18
eq HF/6-31G*
C       -0.308600      0.527600      0.000000
C        0.358100      2.589500      1.262600
C        0.358100      2.589500     -1.262600
C        1.018000      3.149300      0.000000
C        0.358100      1.053700     -1.268200
C        0.358100      1.053700      1.268200
H       -0.666600      2.951100      1.326500
H       -0.666600      2.951100     -1.326500
H        2.074700      2.888300      0.000000
H        1.379900      0.689100     -1.315700
H        1.379900      0.689100      1.315700
H       -1.361100      0.770800      0.000000
H        0.870200      2.950500      2.149700
H        0.870200      2.950500     -2.149700
H        0.964600      4.234100      0.000000
H       -0.155800      0.680300     -2.146200
H       -0.155800      0.680300      2.146200
I       -0.328000     -1.664400      0.000000

18
ax HF/6-31G*
C        0.863500     -0.742600      0.000000
C        1.461900      1.394900      1.266000
C        1.461900      1.394900     -1.266000
C        2.118200      1.953700      0.000000
C        1.461900     -0.135500     -1.268100
C        1.461900     -0.135500      1.268100
H        0.441700      1.759600      1.340200
H        0.441700      1.759600     -1.340200
H        3.176800      1.697500      0.000000
H        2.493400     -0.487600     -1.311500
H        2.493400     -0.487600      1.311500
H        1.985900      1.751500      2.147900
H        1.985900      1.751500     -2.147900
H        2.061200      3.038200      0.000000
H        0.962800     -0.522900     -2.148000
H        0.962800     -0.522900      2.148000
H        0.984000     -1.813800      0.000000
I       -1.339000     -0.571700      0.000000

18
eq B3LYP/6-31G*
C       -0.308000      0.538800      0.000000
C        0.357800      2.607400      1.266600
C        0.357800      2.607400     -1.266600
C        1.020000      3.169300      0.000000
C        0.357800      1.064100     -1.271400
C        0.357800      1.064100      1.271400
H       -0.678100      2.971300      1.329400
H       -0.678100      2.971300     -1.329400
H        2.087000      2.903100      0.000000
H        1.391400      0.697400     -1.318000
H        1.391400      0.697400      1.318000
H       -1.374900      0.776700      0.000000
H        0.871200      2.971300      2.165300
H        0.871200      2.971300     -2.165300
H        0.970200      4.265400      0.000000
H       -0.158000      0.684300     -2.159500
H       -0.158000      0.684300      2.159500
I       -0.328200     -1.677400      0.000000

18
ax B3LYP/6-31G*
C        0.875600     -0.762300      0.000000
C        1.473900      1.379200      1.271100
C        1.473900      1.379200     -1.271100
C        2.129800      1.942700      0.000000
C        1.473900     -0.156500     -1.271700
C        1.473900     -0.156500      1.271700
H        0.439900      1.740300      1.343100
H        0.439900      1.740300     -1.343100
H        3.200100      1.686600      0.000000
H        2.516800     -0.513000     -1.314000
H        2.516800     -0.513000      1.314000
H        1.997500      1.742900      2.163800
H        1.997500      1.742900     -2.163800
H        2.071900      3.038200      0.000000
H        0.972600     -0.551600     -2.161000
H        0.972600     -0.551600      2.161000
H        0.973700     -1.848400      0.000000
I       -1.349200     -0.556000      0.000000

18
eq B3LYP-D3/6-31G*
C       -0.464700     -0.000000      0.413300
C       -2.623800      1.265100      0.190400
C       -2.623800     -1.265100      0.190400
C       -3.308300      0.000000     -0.347200
C       -1.115500     -1.270400     -0.133200
C       -1.115500      1.270400     -0.133200
H       -2.761300      1.318800      1.280200
H       -2.761300     -1.318800      1.280200
H       -3.256500      0.000000     -1.445700
H       -0.973600     -1.309000     -1.221000
H       -0.973600      1.309000     -1.221000
H       -0.486100     -0.000000      1.506700
H       -3.087900      2.165900     -0.229900
H       -3.087900     -2.165900     -0.229900
H       -4.372400      0.000000     -0.080700
H       -0.634600     -2.159400      0.287400
H       -0.634600      2.159400      0.287400
I        1.708300      0.000000     -0.024500

