H       -0.095200     -2.320200      0.245900
H        0.739300      1.905800      0.044300
C        1.973700     -0.594700     -0.263000
H        1.965900     -0.637000     -1.361600
H        2.225600     -1.607300      0.079400
C        3.062400      0.372000      0.202900
H        3.060500      0.467500      1.295200
H        2.927300      1.373000     -0.219500
H        4.053900      0.019500     -0.099800

24
eq-g wB97x-D/6-31G*
C       -0.528900     -0.000000     -0.627600
C        1.607600      1.263900     -0.107700
C        1.607600     -1.263900     -0.107700
C        2.215700      0.000000      0.507400
C        0.080000     -1.257800      0.008200
C        0.080000      1.257800      0.008200
H        1.888700      1.319500     -1.169100
H        1.888700     -1.319500     -1.169100
H        2.024700      0.000000      1.590200
H       -0.193800     -1.300800      1.071900
H       -0.193800      1.300800      1.071900
H       -0.227900     -0.000000     -1.687600
H        2.020500      2.157700      0.374700
H        2.020500     -2.157700      0.374700
H        3.304500      0.000000      0.378900
H       -0.341100     -2.155600     -0.462400
H       -0.341100      2.155600     -0.462400
C       -2.065600     -0.000000     -0.612200
H       -2.417400     -0.878100     -1.170200
H       -2.417400      0.878100     -1.170200
C       -2.718100      0.000000      0.771900
H       -2.437800      0.884900      1.353000
H       -2.437800     -0.884900      1.353000
H       -3.809200      0.000000      0.680200

24
ax-a wB97x-D/6-31G*
H       -1.275300      2.468600     -0.074600
C       -0.910200      1.451000     -0.256700
C        0.565400     -0.405900      0.691800
C       -1.609900     -0.966300     -0.535600
C       -0.632100     -1.366800      0.576000
C       -2.089300      0.478300     -0.361900
C        0.047900      1.033600      0.863800
H       -1.126000     -1.073200     -1.515500
H       -1.173100     -1.370300      1.532800
H       -2.689700      0.547600      0.556900
H       -0.487600      1.094800      1.821800
H       -0.374300      1.481200     -1.215300
H        1.120800     -0.670800      1.603300
H       -2.466700     -1.650400     -0.539000
H       -0.275100     -2.391800      0.414000
H       -2.747800      0.763200     -1.190900
H        0.883300      1.739300      0.935300
C        1.542900     -0.575100     -0.484200
H        1.829100     -1.634100     -0.534100
H        1.042400     -0.354900     -1.435100
C        2.806800      0.277800     -0.377700
H        3.520900      0.018800     -1.166300
H        3.304200      0.126300      0.587800
H        2.585900      1.346000     -0.474200

24
ax-g wB97x-D/6-31G*
H        1.769500      2.155100      0.446300
C        1.140300      1.256900      0.447200
C       -0.612100      0.000500     -1.004200
C        1.140100     -1.257300      0.446300
C        0.233700     -1.273500     -0.791100
C        2.010700     -0.000300      0.478800
C        0.234000      1.274100     -0.790200
H        0.542200     -1.298700      1.364400
H        0.880900     -1.399800     -1.670700
H        2.681300     -0.000100     -0.392900
H        0.881200      1.400900     -1.669700
H        0.542400      1.297800      1.365300
H       -0.891900      0.000900     -2.067000
H        1.769000     -2.155700      0.444800
H       -0.424800     -2.151300     -0.766500
H        2.649300     -0.000700      1.369800
H       -0.424300      2.152100     -0.765000
C       -1.970000      0.000400     -0.272500
H       -2.531700      0.877000     -0.623300
H       -2.532100     -0.875600     -0.624400
C       -1.990500     -0.000600      1.256700
H       -3.025600     -0.000400      1.615700
H       -1.500900      0.884300      1.674200
H       -1.501600     -0.886400      1.673000

24
eq-a M06-2X/6-31G*
C        0.559600     -0.261200      0.238200
C       -1.350400      1.414300      0.185600
C       -1.859300     -1.047900      0.307000
C       -2.326000      0.309200     -0.222800
C       -0.435800     -1.357500     -0.161000
C        0.075300      1.099900     -0.276700
H       -1.357900      1.511700      1.280300
H       -1.882000     -1.032000      1.405700
H       -2.383300      0.266600     -1.319600
H       -0.429600     -1.452300     -1.257600
H        0.107600      1.088800     -1.377300
H        0.584100     -0.213000      1.339900
H       -1.674100      2.379800     -0.219000
H       -2.544700     -1.840900     -0.012100
H       -3.334800      0.536100      0.139500
H       -0.103000     -2.323200      0.239100
H        0.753300      1.895600      0.051300
C        1.968900     -0.606700     -0.252300
H        1.954700     -0.670400     -1.349500
H        2.225700     -1.610900      0.109200
C        3.049600      0.378300      0.190200
H        3.035900      0.509500      1.278000
H        2.912400      1.362800     -0.266200
H        4.044800      0.022100     -0.091000

24
eq-g M06-2X/6-31G*
C        0.670400      0.476400      0.000000
C       -0.016900     -1.607100      1.262400
C       -0.016900     -1.607100     -1.262400
C       -0.681700     -2.162000      0.000000
C       -0.016900     -0.075700     -1.255000
C       -0.016900     -0.075700      1.255000
H        1.020400     -1.966700      1.310600
H        1.020400     -1.966700     -1.310600
H       -1.743300     -1.877400      0.000000
H       -1.057300      0.277400     -1.286200
H       -1.057300      0.277400      1.286200
H        1.700900      0.086000      0.000000
H       -0.524500     -1.983700      2.157300
H       -0.524500     -1.983700     -2.157300
H       -0.647300     -3.257100      0.000000
H        0.477200      0.313000     -2.154500
H        0.477200      0.313000      2.154500
C        0.776600      2.007600      0.000000
H        1.358400      2.315700     -0.878400
H        1.358400      2.315700      0.878400
C       -0.557400      2.755300      0.000000
H       -1.155200      2.515200      0.884600
H       -1.155200      2.515200     -0.884600
H       -0.391000      3.836400      0.000000

