18
eq HF/6-31G*
C        0.503000      0.511400      0.000000
C       -0.163600     -1.552000      1.263300
C       -0.163600     -1.552000     -1.263300
C       -0.821500     -2.113900      0.000000
C       -0.163600     -0.018200     -1.264800
C       -0.163600     -0.018200      1.264800
H        0.860900     -1.914000      1.328900
H        0.860900     -1.914000     -1.328900
H       -1.878900     -1.856200      0.000000
H       -1.184300      0.351500     -1.306100
H       -1.184300      0.351500      1.306100
H        1.552600      0.251800      0.000000
H       -0.676400     -1.913400      2.149500
H       -0.676400     -1.913400     -2.149500
H       -0.764500     -3.198500      0.000000
H        0.350800      0.363100     -2.139800
H        0.350800      0.363100      2.139800
Cl       0.484000      2.322700      0.000000

18
ax HF/6-31G*
C        0.000600     -1.073700      0.000000
C       -0.607800      1.055200     -1.265000
C       -0.607800      1.055200      1.265000
C       -1.266900      1.613200      0.000000
C       -0.607800     -0.475700      1.266900
C       -0.607800     -0.475700     -1.266900
H        0.413200      1.417800     -1.334300
H        0.413200      1.417800      1.334300
H       -2.324900      1.354100      0.000000
H       -1.635100     -0.834700      1.316900
H       -1.635100     -0.834700     -1.316900
H       -1.127700      1.413400     -2.148700
H       -1.127700      1.413400      2.148700
H       -1.213100      2.697900      0.000000
H       -0.095300     -0.862400      2.140200
H       -0.095300     -0.862400     -2.140200
H       -0.119000     -2.146300      0.000000
Cl       1.807800     -0.844900      0.000000

18
eq B3LYP/6-31G*
C        0.503300      0.508200      0.000000
C       -0.162100     -1.563400      1.267500
C       -0.162100     -1.563400     -1.267500
C       -0.821600     -2.127600      0.000000
C       -0.162100     -0.022900     -1.268800
C       -0.162100     -0.022900      1.268800
H        0.873500     -1.928000      1.332500
H        0.873500     -1.928000     -1.332500
H       -1.889600     -1.865500      0.000000
H       -1.194400      0.349100     -1.308800
H       -1.194400      0.349100      1.308800
H        1.567800      0.253300      0.000000
H       -0.676600     -1.928600      2.164700
H       -0.676600     -1.928600     -2.164700
H       -0.767600     -3.223300      0.000000
H        0.354400      0.364900     -2.153500
H        0.354400      0.364900      2.153500
Cl       0.481000      2.345400      0.000000

18
ax B3LYP/6-31G*
C        0.005900     -1.081400      0.000000
C        0.614700      1.052600      1.269700
C        0.614700      1.052600     -1.269700
C        1.274000      1.614200      0.000000
C        0.614700     -0.483300     -1.271200
C        0.614700     -0.483300      1.271200
H       -0.419600      1.412900      1.336700
H       -0.419600      1.412900     -1.336700
H        2.343300      1.353600      0.000000
H        1.652800     -0.847300     -1.320000
H        1.652800     -0.847300      1.320000
H        1.134500      1.417800      2.164000
H        1.134500      1.417800     -2.164000
H        1.220700      2.710000      0.000000
H        0.099400     -0.877300     -2.153600
H        0.099400     -0.877300      2.153600
H        0.110500     -2.168600      0.000000
Cl      -1.826000     -0.831500      0.000000

18
eq B3LYP-D3/6-31G*
C       -0.608400     -0.000000      0.375300
C        1.558000     -1.266100      0.201700
C        1.558000      1.266100      0.201700
C        2.255700      0.000000     -0.317500
C        0.059800      1.267800     -0.154400
C        0.059800     -1.267800     -0.154400
H        1.672300     -1.322000      1.294100
H        1.672300      1.322000      1.294100
H        2.232600      0.000000     -1.416900
H       -0.063900      1.300200     -1.244800
H       -0.063900     -1.300200     -1.244800
H       -0.596400     -0.000000      1.470300
H        2.032700     -2.165400     -0.209000
H        2.032700      2.165400     -0.209000
H        3.312500      0.000000     -0.023400
H       -0.439100      2.152700      0.254700
H       -0.439100     -2.152700      0.254700
Cl      -2.391200      0.000000     -0.066700