18
ax B3LYP-D3/6-31G*
C        0.405600      0.000000      1.096600
C        1.940000      1.270200     -0.508200
C        1.940000     -1.270200     -0.508200
C        2.785700     -0.000000     -0.693400
C        1.222100     -1.270700      0.849100
C        1.222100      1.270700      0.849100
H        1.193100      1.334600     -1.309900
H        1.193100     -1.334500     -1.309900
H        3.603900     -0.000000      0.042600
H        1.977400     -1.304500      1.651900
H        1.977400      1.304600      1.651900
H        2.569800      2.164500     -0.588300
H        2.569800     -2.164500     -0.588300
H        3.255300     -0.000000     -1.684600
H        0.596400     -2.161000      0.966500
H        0.596400      2.161100      0.966500
H       -0.027000      0.000000      2.098200
I       -1.445300      0.000000     -0.158600

18
eq wB97x-D/6-31G*
C       -0.302000      0.525500      0.000000
C        0.369400      2.584600      1.261500
C        0.369400      2.584600     -1.261500
C        1.035500      3.140100      0.000000
C        0.369400      1.048200     -1.266900
C        0.369400      1.048200      1.266900
H       -0.666500      2.947700      1.316500
H       -0.666500      2.947700     -1.316500
H        2.098700      2.861700      0.000000
H        1.403000      0.681000     -1.305700
H        1.403000      0.681000      1.305700
H       -1.363400      0.788300      0.000000
H        0.879700      2.950000      2.159700
H        0.879700      2.950000     -2.159700
H        0.994100      4.235200      0.000000
H       -0.143400      0.668700     -2.156100
H       -0.143400      0.668700      2.156100
I       -0.338500     -1.659800      0.000000

18
ax wB97x-D/6-31G*
C        0.852500     -0.767300      0.000000
C        1.461100      1.364400      1.266000
C        1.461100      1.364400     -1.266000
C        2.120600      1.921400      0.000000
C        1.461100     -0.166400     -1.266600
C        1.461100     -0.166400      1.266600
H        0.427800      1.727800      1.332700
H        0.427800      1.727800     -1.332700
H        3.187100      1.653000      0.000000
H        2.503100     -0.521600     -1.298800
H        2.503100     -0.521600      1.298800
H        1.982900      1.727400      2.158400
H        1.982900      1.727400     -2.158400
H        2.071000      3.016000      0.000000
H        0.964600     -0.560800     -2.158100
H        0.964600     -0.560800      2.158100
H        0.958800     -1.852700      0.000000
I       -1.337400     -0.544600      0.000000

18
eq M06-2X/6-31G*
C       -0.310300      0.523200      0.000000
C        0.364100      2.579500      1.259300
C        0.364100      2.579500     -1.259300
C        1.036700      3.129400      0.000000
C        0.364100      1.044100     -1.264200
C        0.364100      1.044100      1.264200
H       -0.672000      2.941600      1.305300
H       -0.672000      2.941600     -1.305300
H        2.095700      2.837400      0.000000
H        1.397600      0.676000     -1.294100
H        1.397600      0.676000      1.294100
H       -1.371600      0.787300      0.000000
H        0.868300      2.946800      2.159400
H        0.868300      2.946800     -2.159400
H        1.007900      4.224100      0.000000
H       -0.143600      0.659800     -2.153700
H       -0.143600      0.659800      2.153700
I       -0.334500     -1.654700      0.000000