24
ax-a M06-2X/6-31G*
H       -1.214500      2.480200     -0.070200
C       -0.869700      1.455500     -0.247800
C        0.558300     -0.430000      0.698400
C       -1.610100     -0.943100     -0.550600
C       -0.651400     -1.370600      0.566800
C       -2.066200      0.506600     -0.363600
C        0.062900      1.013700      0.883700
H       -1.117200     -1.045000     -1.526100
H       -1.202100     -1.371500      1.517700
H       -2.662700      0.576800      0.557200
H       -0.489600      1.070000      1.832100
H       -0.321700      1.472000     -1.199900
H        1.112100     -0.713100      1.605200
H       -2.477100     -1.612900     -0.571600
H       -0.308300     -2.399100      0.399600
H       -2.720100      0.810700     -1.188400
H        0.909000      1.703200      0.979000
C        1.528800     -0.595800     -0.481200
H        1.833600     -1.649600     -0.520300
H        1.017500     -0.395800     -1.430500
C        2.772700      0.286100     -0.388000
H        3.500400      0.023000     -1.161100
H        3.261600      0.172300      0.586200
H        2.527000      1.344900     -0.515200

24
ax-g M06-2X/6-31G*
H        1.890200      1.952400      0.842100
C        1.210400      1.109300      0.673600
C       -0.609900      0.261100     -0.973800
C        1.052000     -1.348700      0.198300
C        0.149800     -1.080300     -1.013500
C        2.002900     -0.178300      0.449000
C        0.316600      1.413100     -0.533200
H        0.452400     -1.512300      1.101000
H        0.790600     -1.082300     -1.906100
H        2.660700     -0.050000     -0.422800
H        0.979600      1.651300     -1.377000
H        0.610900      1.006700      1.585900
H       -0.890300      0.487400     -2.011800
H        1.618500     -2.271400      0.028100
H       -0.565000     -1.903000     -1.145700
H        2.649900     -0.387700      1.308000
H       -0.282800      2.313400     -0.348900
C       -1.958300      0.199500     -0.230700
H       -2.399800      1.204400     -0.256600
H       -2.628500     -0.438500     -0.821900
C       -1.978900     -0.313200      1.209700
H       -2.996100     -0.258800      1.610200
H       -1.334800      0.272700      1.870900
H       -1.663100     -1.358900      1.267900

24
eq-a wB97x-V/6-31G*
C       -0.354841      0.168810     -0.464602
C        0.213239     -1.065957      1.690084
C        0.182909      1.458322      1.669052
C        0.835277      0.208679      2.273123
C        0.268073      1.439307      0.137602
C        0.295004     -1.078831      0.157299
H       -0.844021     -1.123203      1.994743
H       -0.875583      1.495879      1.972294
H        1.914053      0.219918      2.049583
H        1.326804      1.492352     -0.167334
H        1.353687     -1.115664     -0.151408
H       -1.426839      0.159345     -0.196154
H        0.708506     -1.956334      2.101643
H        0.657276      2.367365      2.064029
H        0.737841      0.216189      3.367556
H       -0.224466      2.328811     -0.281949
H       -0.178639     -1.991323     -0.229551
C       -0.249935      0.188035     -1.997203
H        0.814476      0.177347     -2.281239
H       -0.654482      1.144534     -2.361520
C       -0.980600     -0.961634     -2.698273
H       -2.036085     -0.997936     -2.395628
H       -0.532052     -1.934740     -2.464130
H       -0.949603     -0.839271     -3.788016

24
eq-g wB97x-V/6-31G*
C       -0.664898      0.000000     -0.470108
C       -0.142063     -1.265502      1.666983
C       -0.142063      1.265502      1.666983
C        0.478325      0.000000      2.273850
C       -0.023918      1.259302      0.136638
C       -0.023918     -1.259302      0.136638
H       -1.206101     -1.317385      1.947804
H       -1.206101      1.317385      1.947804
H        1.562316      0.000000      2.076554
H        1.042201      1.298293     -0.137574
H        1.042201     -1.298293     -0.137574
H       -1.726227      0.000000     -0.164988
H        0.338564     -2.162273      2.082003
H        0.338564      2.162273      2.082003
H        0.355212     -0.000000      3.365717
H       -0.493372      2.159851     -0.286777
H       -0.493372     -2.159851     -0.286777
C       -0.649857     -0.000000     -2.009530
H       -1.208514      0.880112     -2.362587
H       -1.208514     -0.880112     -2.362587
C        0.739342     -0.000000     -2.658807
H        1.320699     -0.886726     -2.376677
H        1.320700      0.886726     -2.376676
H        0.650796      0.000001     -3.752317

24
ax-a wB97x-V/6-31G*
H        0.680378      1.987475     -1.851776
C        0.630995      1.091026     -1.218184
C       -0.851740     -0.190669      0.426373
C        0.654340     -1.443165     -1.225748
C       -0.670557     -1.448014     -0.447679
C        0.792809     -0.172209     -2.075177
C       -0.699984      1.067039     -0.452822
H        1.501311     -1.508821     -0.526254
H       -1.500988     -1.498223     -1.169753
H        0.014561     -0.175810     -2.855323
H       -1.524101      1.078964     -1.183780
H        1.471185      1.164460     -0.510464
H       -1.880620     -0.200901      0.822080
H        0.712135     -2.334474     -1.865886
H       -0.741191     -2.350971      0.176441
H        1.761305     -0.162702     -2.594246
H       -0.811820      1.977814      0.150879
C        0.091622     -0.207553      1.644379
H       -0.057706     -1.160293      2.174794
H        1.141598     -0.205161      1.319191
C       -0.134216      0.949289      2.623128
H        0.473198      0.822023      3.527784
H       -1.187373      1.004308      2.931328
H        0.134861      1.916567      2.180716