18
ax B3LYP-D3/6-31G*
C        0.694400      0.000000      0.834900
C       -1.138700     -1.268400     -0.407500
C       -1.138700      1.268400     -0.407500
C       -2.006400     -0.000000     -0.410600
C       -0.158100      1.270400      0.774200
C       -0.158100     -1.270400      0.774200
H       -0.569900     -1.325300     -1.344000
H       -0.569900      1.325300     -1.344000
H       -2.651700     -0.000000      0.481100
H       -0.724000      1.311400      1.717700
H       -0.724000     -1.311300      1.717700
H       -1.768900     -2.164900     -0.362200
H       -1.768900      2.164900     -0.362200
H       -2.673800     -0.000000     -1.281000
H        0.489300      2.153200      0.750100
H        0.489300     -2.153200      0.750100
H        1.322300      0.000000      1.729100
Cl       1.916700      0.000000     -0.552900

18
eq wB97x-D/6-31G*
C        0.503200      0.508500      0.000000
C       -0.166900     -1.553300      1.262200
C       -0.166900     -1.553300     -1.262200
C       -0.830800     -2.110800      0.000000
C       -0.166900     -0.018900     -1.264000
C       -0.166900     -0.018900      1.264000
H        0.868500     -1.917200      1.319100
H        0.868500     -1.917200     -1.319100
H       -1.894700     -1.836000      0.000000
H       -1.199100      0.352800     -1.296900
H       -1.199100      0.352800      1.296900
H        1.562900      0.234500      0.000000
H       -0.678100     -1.919400      2.159300
H       -0.678100     -1.919400     -2.159300
H       -0.785800     -3.205600      0.000000
H        0.347000      0.368400     -2.149300
H        0.347000      0.368400      2.149300
Cl       0.494900      2.324600      0.000000

18
ax wB97x-D/6-31G*
C       -0.006600     -1.078800      0.000000
C        0.610700      1.044300      1.264400
C        0.610700      1.044300     -1.264400
C        1.274200      1.599200      0.000000
C        0.610700     -0.486600     -1.266000
C        0.610700     -0.486600      1.266000
H       -0.423200      1.405900      1.324800
H       -0.423200      1.405900     -1.324800
H        2.339400      1.325700      0.000000
H        1.648200     -0.849300     -1.306200
H        1.648200     -0.849300      1.306200
H        1.127800      1.409100      2.158700
H        1.127800      1.409100     -2.158700
H        1.229700      2.694000      0.000000
H        0.099300     -0.879900     -2.149900
H        0.099300     -0.879900      2.149900
H        0.098400     -2.165500      0.000000
Cl      -1.813700     -0.814200      0.000000

18
eq M06-2X/6-31G*
C        0.507400      0.506600      0.000000
C       -0.166600     -1.550700      1.260200
C       -0.166600     -1.550700     -1.260200
C       -0.837100     -2.102700      0.000000
C       -0.166600     -0.017400     -1.261600
C       -0.166600     -0.017400      1.261600
H        0.869300     -1.913600      1.308000
H        0.869300     -1.913600     -1.308000
H       -1.897100     -1.814300      0.000000
H       -1.198600      0.355900     -1.284700
H       -1.198600      0.355900      1.284700
H        1.566200      0.228500      0.000000
H       -0.671500     -1.918900      2.159200
H       -0.671500     -1.918900     -2.159200
H       -0.804500     -3.197300      0.000000
H        0.342600      0.375200     -2.146800
H        0.342600      0.375200      2.146800
Cl       0.495900      2.316500      0.000000