18
ax M06-2X/6-31G*
C        0.841600     -0.792100      0.000000
C        1.457500      1.330700      1.263700
C        1.457500      1.330700     -1.263700
C        2.124600      1.880800      0.000000
C        1.457500     -0.199000     -1.265100
C        1.457500     -0.199000      1.265100
H        0.423200      1.692500      1.320200
H        0.423200      1.692500     -1.320200
H        3.186400      1.596300      0.000000
H        2.499600     -0.553700     -1.292800
H        2.499600     -0.553700      1.292800
H        1.972600      1.696000      2.158200
H        1.972600      1.696000     -2.158200
H        2.090200      2.975200      0.000000
H        0.961000     -0.594900     -2.155500
H        0.961000     -0.594900      2.155500
H        0.926200     -1.879300      0.000000
I       -1.333800     -0.514800      0.000000

18
eq wB97x-V/6-31G*
C        0.408272      0.000000     -1.345841
C        0.162299      1.263049      0.810994
C        0.162299     -1.263049      0.810994
C       -0.383984      0.000000      1.488409
C       -0.147744     -1.267989     -0.695645
C       -0.147744      1.267989     -0.695645
H        1.252452      1.313980      0.958459
H        1.252452     -1.313980      0.958459
H       -1.483253      0.000000      1.423128
H       -1.236253     -1.302835     -0.849437
H       -1.236253      1.302835     -0.849437
H        1.503097      0.000000     -1.294803
H       -0.261697      2.163992      1.274160
H       -0.261697     -2.163992      1.274160
H       -0.128610      0.000000      2.556443
H        0.275938     -2.159260     -1.174363
H        0.275938      2.159260     -1.174363
I       -0.005511      0.000000     -3.475670

18
ax wB97x-V/6-31G*
C        0.362329      0.000000      1.423591
C       -0.431916      1.267146     -0.647004
C       -0.431916     -1.267146     -0.647004
C       -0.236091     -0.000000     -1.491144
C        0.494649     -1.268189      0.574701
C        0.494649      1.268189      0.574701
H       -1.477495      1.329115     -0.312182
H       -1.477494     -1.329115     -0.312181
H        0.781261      0.000000     -1.914663
H        1.541824     -1.299654      0.229167
H        1.541824      1.299654      0.229167
H       -0.238203      2.162951     -1.251858
H       -0.238203     -2.162951     -1.251858
H       -0.932032     -0.000000     -2.340585
H        0.334762     -2.161034      1.190936
H        0.334762      2.161034      1.190935
H        1.100288      0.000000      2.230193
I       -1.523000     -0.000000      2.525087

18
eq MP2/6-31G*
C       -0.308300      0.525700      0.000000
C        0.364500      2.579000      1.258900
C        0.364500      2.579000     -1.258900
C        1.033500      3.130700      0.000000
C        0.364500      1.045300     -1.263800
C        0.364500      1.045300      1.263800
H       -0.671000      2.942400      1.310200
H       -0.671000      2.942400     -1.310200
H        2.094700      2.846900      0.000000
H        1.397300      0.676000     -1.298600
H        1.397300      0.676000      1.298600
H       -1.370700      0.790500      0.000000
H        0.871600      2.946900      2.159000
H        0.871600      2.946900     -2.159000
H        0.999200      4.226600      0.000000
H       -0.145100      0.661700     -2.154100
H       -0.145100      0.661700      2.154100
I       -0.334500     -1.655600      0.000000

18
ax MP2/6-31G*
C       -0.841000     -0.789200      0.000000
C       -1.458400      1.330800     -1.263400
C       -1.458400      1.330800      1.263400
C       -2.121100      1.883100      0.000000
C       -1.458400     -0.197400      1.263800
C       -1.458400     -0.197400     -1.263800
H       -0.425600      1.693700     -1.326400
H       -0.425600      1.693700      1.326400
H       -3.185300      1.608100      0.000000
H       -2.499800     -0.553700      1.294100
H       -2.499800     -0.553700     -1.294100
H       -1.978000      1.695900     -2.157300
H       -1.978000      1.695900      2.157300
H       -2.079900      2.978900      0.000000
H       -0.960700     -0.592100      2.155800
H       -0.960700     -0.592100     -2.155800
H       -0.931700     -1.878500      0.000000
I        1.333900     -0.516200      0.000000