24
ax-g wB97x-V/6-31G*
H        0.392796      2.159250     -1.812839
C        0.396141      1.257520     -1.184335
C       -1.049405     -0.000074      0.579004
C        0.395058     -1.258860     -1.184457
C       -0.838719     -1.276577     -0.268084
C        0.413560     -0.000637     -2.058937
C       -0.837607      1.276355     -0.267903
H        1.320437     -1.295944     -0.593357
H       -1.723854     -1.405569     -0.911154
H       -0.471023     -0.000249     -2.716427
H       -1.722653      1.406341     -0.910888
H        1.321566      1.293651     -0.593262
H       -2.113688      0.000277      0.863081
H        0.390883     -2.160532     -1.813039
H       -0.809211     -2.155354      0.393334
H        1.296203     -0.000967     -2.713273
H       -0.807154      2.155016      0.393638
C       -0.311550     -0.000395      1.936378
H       -0.663160      0.876796      2.501271
H       -0.660773     -0.879577      2.499652
C        1.221466      0.001907      1.951216
H        1.583003      0.000739      2.987682
H        1.637390      0.890904      1.462882
H        1.640297     -0.884020      1.459819

24
eq-a MP2/6-31G*
C        0.560400     -0.251700      0.225600
C       -1.358200      1.409500      0.185200
C       -1.850100     -1.053300      0.313600
C       -2.330800      0.299500     -0.209500
C       -0.429600     -1.353700     -0.164700
C        0.063100      1.102000     -0.290100
H       -1.356300      1.514200      1.279000
H       -1.866400     -1.041900      1.412100
H       -2.405500      0.257200     -1.304900
H       -0.430000     -1.453400     -1.260300
H        0.082900      1.085700     -1.390300
H        0.589900     -0.202000      1.326800
H       -1.691600      2.372400     -0.221000
H       -2.533400     -1.851200     -0.002200
H       -3.337000      0.520600      0.166900
H       -0.088400     -2.316800      0.237000
H        0.738600      1.905800      0.024500
C        1.970000     -0.590200     -0.266900
H        1.960400     -0.622200     -1.365100
H        2.219000     -1.606100      0.066900
C        3.057600      0.370300      0.210600
H        3.057500      0.443900      1.303100
H        2.918700      1.375900     -0.194100
H        4.047500      0.023700     -0.101000

24
eq-g MP2/6-31G*
C       -0.526300      0.000000     -0.626200
C        1.603900      1.260600     -0.109500
C        1.603900     -1.260600     -0.109500
C        2.209600      0.000000      0.507800
C        0.078800     -1.254200      0.011100
C        0.078800      1.254200      0.011100
H        1.882000      1.312500     -1.171200
H        1.882000     -1.312500     -1.171200
H        2.015100      0.000000      1.589300
H       -0.192600     -1.294000      1.074500
H       -0.192600      1.294000      1.074500
H       -0.221600     -0.000000     -1.685600
H        2.019600      2.156300      0.368200
H        2.019600     -2.156300      0.368200
H        3.299400      0.000000      0.384100
H       -0.344800     -2.152900     -0.457100
H       -0.344800      2.152900     -0.457100
C       -2.060700      0.000000     -0.613000
H       -2.411100     -0.877900     -1.171800
H       -2.411100      0.877900     -1.171800
C       -2.710800      0.000000      0.770400
H       -2.430900      0.884400      1.348800
H       -2.430900     -0.884400      1.348800
H       -3.801100      0.000000      0.677100

24
ax-a MP2/6-31G*
H       -1.290200      2.461000     -0.085800
C       -0.918900      1.444300     -0.264200
C        0.566200     -0.394300      0.687600
C       -1.600200     -0.973100     -0.530700
C       -0.623800     -1.359900      0.583000
C       -2.089900      0.465100     -0.356900
C        0.043200      1.039900      0.854700
H       -1.115900     -1.077800     -1.509600
H       -1.165700     -1.358000      1.539300
H       -2.682800      0.531600      0.566100
H       -0.491400      1.103000      1.813100
H       -0.389700      1.473800     -1.225300
H        1.130900     -0.654100      1.596100
H       -2.452100     -1.664200     -0.533600
H       -0.259800     -2.384700      0.432100
H       -2.758700      0.743500     -1.180500
H        0.874500      1.750900      0.921800
C        1.533500     -0.559800     -0.492300
H        1.802200     -1.622300     -0.560200
H        1.034700     -0.314400     -1.436300
C        2.811600      0.267500     -0.368700
H        3.513100      0.023400     -1.172200
H        3.312500      0.069900      0.584800
H        2.608800      1.340200     -0.424800

24
ax-g MP2/6-31G*
H       -1.764000     -2.153800      0.451900
C       -1.136200     -1.253900      0.450300
C        0.607900      0.000000     -1.003100
C       -1.136200      1.253900      0.450300
C       -0.237500      1.269800     -0.789700
C       -2.006800     -0.000000      0.479800
C       -0.237500     -1.269800     -0.789700
H       -0.536800      1.293100      1.366000
H       -0.890800      1.390800     -1.665400
H       -2.674300      0.000000     -0.393600
H       -0.890800     -1.390700     -1.665400
H       -0.536800     -1.293100      1.366000
H        0.887300      0.000000     -2.067300
H       -1.764000      2.153800      0.452000
H        0.419400      2.149800     -0.775200
H       -2.649500     -0.000000      1.368600
H        0.419400     -2.149800     -0.775200
C        1.964500      0.000000     -0.275200
H        2.523800     -0.876000     -0.630700
H        2.523800      0.876000     -0.630700
C        1.994600     -0.000000      1.252900
H        3.033100     -0.000000      1.599700
H        1.511500     -0.885000      1.672500
H        1.511500      0.884900      1.672600

24
eq-a HF/6-311+G**
C       -0.563600     -0.242700     -0.219600
C        1.374800      1.409400     -0.181900
C        1.848900     -1.064100     -0.310800
C        2.343700      0.289700      0.200400
C        0.423000     -1.355300      0.162600
C       -0.051400      1.112400      0.290400
H        1.375600      1.529700     -1.265200
H        1.873400     -1.067000     -1.400400
H        2.439300      0.251400      1.285600
H        0.422400     -1.472500      1.247200
H       -0.075700      1.111000      1.381300
H       -0.599000     -0.194800     -1.310600
H        1.711700      2.355900      0.234100
H        2.517500     -1.856900      0.015900
H        3.335800      0.500600     -0.191600
H        0.083700     -2.303000     -0.249800
H       -0.710200      1.912800     -0.032700
C       -1.976600     -0.575100      0.278200
H       -1.977400     -0.586000      1.367900
H       -2.219200     -1.589300     -0.033900
C       -3.078300      0.361700     -0.219700
H       -3.089800      0.409800     -1.306100
H       -2.957000      1.372500      0.156000
H       -4.053800      0.010000      0.104300

