18
eq HF/6-31G*
C        0.575700      0.917500      0.000000
C       -0.080500     -1.152100      1.265000
C       -0.080500     -1.152100     -1.265000
C       -0.736600     -1.715300      0.000000
C       -0.080500      0.380600     -1.259900
C       -0.080500      0.380600      1.259900
H        0.944200     -1.514500      1.330200
H        0.944200     -1.514500     -1.330200
H       -1.794700     -1.459800      0.000000
H       -1.101200      0.753700     -1.296600
H       -1.101200      0.753700      1.296600
H        1.633900      0.676000      0.000000
H       -0.592600     -1.516200      2.150200
H       -0.592600     -1.516200     -2.150200
H       -0.677500     -2.799900      0.000000
H        0.433700      0.772500     -2.131800
H        0.433700      0.772500      2.131800
F        0.485500      2.293000      0.000000

18
ax HF/6-31G*
C       -0.344500     -1.186500      0.000000
C        0.283200      0.907800      1.264600
C        0.283200      0.907800     -1.264600
C        0.943800      1.465600      0.000000
C        0.283200     -0.624000     -1.265600
C        0.283200     -0.624000      1.265600
H       -0.742000      1.261400      1.323000
H       -0.742000      1.261400     -1.323000
H        2.001700      1.205300      0.000000
H        1.303700     -0.995700     -1.333800
H        1.303700     -0.995700      1.333800
H        0.793900      1.274700      2.150200
H        0.793900      1.274700     -2.150200
H        0.891500      2.550600      0.000000
H       -0.254800     -1.006700     -2.127200
H       -0.254800     -1.006700      2.127200
H       -0.302700     -2.269200      0.000000
F       -1.687300     -0.848200      0.000000

18
eq B3LYP/6-31G*
C        0.576700      0.919700      0.000000
C       -0.081400     -1.159500      1.269600
C       -0.081400     -1.159500     -1.269600
C       -0.737800     -1.725400      0.000000
C       -0.081400      0.378700     -1.264500
C       -0.081400      0.378700      1.264500
H        0.954400     -1.524100      1.334900
H        0.954400     -1.524100     -1.334900
H       -1.806900     -1.467200      0.000000
H       -1.113600      0.754100     -1.297500
H       -1.113600      0.754100      1.297500
H        1.647800      0.668700      0.000000
H       -0.595700     -1.528600      2.165100
H       -0.595700     -1.528600     -2.165100
H       -0.680200     -2.821100      0.000000
H        0.433700      0.777100     -2.146700
H        0.433700      0.777100      2.146700
F        0.489200      2.318500      0.000000

18
ax B3LYP/6-31G*
C       -0.345600     -1.191200      0.000000
C        0.288300      0.907700      1.269100
C        0.288300      0.907700     -1.269100
C        0.950000      1.468300      0.000000
C        0.288300     -0.629300     -1.270800
C        0.288300     -0.629300      1.270800
H       -0.750200      1.258400      1.322600
H       -0.750200      1.258400     -1.322600
H        2.018700      1.204600      0.000000
H        1.318900     -1.006700     -1.335600
H        1.318900     -1.006700      1.335600
H        0.797000      1.282300      2.165800
H        0.797000      1.282300     -2.165800
H        0.899800      2.564400      0.000000
H       -0.251200     -1.018300     -2.142600
H       -0.251200     -1.018300      2.142600
H       -0.310700     -2.288500      0.000000
F       -1.709200     -0.835100      0.000000

18
eq B3LYP-D3/6-31G*
C       -1.032900      0.000000      0.330000
C        1.142500     -1.268300      0.212900
C        1.142500      1.268300      0.212900
C        1.852400      0.000000     -0.287700
C       -0.345700      1.263500     -0.174800
C       -0.345700     -1.263500     -0.174800
H        1.233300     -1.324400      1.307800
H        1.233300      1.324400      1.307800
H        1.857300      0.000000     -1.387500
H       -0.449100      1.289600     -1.268300
H       -0.449100     -1.289600     -1.268300
H       -1.051700      0.000000      1.430500
H        1.629700     -2.165900     -0.186400
H        1.629700      2.165900     -0.186400
H        2.901500      0.000000      0.033000
H       -0.863200      2.145600      0.220100
H       -0.863200     -2.145600      0.220100
F       -2.365300      0.000000     -0.103700