18
eq HF/6-311+G**
C       -0.308600      0.518100      0.000000
C        0.355700      2.583200      1.262200
C        0.355700      2.583200     -1.262200
C        1.013600      3.143900      0.000000
C        0.355700      1.048100     -1.267500
C        0.355700      1.048100      1.267500
H       -0.669900      2.944800      1.327700
H       -0.669900      2.944800     -1.327700
H        2.071800      2.885100      0.000000
H        1.378700      0.683700     -1.317600
H        1.378700      0.683700      1.317600
H       -1.362500      0.760400      0.000000
H        0.868800      2.943900      2.149400
H        0.868800      2.943900     -2.149400
H        0.958200      4.229100      0.000000
H       -0.159100      0.674900     -2.145800
H       -0.159100      0.674900      2.145800
I       -0.325900     -1.658800      0.000000

18
ax HF/6-311+G**
C        0.855900     -0.738500      0.000000
C        1.454500      1.399000      1.265700
C        1.454500      1.399000     -1.265700
C        2.109000      1.959000      0.000000
C        1.454500     -0.130900     -1.267700
C        1.454500     -0.130900      1.267700
H        0.433500      1.763500      1.340400
H        0.433500      1.763500     -1.340400
H        3.169200      1.705800      0.000000
H        2.486800     -0.483300     -1.312000
H        2.486800     -0.483300      1.312000
H        1.978600      1.756200      2.148000
H        1.978600      1.756200     -2.148000
H        2.049400      3.043800      0.000000
H        0.954900     -0.518200     -2.147900
H        0.954900     -0.518200      2.147900
H        0.980500     -1.809800      0.000000
I       -1.332200     -0.575800      0.000000

18
eq B3LYP/6-311+G**
C       -0.310200      0.530900      0.000000
C        0.351800      2.601700      1.266000
C        0.351800      2.601700     -1.266000
C        1.010400      3.165200      0.000000
C        0.351800      1.059700     -1.269700
C        0.351800      1.059700      1.269700
H       -0.681600      2.964900      1.332200
H       -0.681600      2.964900     -1.332200
H        2.076600      2.905200      0.000000
H        1.383500      0.694100     -1.319500
H        1.383500      0.694100      1.319500
H       -1.376700      0.761500      0.000000
H        0.866300      2.964200      2.161600
H        0.866300      2.964200     -2.161600
H        0.955800      4.258400      0.000000
H       -0.164100      0.681200     -2.155400
H       -0.164100      0.681200      2.155400
I       -0.322800     -1.672600      0.000000

18
ax B3LYP/6-311+G**
C        0.870300     -0.758100      0.000000
C        1.467300      1.381100      1.270200
C        1.467300      1.381100     -1.270200
C        2.120700      1.945700      0.000000
C        1.467300     -0.153400     -1.270400
C        1.467300     -0.153400      1.270400
H        0.435700      1.742100      1.343900
H        0.435700      1.742100     -1.343900
H        3.189800      1.694400      0.000000
H        2.507800     -0.509400     -1.317800
H        2.507800     -0.509400      1.317800
H        1.990400      1.744200      2.160300
H        1.990400      1.744200     -2.160300
H        2.059100      3.038400      0.000000
H        0.964200     -0.546300     -2.156700
H        0.964200     -0.546300      2.156700
H        0.968900     -1.841700      0.000000
I       -1.342900     -0.558700      0.000000

18
eq B3LYP-D3/6-311+G**
C       -0.457900      0.000000      0.412100
C       -2.617900      1.264500      0.189200
C       -2.617900     -1.264500      0.189200
C       -3.302000     -0.000000     -0.346000
C       -1.110200     -1.268700     -0.131300
C       -1.110200      1.268700     -0.131300
H       -2.757100      1.321200      1.276200
H       -2.757100     -1.321200      1.276200
H       -3.253600     -0.000000     -1.442300
H       -0.967000     -1.310400     -1.216700
H       -0.967100      1.310400     -1.216700
H       -0.475100      0.000000      1.503400
H       -3.080400      2.162100     -0.232800
H       -3.080400     -2.162100     -0.232800
H       -4.362900     -0.000000     -0.077700
H       -0.631600     -2.155400      0.290400
H       -0.631600      2.155400      0.290400
I        1.703000     -0.000000     -0.024700