24
eq-g HF/6-311+G**
C        0.656300      0.478700      0.000000
C       -0.018300     -1.615800      1.264000
C       -0.018300     -1.615800     -1.264000
C       -0.670000     -2.181000      0.000000
C       -0.018300     -0.084300     -1.259000
C       -0.018300     -0.084300      1.259000
H        1.008400     -1.975200      1.330500
H        1.008400     -1.975200     -1.330500
H       -1.730500     -1.928700      0.000000
H       -1.047300      0.267200     -1.315300
H       -1.047300      0.267200      1.315300
H        1.683000      0.107400      0.000000
H       -0.533400     -1.984900      2.147600
H       -0.533400     -1.984900     -2.147600
H       -0.609600     -3.266700      0.000000
H        0.487200      0.289400     -2.147300
H        0.487200      0.289400      2.147300
C        0.765600      2.012600      0.000000
H        1.348700      2.312000     -0.869500
H        1.348700      2.312000      0.869500
C       -0.549200      2.797000      0.000000
H       -1.151000      2.582100      0.877600
H       -1.151000      2.582100     -0.877600
H       -0.346100      3.864300      0.000000

24
ax-a HF/6-311+G**
H       -1.385300      2.430800     -0.090600
C       -0.989300      1.435600     -0.278100
C        0.578300     -0.357400      0.672400
C       -1.606300     -1.007500     -0.505300
C       -0.591200     -1.355100      0.589100
C       -2.133200      0.420600     -0.344200
C        0.020000      1.070800      0.815900
H       -1.148200     -1.115900     -1.486600
H       -1.107400     -1.363400      1.548700
H       -2.718600      0.483600      0.573200
H       -0.477700      1.144100      1.782400
H       -0.491400      1.483400     -1.245000
H        1.132300     -0.583800      1.583100
H       -2.431800     -1.714500     -0.474700
H       -0.209100     -2.362100      0.437800
H       -2.808200      0.666800     -1.160300
H        0.826000      1.798000      0.837800
C        1.567300     -0.531400     -0.494400
H        1.815400     -1.588800     -0.566600
H        1.098700     -0.270300     -1.439400
C        2.868100      0.260200     -0.348400
H        3.557700      0.012900     -1.150700
H        3.362300      0.032000      0.593000
H        2.701900      1.332200     -0.383800

24
ax-g HF/6-311+G**
H       -1.783900     -2.145800      0.435700
C       -1.155600     -1.258100      0.448600
C        0.604700      0.000000     -0.996500
C       -1.155600      1.258100      0.448600
C       -0.242500      1.273200     -0.783300
C       -2.023000      0.000000      0.485700
C       -0.242500     -1.273200     -0.783300
H       -0.569800      1.311800      1.361900
H       -0.877900      1.399100     -1.659500
H       -2.698300      0.000000     -0.370300
H       -0.877900     -1.399100     -1.659500
H       -0.569800     -1.311800      1.361900
H        0.873700      0.000000     -2.051500
H       -1.783900      2.145800      0.435700
H        0.407600      2.145100     -0.755500
H       -2.648200      0.000000      1.375300
H        0.407600     -2.145100     -0.755500
C        1.975100      0.000000     -0.285700
H        2.524400     -0.867900     -0.647600
H        2.524400      0.867900     -0.647600
C        2.044500      0.000000      1.243500
H        3.084900      0.000000      1.558100
H        1.578000     -0.878000      1.676500
H        1.578000      0.878000      1.676500

24
eq-a B3LYP/6-311+G**
C       -0.565800     -0.247200     -0.217800
C        1.374700      1.416000     -0.181200
C        1.856900     -1.065500     -0.312500
C        2.350500      0.294500      0.198100
C        0.427000     -1.361300      0.162600
C       -0.054400      1.112100      0.294100
H        1.372400      1.537700     -1.272500
H        1.880100     -1.068500     -1.410300
H        2.449200      0.255900      1.291000
H        0.426000     -1.477600      1.255600
H       -0.076900      1.104400      1.393200
H       -0.602000     -0.197100     -1.317200
H        1.712900      2.370700      0.235400
H        2.533500     -1.862600      0.013500
H        3.349100      0.509200     -0.197100
H        0.084200     -2.317200     -0.249500
H       -0.724700      1.916200     -0.024000
C       -1.983800     -0.577500      0.280600
H       -1.981700     -0.582800      1.378500
H       -2.227700     -1.602100     -0.025300
C       -3.084100      0.363000     -0.224200
H       -3.106500      0.391500     -1.318600
H       -2.945200      1.387200      0.131400
H       -4.068500      0.030800      0.117400

24
eq-g B3LYP/6-311+G**
C        0.660500      0.484500      0.000000
C       -0.012500     -1.619300      1.268700
C       -0.012500     -1.619300     -1.268700
C       -0.664200     -2.187300      0.000000
C       -0.012500     -0.083100     -1.263600
C       -0.012500     -0.083100      1.263600
H        1.022500     -1.979600      1.335300
H        1.022500     -1.979600     -1.335300
H       -1.732600     -1.934300      0.000000
H       -1.048900      0.272400     -1.320800
H       -1.048900      0.272400      1.320800
H        1.696800      0.114300      0.000000
H       -0.528700     -1.993400      2.159200
H       -0.528700     -1.993400     -2.159200
H       -0.604200     -3.280800      0.000000
H        0.496400      0.296500     -2.157400
H        0.496400      0.296500      2.157400
C        0.757900      2.023700      0.000000
H        1.343400      2.330000     -0.875600
H        1.343400      2.330000      0.875600
C       -0.570300      2.791900      0.000000
H       -1.173900      2.565400      0.883000
H       -1.173900      2.565400     -0.883000
H       -0.386700      3.870100      0.000000