18
ax M06-2X/6-31G*
C       -0.015700     -1.084100      0.000000
C        0.609300      1.029300      1.262100
C        0.609300      1.029300     -1.262100
C        1.281100      1.577100      0.000000
C        0.609300     -0.500800     -1.264900
C        0.609300     -0.500800      1.264900
H       -0.425400      1.389400      1.311800
H       -0.425400      1.389400     -1.311800
H        2.341500      1.287100      0.000000
H        1.646400     -0.864200     -1.300300
H        1.646400     -0.864200      1.300300
H        1.119400      1.396500      2.158700
H        1.119400      1.396500     -2.158700
H        1.252100      2.671800      0.000000
H        0.097300     -0.895200     -2.147500
H        0.097300     -0.895200      2.147500
H        0.066200     -2.172800      0.000000
Cl      -1.808900     -0.772900      0.000000

18
eq wB97x-V/6-31G*
C        0.382701     -0.000000     -1.373163
C        0.172389      1.263811      0.787956
C        0.172388     -1.263811      0.787956
C       -0.360284      0.000000      1.475689
C       -0.161776     -1.265143     -0.711843
C       -0.161776      1.265142     -0.711843
H        1.264728      1.316724      0.918409
H        1.264728     -1.316724      0.918410
H       -1.460601      0.000000      1.432037
H       -1.252246     -1.293224     -0.852907
H       -1.252246      1.293223     -0.852906
H        1.478856      0.000000     -1.329249
H       -0.244889      2.163841      1.258392
H       -0.244890     -2.163841      1.258392
H       -0.083787      0.000000      2.538475
H        0.253750     -2.152482     -1.205294
H        0.253750      2.152482     -1.205294
Cl      -0.020796      0.000000     -3.133216

18
ax wB97x-V/6-31G*
C        0.346560      0.000000      1.430812
C       -0.448681      1.265776     -0.632402
C       -0.448681     -1.265776     -0.632402
C       -0.253447      0.000000     -1.478317
C        0.485324     -1.267845      0.583951
C        0.485324      1.267845      0.583951
H       -1.491362      1.321796     -0.289081
H       -1.491362     -1.321797     -0.289082
H        0.763442     -0.000000     -1.903234
H        1.531768     -1.306766      0.241120
H        1.531768      1.306766      0.241120
H       -0.263163      2.163378     -1.237180
H       -0.263163     -2.163378     -1.237180
H       -0.950762     -0.000000     -2.326724
H        0.317016     -2.152947      1.209638
H        0.317016      2.152947      1.209638
H        1.086097     -0.000000      2.237607
Cl      -1.253694      0.000000      2.287764

18
eq MP2/6-31G*
C        0.505200      0.510200      0.000000
C       -0.165600     -1.547500      1.258800
C       -0.165600     -1.547500     -1.258800
C       -0.833100     -2.100800      0.000000
C       -0.165600     -0.016400     -1.259600
C       -0.165600     -0.016400      1.259600
H        0.869300     -1.912000      1.311300
H        0.869300     -1.912000     -1.311300
H       -1.894700     -1.819400      0.000000
H       -1.196800      0.357200     -1.289100
H       -1.196800      0.357200      1.289100
H        1.563600      0.228900      0.000000
H       -0.672900     -1.915600      2.158100
H       -0.672900     -1.915600     -2.158100
H       -0.796100     -3.196400      0.000000
H        0.345500      0.374600     -2.145900
H        0.345500      0.374600      2.145900
Cl       0.492800      2.311100      0.000000

18
ax MP2/6-31G*
C       -0.018800     -1.080200      0.000000
C        0.606800      1.031500      1.261300
C        0.606800      1.031500     -1.261300
C        1.273700      1.581800      0.000000
C        0.606800     -0.496400     -1.262100
C        0.606800     -0.496400      1.262100
H       -0.425700      1.394800      1.319100
H       -0.425700      1.394800     -1.319100
H        2.336300      1.301100      0.000000
H        1.643600     -0.859800     -1.300900
H        1.643600     -0.859800      1.300900
H        1.121900      1.397300      2.157100
H        1.121900      1.397300     -2.157100
H        1.238000      2.677500      0.000000
H        0.095200     -0.890500     -2.146500
H        0.095200     -0.890500      2.146500
H        0.078800     -2.169200      0.000000
Cl      -1.800900     -0.783700      0.000000