18
ax B3LYP-D3/6-31G*
C        1.175000      0.000000      0.396500
C       -0.903600     -1.267600     -0.283800
C       -0.903600      1.267500     -0.283800
C       -1.742800     -0.000000     -0.057100
C        0.352300      1.269900      0.601800
C        0.352300     -1.269900      0.601900
H       -0.588700     -1.310500     -1.334100
H       -0.588700      1.310400     -1.334100
H       -2.129500      0.000000      0.973500
H        0.067400      1.327300      1.661900
H        0.067400     -1.327200      1.662000
H       -1.501200     -2.166600     -0.090300
H       -1.501200      2.166600     -0.090300
H       -2.616800     -0.000000     -0.720400
H        0.980500      2.142200      0.386600
H        0.980500     -2.142200      0.386600
H        2.062700      0.000000      1.043000
F        1.643400     -0.000000     -0.933000

18
eq wB97x-D/6-31G*
C       -1.031100      0.000000      0.325100
C        1.137400     -1.263900      0.213400
C        1.137400      1.263900      0.213400
C        1.847300      0.000000     -0.282800
C       -0.344300      1.259700     -0.179500
C       -0.344300     -1.259700     -0.179500
H        1.223900     -1.320500      1.307700
H        1.223900      1.320500      1.307700
H        1.857500      0.000000     -1.381700
H       -0.441600      1.286600     -1.272800
H       -0.441600     -1.286600     -1.272800
H       -1.044000      0.000000      1.424600
H        1.625300     -2.159800     -0.185500
H        1.625300      2.159800     -0.185500
H        2.893200      0.000000      0.044200
H       -0.859500      2.142100      0.214900
H       -0.859500     -2.142100      0.214900
F       -2.357500      0.000000     -0.097300

18
ax wB97x-D/6-31G*
C        1.172100      0.000000      0.393400
C       -0.906800     -1.263700     -0.285000
C       -0.906800      1.263700     -0.285000
C       -1.742300      0.000000     -0.056600
C        0.348100      1.265600      0.593600
C        0.348100     -1.265600      0.593600
H       -0.601000     -1.311600     -1.337000
H       -0.601000      1.311600     -1.337000
H       -2.125700      0.000000      0.974300
H        0.063500      1.322400      1.653000
H        0.063500     -1.322400      1.653000
H       -1.503700     -2.160100     -0.083600
H       -1.503700      2.160100     -0.083600
H       -2.616100      0.000000     -0.718000
H        0.973400      2.138800      0.378800
H        0.973400     -2.138800      0.378800
H        2.046900      0.000000      1.055000
F        1.661800      0.000000     -0.917500

18
eq M06-2X/6-31G*
C        0.582300      0.909700      0.000000
C       -0.085200     -1.152800      1.262000
C       -0.085200     -1.152800     -1.262000
C       -0.753600     -1.706100      0.000000
C       -0.085200      0.379000     -1.257600
C       -0.085200      0.379000      1.257600
H        0.950900     -1.516000      1.308900
H        0.950900     -1.516000     -1.308900
H       -1.814300     -1.420200      0.000000
H       -1.116800      0.754700     -1.275100
H       -1.116800      0.754700      1.275100
H        1.647700      0.635900      0.000000
H       -0.589100     -1.524700      2.159800
H       -0.589100     -1.524700     -2.159800
H       -0.718500     -2.800700      0.000000
H        0.423600      0.780800     -2.139900
H        0.423600      0.780800      2.139900
F        0.513300      2.295600      0.000000

18
ax M06-2X/6-31G*
C       -0.362500     -1.181400      0.000000
C        0.287000      0.894200      1.261300
C        0.287000      0.894200     -1.261300
C        0.961200      1.441000      0.000000
C        0.287000     -0.636900     -1.264600
C        0.287000     -0.636900      1.264600
H       -0.751500      1.244100      1.297400
H       -0.751500      1.244100     -1.297400
H        2.021000      1.147900      0.000000
H        1.316700     -1.014200     -1.314800
H        1.316700     -1.014200      1.314800
H        0.785800      1.271100      2.160200
H        0.785800      1.271100     -2.160200
H        0.935300      2.535900      0.000000
H       -0.247500     -1.025700     -2.137600
H       -0.247500     -1.025700      2.137600
H       -0.361300     -2.278000      0.000000
F       -1.697900     -0.778000      0.000000