24
ax-a B3LYP/6-311+G**
H       -1.401500      2.440100     -0.098700
C       -1.000800      1.437600     -0.282100
C        0.581900     -0.351600      0.671200
C       -1.608600     -1.016700     -0.501200
C       -0.587000     -1.358000      0.595900
C       -2.143500      0.413600     -0.340600
C        0.020000      1.081200      0.811200
H       -1.145000     -1.122600     -1.489500
H       -1.104600     -1.366200      1.563900
H       -2.728100      0.475700      0.587000
H       -0.473400      1.161700      1.788300
H       -0.503300      1.482800     -1.258600
H        1.147400     -0.575000      1.585900
H       -2.435400     -1.734200     -0.473500
H       -0.195800     -2.370700      0.446600
H       -2.830600      0.657300     -1.157800
H        0.833000      1.813700      0.822800
C        1.567200     -0.520600     -0.504600
H        1.796100     -1.588500     -0.603600
H        1.092300     -0.229300     -1.447300
C        2.882100      0.250300     -0.343000
H        3.565100      0.037000     -1.170200
H        3.390300     -0.028300      0.586100
H        2.724700      1.332000     -0.322000

24
ax-g B3LYP/6-311+G**
H       -1.181400      1.405600      2.157000
C       -0.664400      1.037600      1.264100
C       -0.099900     -1.171700      0.000000
C       -0.664400      1.037600     -1.264100
C       -0.664400     -0.500600     -1.276500
C       -1.335700      1.589000      0.000000
C       -0.664400     -0.500600      1.276500
H        0.358900      1.422200     -1.322800
H       -1.704200     -0.831000     -1.398300
H       -2.396900      1.305700      0.000000
H       -1.704200     -0.831000      1.398300
H        0.358900      1.422200      1.322800
H       -0.500200     -2.193700      0.000000
H       -1.181400      1.405600     -2.157000
H       -0.125500     -0.872000     -2.155700
H       -1.305700      2.683700      0.000000
H       -0.125500     -0.872000      2.155700
C        1.433400     -1.388100      0.000000
H        1.673500     -2.006700      0.873900
H        1.673500     -2.006700     -0.873900
C        2.372400     -0.174400      0.000000
H        3.413600     -0.511200      0.000000
H        2.235700      0.453400      0.883200
H        2.235700      0.453400     -0.883200

24
eq-a B3LYP-D3/6-311+G**
C        0.564800     -0.250400      0.221300
C       -1.369000      1.416000      0.183200
C       -1.856900     -1.061600      0.314100
C       -2.345200      0.297500     -0.204100
C       -0.429400     -1.360800     -0.163700
C        0.058600      1.109800     -0.292700
H       -1.366400      1.527800      1.275500
H       -1.874900     -1.055400      1.412000
H       -2.429500      0.256200     -1.298100
H       -0.429900     -1.468300     -1.257400
H        0.080100      1.097900     -1.391700
H        0.597100     -0.199800      1.320800
H       -1.704500      2.374000     -0.227400
H       -2.536700     -1.858600     -0.004900
H       -3.347200      0.515300      0.180000
H       -0.088100     -2.319500      0.242700
H        0.731300      1.912100      0.024100
C        1.980900     -0.584800     -0.275100
H        1.975500     -0.602200     -1.372800
H        2.227300     -1.605000      0.043000
C        3.076100      0.366800      0.218400
H        3.084100      0.420600      1.312100
H        2.938100      1.381800     -0.162600
H        4.064500      0.028200     -0.104600

24
eq-g B3LYP-D3/6-311+G**
C       -0.530800      0.000000     -0.629000
C        1.613000      1.267100     -0.106700
C        1.613000     -1.267100     -0.106800
C        2.222400     -0.000000      0.509700
C        0.081400     -1.261700      0.005600
C        0.081400      1.261700      0.005800
H        1.896300      1.323900     -1.165900
H        1.896300     -1.323800     -1.166100
H        2.031900     -0.000100      1.591200
H       -0.195300     -1.308800      1.066200
H       -0.195300      1.308700      1.066300
H       -0.232800      0.000100     -1.688200
H        2.024700      2.160000      0.375400
H        2.024700     -2.160000      0.375200
H        3.310000     -0.000000      0.383100
H       -0.337700     -2.156900     -0.467900
H       -0.337700      2.157000     -0.467700
C       -2.071700      0.000000     -0.612100
H       -2.422200     -0.876400     -1.170800
H       -2.422200      0.876500     -1.170700
C       -2.728800     -0.000000      0.774500
H       -2.450500      0.882900      1.355800
H       -2.450500     -0.883100      1.355700
H       -3.818500     -0.000000      0.681900

24
ax-a B3LYP-D3/6-311+G**
H       -1.322500      2.460200     -0.088900
C       -0.945200      1.448000     -0.267800
C        0.572800     -0.385900      0.685800
C       -1.610900     -0.987100     -0.523900
C       -0.616700     -1.365400      0.585900
C       -2.113100      0.454400     -0.355100
C        0.036900      1.053600      0.846000
H       -1.132100     -1.092100     -1.504400
H       -1.149400     -1.367600      1.545600
H       -2.705900      0.520500      0.567000
H       -0.483800      1.120500      1.809800
H       -0.422900      1.480900     -1.231600
H        1.133200     -0.634900      1.596900
H       -2.455200     -1.684400     -0.518700
H       -0.247700     -2.385600      0.432400
H       -2.783300      0.723300     -1.178300
H        0.862700      1.769100      0.896700
C        1.552600     -0.553600     -0.493600
H        1.813500     -1.616300     -0.566700
H        1.059400     -0.302300     -1.437900
C        2.840800      0.266200     -0.365000
H        3.537800      0.030800     -1.174100
H        3.347400      0.056400      0.582900
H        2.645900      1.341100     -0.405200

24
ax-g B3LYP-D3/6-311+G**
H        1.770800      2.157700      0.446500
C        1.140800      1.261700      0.446800
C       -0.613700      0.000000     -1.008200
C        1.140800     -1.261700      0.446800
C        0.236300     -1.276400     -0.796800
C        2.011500      0.000000      0.487300
C        0.236300      1.276400     -0.796800
H        0.539600     -1.307900      1.359900
H        0.884400     -1.397700     -1.674300
H        2.689800      0.000000     -0.376700
H        0.884400      1.397700     -1.674300
H        0.539600      1.307900      1.359900
H       -0.894900      0.000000     -2.069100
H        1.770800     -2.157700      0.446500
H       -0.419400     -2.154300     -0.778400
H        2.642400      0.000000      1.382100
H       -0.419400      2.154300     -0.778400
C       -1.973600      0.000000     -0.271200
H       -2.535000      0.874800     -0.622500
H       -2.535000     -0.874800     -0.622500
C       -1.992700      0.000000      1.262300
H       -3.025700     -0.000000      1.623200
H       -1.503100      0.882900      1.678300
H       -1.503100     -0.882900      1.678300