18
eq HF/6-311+G**
C        0.502600      0.510700      0.000000
C       -0.160500     -1.553000      1.262800
C       -0.160500     -1.553000     -1.262800
C       -0.816600     -2.115700      0.000000
C       -0.160500     -0.019800     -1.264500
C       -0.160500     -0.019800      1.264500
H        0.864800     -1.915500      1.329800
H        0.864800     -1.915500     -1.329800
H       -1.875600     -1.860100      0.000000
H       -1.182100      0.350000     -1.308100
H       -1.182100      0.350000      1.308100
H        1.555300      0.261200      0.000000
H       -0.674200     -1.913900      2.149300
H       -0.674200     -1.913900     -2.149300
H       -0.757500     -3.200700      0.000000
H        0.355600      0.361300     -2.139100
H        0.355600      0.361300      2.139100
Cl       0.475700      2.325800      0.000000

18
ax HF/6-311+G**
C       -0.005000     -1.071900      0.000000
C       -0.607600      1.057900     -1.264300
C       -0.607600      1.057900      1.264300
C       -1.266000      1.616300      0.000000
C       -0.607600     -0.472400      1.267000
C       -0.607600     -0.472400     -1.267000
H        0.414600      1.420000     -1.332300
H        0.414600      1.420000      1.332300
H       -2.325400      1.358700      0.000000
H       -1.635600     -0.831700      1.320400
H       -1.635600     -0.831700     -1.320400
H       -1.126600      1.416900     -2.148800
H       -1.126600      1.416900      2.148800
H       -1.210400      2.701300      0.000000
H       -0.092200     -0.859300      2.138900
H       -0.092200     -0.859300     -2.138900
H       -0.124800     -2.144500      0.000000
Cl       1.808800     -0.852900      0.000000

18
eq B3LYP/6-311+G**
C        0.502300      0.507400      0.000000
C       -0.159700     -1.563200      1.266700
C       -0.159700     -1.563200     -1.266700
C       -0.816800     -2.128400      0.000000
C       -0.159700     -0.023600     -1.267600
C       -0.159700     -0.023600      1.267600
H        0.873200     -1.927700      1.334300
H        0.873200     -1.927700     -1.334300
H       -1.883700     -1.871200      0.000000
H       -1.189800      0.347600     -1.310500
H       -1.189800      0.347600      1.310500
H        1.566700      0.264000      0.000000
H       -0.674800     -1.926300      2.161300
H       -0.674800     -1.926300     -2.161300
H       -0.759100     -3.221400      0.000000
H        0.358000      0.362100     -2.149400
H        0.358000      0.362100      2.149400
Cl       0.474300      2.346200      0.000000

18
ax B3LYP/6-311+G**
C        0.011600     -1.078300      0.000000
C        0.613600      1.055900      1.268700
C        0.613600      1.055900     -1.268700
C        1.272000      1.617800      0.000000
C        0.613600     -0.479000     -1.270600
C        0.613600     -0.479000      1.270600
H       -0.418200      1.416600      1.336000
H       -0.418200      1.416600     -1.336000
H        2.339800      1.360400      0.000000
H        1.649300     -0.842100     -1.325700
H        1.649300     -0.842100      1.325700
H        1.132200      1.420100      2.160800
H        1.132200      1.420100     -2.160800
H        1.216100      2.710800      0.000000
H        0.095200     -0.871500     -2.148700
H        0.095200     -0.871500      2.148700
H        0.116600     -2.162300      0.000000
Cl      -1.824600     -0.842000      0.000000

18
eq B3LYP-D3/6-311+G**
C        0.606400      0.000000      0.375700
C       -1.557700      1.265300      0.200500
C       -1.557700     -1.265300      0.200500
C       -2.254800      0.000000     -0.317700
C       -0.059700     -1.266500     -0.152400
C       -0.059700      1.266500     -0.152400
H       -1.674600      1.323600      1.290200
H       -1.674600     -1.323600      1.290200
H       -2.233400      0.000000     -1.414900
H        0.066000     -1.301400     -1.240200
H        0.066000      1.301400     -1.240200
H        0.602800      0.000000      1.468000
H       -2.029700      2.162000     -0.212000
H       -2.029700     -2.162000     -0.212000
H       -3.308700      0.000000     -0.023000
H        0.436700     -2.148600      0.259200
H        0.436700      2.148600      0.259200
Cl       2.390600      0.000000     -0.067700