18
ax B3LYP-D3/6-311+G**
C        0.865700     -0.775700      0.000000
C        1.471000      1.358000      1.269200
C        1.471000      1.358000     -1.269200
C        2.129800      1.918000      0.000000
C        1.471000     -0.176300     -1.269300
C        1.471000     -0.176300      1.269300
H        0.438400      1.717500      1.334900
H        0.438400      1.717500     -1.334900
H        3.195800      1.654000      0.000000
H        2.511700     -0.532100     -1.307500
H        2.511700     -0.532100      1.307500
H        1.989500      1.722600      2.161000
H        1.989500      1.722600     -2.161000
H        2.078400      3.011000      0.000000
H        0.971700     -0.570600     -2.157000
H        0.971700     -0.570600      2.157000
H        0.951900     -1.860800      0.000000
I       -1.345700     -0.538000      0.000000

18
eq wB97x-D/6-311+G**
C       -0.303700      0.511500      0.000000
C        0.364400      2.575000      1.260300
C        0.364400      2.575000     -1.260300
C        1.027900      3.131000      0.000000
C        0.364400      1.040900     -1.264800
C        0.364400      1.040900      1.264800
H       -0.669800      2.937400      1.316700
H       -0.669800      2.937400     -1.316700
H        2.090200      2.855900      0.000000
H        1.397000      0.674800     -1.306300
H        1.397000      0.674800      1.306300
H       -1.363800      0.774900      0.000000
H        0.874000      2.940600      2.156400
H        0.874000      2.940600     -2.156400
H        0.985100      4.224000      0.000000
H       -0.146900      0.662000     -2.152900
H       -0.146900      0.662000      2.152900
I       -0.334200     -1.651500      0.000000

18
ax wB97x-D/6-311+G**
C        0.840500     -0.762500      0.000000
C        1.452200      1.365800      1.264400
C        1.452200      1.365800     -1.264400
C        2.110200      1.922800      0.000000
C        1.452200     -0.163400     -1.264700
C        1.452200     -0.163400      1.264700
H        0.420500      1.729200      1.330900
H        0.420500      1.729200     -1.330900
H        3.175400      1.656300      0.000000
H        2.492400     -0.517800     -1.300100
H        2.492400     -0.517800      1.300100
H        1.971900      1.729100      2.155400
H        1.971900      1.729100     -2.155400
H        2.060300      3.015400      0.000000
H        0.955600     -0.555800     -2.154900
H        0.955600     -0.555800      2.154900
H        0.952700     -1.845600      0.000000
I       -1.328800     -0.546900      0.000000

18
eq M06-2X/6-311+G**
C       -0.312300      0.516800      0.000000
C        0.360800      2.572500      1.259200
C        0.360800      2.572500     -1.259200
C        1.032600      3.122600      0.000000
C        0.360800      1.037400     -1.263500
C        0.360800      1.037400      1.263500
H       -0.673000      2.934500      1.306800
H       -0.673000      2.934500     -1.306800
H        2.090100      2.833000      0.000000
H        1.392400      0.669700     -1.294500
H        1.392400      0.669700      1.294500
H       -1.372900      0.774200      0.000000
H        0.865800      2.938300      2.156800
H        0.865800      2.938300     -2.156800
H        1.001800      4.215100      0.000000
H       -0.147400      0.653800     -2.150300
H       -0.147400      0.653800      2.150300
I       -0.331600     -1.648500      0.000000