24
eq-a wB97x-D/6-311+G**
C        0.561400     -0.254100      0.228500
C       -1.359100      1.412600      0.182700
C       -1.854200     -1.054400      0.308500
C       -2.332800      0.301600     -0.211200
C       -0.430500     -1.356900     -0.160800
C        0.065400      1.104100     -0.283200
H       -1.362700      1.522500      1.275000
H       -1.877900     -1.047900      1.406000
H       -2.409500      0.261000     -1.305600
H       -0.425900     -1.463100     -1.254800
H        0.095100      1.095900     -1.382400
H        0.591600     -0.205400      1.328200
H       -1.688900      2.371500     -0.229100
H       -2.534400     -1.848400     -0.015100
H       -3.335800      0.522500      0.166800
H       -0.094000     -2.316400      0.246900
H        0.738100      1.902900      0.042500
C        1.971400     -0.592200     -0.265100
H        1.962200     -0.629300     -1.362300
H        2.221400     -1.605300      0.071200
C        3.059700      0.370500      0.205000
H        3.059500      0.457800      1.296300
H        2.924000      1.372800     -0.209100
H        4.049400      0.021700     -0.100900

24
eq-g wB97x-D/6-311+G**
C        0.528500      0.000000     -0.627800
C       -1.605700     -1.262800     -0.106800
C       -1.605700      1.262800     -0.106800
C       -2.213000      0.000000      0.507300
C       -0.079700      1.256600      0.006700
C       -0.079700     -1.256600      0.006700
H       -1.887900     -1.319700     -1.166200
H       -1.887900      1.319700     -1.166200
H       -2.023000     -0.000000      1.588600
H        0.195600      1.300700      1.068200
H        0.195600     -1.300700      1.068200
H        0.229000      0.000000     -1.686400
H       -2.017200     -2.154700      0.375800
H       -2.017200      2.154700      0.375800
H       -3.299900      0.000000      0.379200
H        0.340300      2.152200     -0.464900
H        0.340300     -2.152200     -0.464900
C        2.063600      0.000000     -0.611300
H        2.414700      0.876400     -1.169000
H        2.414700     -0.876400     -1.169000
C        2.713900     -0.000000      0.772500
H        2.433600     -0.883400      1.352300
H        2.433600      0.883400      1.352300
H        3.803300      0.000000      0.683100

24
ax-a wB97x-D/6-311+G**
H       -1.274000      2.465400     -0.074900
C       -0.909400      1.449600     -0.256300
C        0.564700     -0.405100      0.690800
C       -1.608600     -0.965800     -0.533900
C       -0.630900     -1.365600      0.575900
C       -2.087200      0.477700     -0.361700
C        0.048400      1.033300      0.862700
H       -1.126500     -1.074000     -1.512600
H       -1.169800     -1.370500      1.531900
H       -2.688200      0.547900      0.554700
H       -0.484600      1.095100      1.820100
H       -0.374400      1.480100     -1.213400
H        1.119700     -0.669400      1.600500
H       -2.464000     -1.648400     -0.536400
H       -0.273000     -2.388100      0.413600
H       -2.743600      0.761500     -1.190100
H        0.883000      1.736900      0.933100
C        1.539900     -0.572700     -0.485100
H        1.821800     -1.630800     -0.538600
H        1.038600     -0.349000     -1.432600
C        2.804700      0.275700     -0.376900
H        3.515100      0.021900     -1.168000
H        3.304000      0.116200      0.584300
H        2.586500      1.343300     -0.464700

24
ax-g wB97x-D/6-311+G**
H        1.767300      2.152300      0.444500
C        1.138900      1.255900      0.445800
C       -0.611900      0.000400     -1.003300
C        1.138700     -1.256200      0.445200
C        0.232500     -1.272500     -0.790600
C        2.008000     -0.000200      0.478300
C        0.232700      1.273000     -0.789900
H        0.542200     -1.298400      1.361900
H        0.877100     -1.400400     -1.669700
H        2.679000     -0.000100     -0.391300
H        0.877400      1.401200     -1.669000
H        0.542400      1.297700      1.362600
H       -0.890800      0.000700     -2.064300
H        1.766900     -2.152800      0.443300
H       -0.426400     -2.147700     -0.765100
H        2.644800     -0.000500      1.368200
H       -0.426000      2.148200     -0.764000
C       -1.967600      0.000300     -0.271400
H       -2.528800      0.875200     -0.622100
H       -2.529100     -0.874100     -0.622900
C       -1.985500     -0.000400      1.256900
H       -3.018100     -0.000300      1.617300
H       -1.496000      0.882900      1.672800
H       -1.496500     -0.884400      1.671900

24
eq-a M06-2X/6-311+G**
C        0.559200     -0.261800      0.239800
C       -1.349300      1.414300      0.185200
C       -1.859400     -1.047300      0.306100
C       -2.325000      0.309900     -0.223800
C       -0.435900     -1.357400     -0.160300
C        0.076600      1.099300     -0.274900
H       -1.358300      1.513000      1.277700
H       -1.884000     -1.032500      1.402600
H       -2.382400      0.267600     -1.318500
H       -0.428200     -1.452500     -1.254700
H        0.111300      1.089000     -1.373400
H        0.584700     -0.214800      1.339100
H       -1.671100      2.377200     -0.221000
H       -2.543100     -1.837900     -0.015200
H       -3.331300      0.536800      0.138700
H       -0.104500     -2.320300      0.241400
H        0.752300      1.892400      0.056000
C        1.967500     -0.607500     -0.252100
H        1.951300     -0.671400     -1.347100
H        2.224000     -1.609000      0.110000
C        3.048300      0.378600      0.188500
H        3.029400      0.516500      1.273500
H        2.916200      1.358000     -0.275100
H        4.042100      0.018300     -0.084700