18
ax B3LYP-D3/6-311+G**
C       -0.690900      0.000000      0.834200
C        1.140700      1.267300     -0.406900
C        1.140700     -1.267300     -0.406900
C        2.007900      0.000000     -0.408200
C        0.157500     -1.269700      0.771400
C        0.157500      1.269700      0.771400
H        0.576300      1.324200     -1.343500
H        0.576300     -1.324200     -1.343500
H        2.651400      0.000000      0.481900
H        0.719600     -1.316200      1.714300
H        0.719600      1.316200      1.714300
H        1.769000      2.161800     -0.360100
H        1.769000     -2.161800     -0.360100
H        2.674300      0.000000     -1.276200
H       -0.490900     -2.148400      0.742800
H       -0.490900      2.148400      0.742800
H       -1.320000     -0.000000      1.723800
Cl      -1.919600      0.000000     -0.551000

18
eq wB97x-D/6-311+G**
C        0.502300      0.507600      0.000000
C       -0.164800     -1.552600      1.260800
C       -0.164800     -1.552600     -1.260800
C       -0.827000     -2.110300      0.000000
C       -0.164800     -0.019900     -1.262400
C       -0.164800     -0.019900      1.262400
H        0.869000     -1.916400      1.318900
H        0.869000     -1.916400     -1.318900
H       -1.889900     -1.838000      0.000000
H       -1.195500      0.351400     -1.297100
H       -1.195500      0.351400      1.297100
H        1.562500      0.243000      0.000000
H       -0.675000     -1.917800      2.156400
H       -0.675000     -1.917800     -2.156400
H       -0.780800     -3.203100      0.000000
H        0.349300      0.366500     -2.145800
H        0.349300      0.366500      2.145800
Cl       0.489100      2.324500      0.000000

18
ax wB97x-D/6-311+G**
C       -0.001900     -1.075900      0.000000
C        0.609600      1.046200      1.262700
C        0.609600      1.046200     -1.262700
C        1.273000      1.600400      0.000000
C        0.609600     -0.483200     -1.265100
C        0.609600     -0.483200      1.265100
H       -0.422700      1.407400      1.321500
H       -0.422700      1.407400     -1.321500
H        2.336900      1.328000      0.000000
H        1.645500     -0.845500     -1.310200
H        1.645500     -0.845500      1.310200
H        1.124000      1.411100      2.156100
H        1.124000      1.411100     -2.156100
H        1.228700      2.693200      0.000000
H        0.096000     -0.875800     -2.145700
H        0.096000     -0.875800      2.145700
H        0.102200     -2.160400      0.000000
Cl      -1.812400     -0.821000      0.000000

18
eq M06-2X/6-311+G**
C        0.507400      0.504900      0.000000
C       -0.164900     -1.550700      1.259800
C       -0.164900     -1.550700     -1.259800
C       -0.835300     -2.102500      0.000000
C       -0.164900     -0.017600     -1.261000
C       -0.164900     -0.017600      1.261000
H        0.868600     -1.913800      1.308500
H        0.868600     -1.913800     -1.308500
H       -1.893500     -1.815700      0.000000
H       -1.194800      0.355200     -1.285800
H       -1.194800      0.355200      1.285800
H        1.566200      0.236700      0.000000
H       -0.670100     -1.916900      2.156700
H       -0.670100     -1.916900     -2.156700
H       -0.801100     -3.194800      0.000000
H        0.345700      0.373100     -2.143600
H        0.345700      0.373100      2.143600
Cl       0.491500      2.316600      0.000000