18
ax M06-2X/6-311+G**
C        0.836000     -0.793000      0.000000
C        1.449800      1.328100      1.263300
C        1.449800      1.328100     -1.263300
C        2.117000      1.878000      0.000000
C        1.449800     -0.201300     -1.265100
C        1.449800     -0.201300      1.265100
H        0.417800      1.689600      1.319400
H        0.417800      1.689600     -1.319400
H        3.177200      1.595500      0.000000
H        2.489700     -0.556000     -1.296900
H        2.489700     -0.556000      1.296900
H        1.964400      1.692800      2.155600
H        1.964400      1.692800     -2.155600
H        2.080700      2.970200      0.000000
H        0.949900     -0.595200     -2.151700
H        0.949900     -0.595200      2.151700
H        0.915500     -1.878000      0.000000
I       -1.327000     -0.512900      0.000000

18
eq wB97x-V/6-311+G**
C        0.407343     -0.000000     -1.344286
C        0.161548      1.261941      0.810864
C        0.161551     -1.261941      0.810863
C       -0.383477     -0.000001      1.487524
C       -0.146526     -1.266837     -0.694228
C       -0.146524      1.266837     -0.694228
H        1.250079      1.314376      0.959777
H        1.250083     -1.314374      0.959773
H       -1.481464     -0.000003      1.423739
H       -1.233485     -1.303713     -0.849384
H       -1.233483      1.303719     -0.849385
H        1.500783      0.000001     -1.298262
H       -0.262879      2.161139      1.272794
H       -0.262873     -2.161137      1.272799
H       -0.127966     -0.000002      2.553756
H        0.277904     -2.156083     -1.172116
H        0.277912      2.156080     -1.172114
I       -0.008528     -0.000002     -3.477887

18
ax wB97x-V/6-311+G**
C        0.363313      0.000001      1.420039
C       -0.430354      1.266006     -0.646408
C       -0.430359     -1.266004     -0.646404
C       -0.236320     -0.000001     -1.489436
C        0.495677     -1.267327      0.573720
C        0.495675      1.267330      0.573722
H       -1.474155      1.328273     -0.311002
H       -1.474159     -1.328264     -0.310990
H        0.778319     -0.000004     -1.915823
H        1.541670     -1.300642      0.229224
H        1.541671      1.300645      0.229234
H       -0.237927      2.160216     -1.250793
H       -0.237940     -2.160219     -1.250783
H       -0.933392      0.000000     -2.335650
H        0.334473     -2.157719      1.189978
H        0.334466      2.157722      1.189979
H        1.096617      0.000005      2.228075
I       -1.527275     -0.000020      2.523320

18
eq MP2/6-311+G**
C       -0.313000      0.511200      0.000000
C        0.361700      2.567000      1.259700
C        0.361700      2.567000     -1.259700
C        1.038000      3.114100      0.000000
C        0.361700      1.030800     -1.265100
C        0.361700      1.030800      1.265100
H       -0.674700      2.929500      1.303200
H       -0.674700      2.929500     -1.303200
H        2.095600      2.816300      0.000000
H        1.395200      0.660900     -1.295200
H        1.395200      0.660900      1.295200
H       -1.376900      0.773200      0.000000
H        0.867100      2.934500      2.160400
H        0.867100      2.934500     -2.160400
H        1.012500      4.209900      0.000000
H       -0.149800      0.645800     -2.153500
H       -0.149800      0.645800      2.153500
I       -0.332800     -1.642800      0.000000

18
ax MP2/6-311+G**
C       -0.821600     -0.806800      0.000000
C       -1.443800      1.310800     -1.264800
C       -1.443800      1.310800      1.264800
C       -2.112500      1.859200      0.000000
C       -1.443800     -0.219700      1.266100
C       -1.443800     -0.219700     -1.266100
H       -0.410700      1.675100     -1.321900
H       -0.410700      1.675100      1.321900
H       -3.173900      1.572300      0.000000
H       -2.486100     -0.575200      1.292500
H       -2.486100     -0.575200     -1.292500
H       -1.963200      1.675600     -2.158400
H       -1.963200      1.675600      2.158400
H       -2.077700      2.954600      0.000000
H       -0.942800     -0.615100      2.155700
H       -0.942800     -0.615100     -2.155700
H       -0.893900     -1.897300      0.000000
I        1.320900     -0.497300      0.000000