24
eq-g M06-2X/6-311+G**
C        0.670200      0.475500      0.000000
C       -0.017800     -1.606400      1.262300
C       -0.017800     -1.606400     -1.262300
C       -0.682100     -2.161500      0.000000
C       -0.017800     -0.075400     -1.254600
C       -0.017800     -0.075400      1.254600
H        1.017300     -1.966000      1.311900
H        1.017300     -1.966000     -1.311900
H       -1.742100     -1.878800      0.000000
H       -1.056000      0.277000     -1.285300
H       -1.056000      0.277000      1.285300
H        1.698300      0.085600      0.000000
H       -0.526400     -1.981300      2.154700
H       -0.526400     -1.981300     -2.154700
H       -0.645700     -3.254300      0.000000
H        0.476700      0.312100     -2.151600
H        0.476700      0.312100      2.151600
C        0.778200      2.006200      0.000000
H        1.359400      2.312200     -0.876800
H        1.359400      2.312200      0.876800
C       -0.555300      2.755400      0.000000
H       -1.151700      2.517000      0.883300
H       -1.151700      2.517000     -0.883300
H       -0.387600      3.834300      0.000000

24
ax-a M06-2X/6-311+G**
H       -1.208400      2.478700     -0.067200
C       -0.865400      1.456000     -0.246200
C        0.557500     -0.432300      0.698300
C       -1.611600     -0.940800     -0.550800
C       -0.652700     -1.371300      0.565100
C       -2.063800      0.509900     -0.363800
C        0.064600      1.011500      0.886000
H       -1.122700     -1.045200     -1.525400
H       -1.201300     -1.374200      1.514700
H       -2.661100      0.581800      0.553800
H       -0.488000      1.066200      1.831800
H       -0.317600      1.472900     -1.195800
H        1.109100     -0.717000      1.603000
H       -2.479300     -1.606100     -0.568600
H       -0.310200     -2.397000      0.394800
H       -2.713100      0.814900     -1.189100
H        0.910100      1.697300      0.983400
C        1.527400     -0.597400     -0.481600
H        1.833400     -1.648600     -0.518400
H        1.016400     -0.399500     -1.428500
C        2.770000      0.286800     -0.389200
H        3.499100      0.020000     -1.156700
H        3.254500      0.179200      0.585700
H        2.524000      1.342300     -0.524100

24
ax-g M06-2X/6-311+G**
H        1.909300      1.917100      0.884100
C        1.221900      1.086700      0.699100
C       -0.608000      0.294800     -0.964300
C        1.039800     -1.357700      0.165400
C        0.137800     -1.052300     -1.037700
C        2.001700     -0.202600      0.443200
C        0.329900      1.426900     -0.499200
H        0.442400     -1.538100      1.063200
H        0.774600     -1.040200     -1.930500
H        2.660100     -0.060000     -0.423100
H        0.992600      1.677600     -1.336800
H        0.624100      0.970400      1.607900
H       -0.886900      0.548200     -1.993700
H        1.597600     -2.278100     -0.029400
H       -0.584900     -1.862100     -1.185700
H        2.643900     -0.438600      1.296000
H       -0.260100      2.325800     -0.293300
C       -1.955100      0.227900     -0.219500
H       -2.374600      1.239900     -0.197500
H       -2.638600     -0.367000     -0.836000
C       -1.982500     -0.353300      1.195300
H       -2.994900     -0.291900      1.601400
H       -1.321900      0.180900      1.879600
H       -1.695700     -1.406700      1.199400

24
eq-a wB97x-V/6-311+G**
C       -0.353731      0.168459     -0.464421
C        0.214363     -1.065136      1.688262
C        0.182691      1.457037      1.667404
C        0.833787      0.208728      2.271516
C        0.266725      1.437940      0.137544
C        0.295242     -1.077590      0.157151
H       -0.841262     -1.124832      1.993118
H       -0.874212      1.495884      1.970988
H        1.911696      0.220612      2.050521
H        1.323783      1.492659     -0.168203
H        1.352491     -1.114076     -0.152122
H       -1.424900      0.158576     -0.197553
H        0.710445     -1.953498      2.098530
H        0.657001      2.364515      2.061195
H        0.734872      0.216127      3.364070
H       -0.226881      2.325120     -0.281067
H       -0.177712     -1.988486     -0.228921
C       -0.248376      0.186683     -1.995142
H        0.815006      0.173568     -2.277444
H       -0.649324      1.142998     -2.358839
C       -0.980931     -0.960202     -2.695915
H       -2.035326     -0.993228     -2.394597
H       -0.536195     -1.933196     -2.462030
H       -0.949252     -0.838663     -3.784043

24
eq-g wB97x-V/6-311+G**
C       -0.663327     -0.000003     -0.469843
C       -0.141467     -1.264371      1.665349
C       -0.141443      1.264369      1.665342
C        0.476909     -0.000006      2.272560
C       -0.023606      1.258002      0.136565
C       -0.023629     -1.258016      0.136572
H       -1.204045     -1.317846      1.945905
H       -1.204019      1.317867      1.945901
H        1.560052     -0.000017      2.078266
H        1.040979      1.297783     -0.137467
H        1.040955     -1.297825     -0.137462
H       -1.723479      0.000007     -0.165596
H        0.339239     -2.159414      2.079387
H        0.339283      2.159403      2.079375
H        0.351876     -0.000000      3.362462
H       -0.493310      2.156718     -0.286095
H       -0.493354     -2.156725     -0.286080
C       -0.649178     -0.000011     -2.007643
H       -1.207996      0.878597     -2.359293
H       -1.207939     -0.878661     -2.359277
C        0.738679      0.000030     -2.657327
H        1.319366     -0.885341     -2.376185
H        1.319270      0.885491     -2.376273
H        0.650183     -0.000030     -3.749144

24
ax-a wB97x-V/6-311+G**
H        0.678800      1.985386     -1.848764
C        0.629553      1.090309     -1.216338
C       -0.851087     -0.191185      0.425377
C        0.653456     -1.441751     -1.225119
C       -0.669717     -1.447396     -0.447019
C        0.792561     -0.171434     -2.072456
C       -0.700149      1.065895     -0.451904
H        1.499509     -1.508931     -0.527091
H       -1.499771     -1.498959     -1.167095
H        0.017161     -0.174676     -2.853542
H       -1.523495      1.078169     -1.181392
H        1.468369      1.164327     -0.509407
H       -1.878595     -0.201762      0.820124
H        0.710810     -2.331008     -1.865092
H       -0.739093     -2.348147      0.177295
H        1.760412     -0.161569     -2.588939
H       -0.812416      1.974346      0.151712
C        0.091012     -0.207584      1.642471
H       -0.059740     -1.158569      2.172234
H        1.139274     -0.207555      1.317557
C       -0.132846      0.949253      2.619423
H        0.472042      0.821537      3.523681
H       -1.184696      1.006867      2.926192
H        0.138646      1.914436      2.178095