18
ax M06-2X/6-311+G**
C       -0.011000     -1.081900      0.000000
C        0.608300      1.031800      1.261200
C        0.608300      1.031800     -1.261200
C        1.281700      1.578700      0.000000
C        0.608300     -0.497900     -1.265000
C        0.608300     -0.497900      1.265000
H       -0.424300      1.392000      1.308400
H       -0.424300      1.392000     -1.308400
H        2.340100      1.289100      0.000000
H        1.643300     -0.860700     -1.306000
H        1.643300     -0.860700      1.306000
H        1.116300      1.398300      2.156400
H        1.116300      1.398300     -2.156400
H        1.252000      2.671100      0.000000
H        0.092300     -0.890400     -2.143400
H        0.092300     -0.890400      2.143400
H        0.069300     -2.167900      0.000000
Cl      -1.808200     -0.779900      0.000000

18
eq wB97x-V/6-311+G**
C        0.381729     -0.000001     -1.370752
C        0.171787      1.262459      0.787917
C        0.171786     -1.262457      0.787915
C       -0.360329      0.000001      1.474690
C       -0.160206     -1.263758     -0.710795
C       -0.160207      1.263756     -0.710793
H        1.262427      1.316528      0.920268
H        1.262426     -1.316527      0.920265
H       -1.459258      0.000000      1.431618
H       -1.249119     -1.294034     -0.853080
H       -1.249120      1.294034     -0.853072
H        1.476441      0.000003     -1.336135
H       -0.245771      2.161039      1.256654
H       -0.245774     -2.161034      1.256657
H       -0.084449     -0.000002      2.535819
H        0.256858     -2.149065     -1.202749
H        0.256857      2.149062     -1.202748
Cl      -0.026078     -0.000002     -3.131678

18
ax wB97x-V/6-311+G**
C        0.349945     -0.000000      1.426841
C       -0.448211      1.263958     -0.632690
C       -0.448216     -1.263955     -0.632685
C       -0.251319     -0.000001     -1.477813
C        0.483973     -1.267214      0.583327
C        0.483968      1.267216      0.583331
H       -1.489936      1.317496     -0.290672
H       -1.489938     -1.317489     -0.290660
H        0.764536     -0.000006     -1.901644
H        1.529216     -1.311321      0.241815
H        1.529214      1.311323      0.241826
H       -0.264822      2.160883     -1.235789
H       -0.264836     -2.160883     -1.235782
H       -0.946708     -0.000001     -2.325453
H        0.312264     -2.148777      1.209909
H        0.312254      2.148780      1.209914
H        1.086827      0.000004      2.233055
Cl      -1.248211     -0.000014      2.293168

18
eq MP2/6-311+G**
C        0.507400      0.511900      0.000000
C       -0.163500     -1.548600      1.260000
C       -0.163500     -1.548600     -1.260000
C       -0.837400     -2.098600      0.000000
C       -0.163500     -0.015000     -1.260600
C       -0.163500     -0.015000      1.260600
H        0.872200     -1.913000      1.305500
H        0.872200     -1.913000     -1.305500
H       -1.896500     -1.806700      0.000000
H       -1.195700      0.357500     -1.289200
H       -1.195700      0.357500      1.289200
H        1.566100      0.230300      0.000000
H       -0.669600     -1.916800      2.159500
H       -0.669600     -1.916800     -2.159500
H       -0.805700     -3.194100      0.000000
H        0.349400      0.375800     -2.145600
H        0.349400      0.375800      2.145600
Cl       0.489800      2.308600      0.000000

18
ax MP2/6-311+G**
C       -0.018700     -1.080500      0.000000
C        0.604600      1.033800      1.262000
C        0.604600      1.033800     -1.262000
C        1.279000      1.580500      0.000000
C        0.604600     -0.496800     -1.264600
C        0.604600     -0.496800      1.264600
H       -0.427600      1.399900      1.311400
H       -0.427600      1.399900     -1.311400
H        2.339200      1.289100      0.000000
H        1.642300     -0.858600     -1.306900
H        1.642300     -0.858600      1.306900
H        1.117700      1.398900      2.158800
H        1.117700      1.398900     -2.158800
H        1.249000      2.676000      0.000000
H        0.085900     -0.888200     -2.145600
H        0.085900     -0.888200      2.145600
H        0.080500     -2.168800      0.000000
Cl      -1.798700     -0.784900      0.000000