24
ax-g wB97x-V/6-311+G**
H        0.678800      1.985386     -1.848764
C        0.629553      1.090309     -1.216338
C       -0.851087     -0.191185      0.425377
C        0.653456     -1.441751     -1.225119
C       -0.669717     -1.447396     -0.447019
C        0.792561     -0.171434     -2.072456
C       -0.700149      1.065895     -0.451904
H        1.499509     -1.508931     -0.527091
H       -1.499771     -1.498959     -1.167095
H        0.017161     -0.174676     -2.853542
H       -1.523495      1.078169     -1.181392
H        1.468369      1.164327     -0.509407
H       -1.878595     -0.201762      0.820124
H        0.710810     -2.331008     -1.865092
H       -0.739093     -2.348147      0.177295
H        1.760412     -0.161569     -2.588939
H       -0.812416      1.974346      0.151712
C        0.091012     -0.207584      1.642471
H       -0.059740     -1.158569      2.172234
H        1.139274     -0.207555      1.317557
C       -0.132846      0.949253      2.619423
H        0.472042      0.821537      3.523681
H       -1.184696      1.006867      2.926192
H        0.138646      1.914436      2.178095

24
eq-a MP2/6-311+G**
C        0.560400     -0.257100      0.231300
C       -1.354200      1.413000      0.186800
C       -1.855700     -1.050600      0.313600
C       -2.329600      0.304800     -0.217100
C       -0.433200     -1.356300     -0.164100
C        0.069800      1.100600     -0.285900
H       -1.354500      1.510400      1.281700
H       -1.870500     -1.032600      1.412500
H       -2.391300      0.260700     -1.313600
H       -0.432500     -1.450400     -1.260800
H        0.092300      1.082600     -1.386800
H        0.589300     -0.209400      1.333200
H       -1.682000      2.377500     -0.219200
H       -2.540500     -1.846600     -0.002400
H       -3.337400      0.529600      0.152100
H       -0.094400     -2.319900      0.238200
H        0.747200      1.900200      0.034600
C        1.970000     -0.598800     -0.263100
H        1.956200     -0.641000     -1.361400
H        2.220500     -1.610000      0.084000
C        3.054500      0.375000      0.203500
H        3.038800      0.474400      1.294400
H        2.918100      1.370000     -0.228700
H        4.048400      0.021100     -0.087700

24
eq-g MP2/6-311+G**
C        0.526600      0.000000     -0.626600
C       -1.603800     -1.262700     -0.112500
C       -1.603800      1.262700     -0.112500
C       -2.210100      0.000000      0.507500
C       -0.076600      1.255300      0.015300
C       -0.076600     -1.255300      0.015300
H       -1.875800     -1.309200     -1.176400
H       -1.875800      1.309200     -1.176400
H       -2.010100      0.000000      1.588400
H        0.188800      1.287000      1.081100
H        0.188800     -1.287000      1.081100
H        0.216400      0.000000     -1.684500
H       -2.020800     -2.158100      0.363900
H       -2.020800      2.158100      0.363900
H       -3.299600      0.000000      0.383800
H        0.351500      2.153300     -0.449900
H        0.351500     -2.153300     -0.449900
C        2.062300      0.000000     -0.617700
H        2.411500      0.879700     -1.174800
H        2.411500     -0.879700     -1.174800
C        2.706000      0.000000      0.771900
H        2.420300     -0.885400      1.347000
H        2.420300      0.885400      1.347000
H        3.797200      0.000000      0.686200

24
ax-a MP2/6-311+G**
H       -1.242600      2.473800     -0.078300
C       -0.887000      1.451800     -0.256500
C        0.561500     -0.415500      0.693200
C       -1.606700     -0.956100     -0.542700
C       -0.640700     -1.367000      0.575600
C       -2.076200      0.490900     -0.360000
C        0.055900      1.025200      0.873700
H       -1.117100     -1.059400     -1.519400
H       -1.188100     -1.364000      1.529000
H       -2.668600      0.560300      0.563600
H       -0.493600      1.081100      1.824300
H       -0.346700      1.470200     -1.212200
H        1.123500     -0.690900      1.598500
H       -2.469100     -1.633400     -0.553200
H       -0.286100     -2.393500      0.414900
H       -2.735500      0.784500     -1.185600
H        0.896400      1.722900      0.960300
C        1.526700     -0.579200     -0.491000
H        1.811500     -1.638500     -0.544600
H        1.019500     -0.352000     -1.435700
C        2.790400      0.276300     -0.378100
H        3.508100      0.018500     -1.163200
H        3.278600      0.119200      0.590300
H        2.566300      1.342600     -0.473400

24
ax-g MP2/6-311+G**
H       -1.761500     -2.155900      0.456500
C       -1.138100     -1.253400      0.452300
C        0.609800      0.000000     -1.003400
C       -1.138100      1.253400      0.452300
C       -0.231700      1.274100     -0.785500
C       -2.014800     -0.000000      0.465100
C       -0.231700     -1.274100     -0.785500
H       -0.542800      1.277500      1.371700
H       -0.881100      1.406000     -1.663000
H       -2.663300     -0.000000     -0.423100
H       -0.881100     -1.406000     -1.663000
H       -0.542800     -1.277500      1.371700
H        0.885600      0.000000     -2.067900
H       -1.761500      2.155900      0.456500
H        0.433700      2.147300     -0.758000
H       -2.671200     -0.000000      1.343300
H        0.433700     -2.147300     -0.758000
C        1.968700      0.000000     -0.276300
H        2.526500     -0.878100     -0.629600
H        2.526500      0.878200     -0.629600
C        1.988200     -0.000000      1.255100
H        3.024300     -0.000000      1.609900
H        1.500500     -0.886000      1.669100
H        1.500500      0.885900      1.669100