18
eq wB97x-V/6-31G*
C        0.339121     -0.000000     -1.406249
C        0.190110      1.265479      0.762178
C        0.190110     -1.265479      0.762178
C       -0.323155      0.000000      1.463544
C       -0.179901     -1.260830     -0.728176
C       -0.179901      1.260830     -0.728177
H        1.285380      1.318293      0.866625
H        1.285379     -1.318293      0.866625
H       -1.424283     -0.000000      1.449934
H       -1.273734     -1.282584     -0.844953
H       -1.273734      1.282584     -0.844953
H        1.440973      0.000000     -1.405762
H       -0.214621      2.164418      1.245105
H       -0.214621     -2.164418      1.245105
H       -0.018019      0.000000      2.518550
H        0.220815     -2.145045     -1.240517
H        0.220815      2.145045     -1.240517
F       -0.070734     -0.000000     -2.740539

18
ax wB97x-V/6-31G*
C        0.331290     -0.000000      1.422706
C       -0.463920      1.265289     -0.608754
C       -0.463920     -1.265289     -0.608754
C       -0.283045     -0.000000     -1.458804
C        0.493871     -1.267653      0.589993
C        0.493872      1.267653      0.589993
H       -1.495998      1.307616     -0.233763
H       -1.495998     -1.307616     -0.233763
H        0.726370     -0.000000     -1.901377
H        1.536630     -1.321779      0.241918
H        1.536630      1.321780      0.241919
H       -0.304796      2.165011     -1.217765
H       -0.304797     -2.165011     -1.217765
H       -0.995081     -0.000000     -2.295145
H        0.317037     -2.142267      1.229448
H        0.317037      2.142267      1.229449
H        1.022722     -0.000000      2.277168
F       -0.967903     -0.000000      1.953295

18
eq MP2/6-31G*
C       -0.580800     -0.904100      0.000000
C        0.082600      1.154800      1.260900
C        0.082600      1.154800     -1.260900
C        0.747900      1.709100      0.000000
C        0.082600     -0.375900     -1.256300
C        0.082600     -0.375900      1.256300
H       -0.952400      1.519400      1.313200
H       -0.952400      1.519400     -1.313200
H        1.810300      1.430600      0.000000
H        1.112700     -0.753400     -1.276000
H        1.112700     -0.753400      1.276000
H       -1.649700     -0.649400      0.000000
H        0.589300      1.525600      2.158900
H        0.589300      1.525600     -2.158900
H        0.708000      2.804700      0.000000
H       -0.428200     -0.779000     -2.137700
H       -0.428200     -0.779000      2.137700
F       -0.499500     -2.309700      0.000000

18
ax MP2/6-31G*
C       -0.350100     -1.182400      0.000000
C        0.287800      0.894300      1.261200
C        0.287800      0.894300     -1.261200
C        0.957200      1.442000      0.000000
C        0.287800     -0.634800     -1.264300
C        0.287800     -0.634800      1.264300
H       -0.748800      1.246500      1.306000
H       -0.748800      1.246500     -1.306000
H        2.019000      1.157700      0.000000
H        1.317100     -1.012900     -1.324400
H        1.317100     -1.012900      1.324400
H        0.792800      1.269700      2.158600
H        0.792800      1.269700     -2.158600
H        0.925600      2.537900      0.000000
H       -0.252600     -1.024700     -2.134000
H       -0.252600     -1.024700      2.134000
H       -0.350400     -2.279400      0.000000
F       -1.706800     -0.782700      0.000000

18
eq HF/6-311+G**
C       -0.573100      0.914500      0.000000
C        0.082500     -1.151000     -1.264300
C        0.082500     -1.151000      1.264300
C        0.737200     -1.714600      0.000000
C        0.082500      0.381400      1.260400
C        0.082500      0.381400     -1.260400
H       -0.942900     -1.513600     -1.331300
H       -0.942900     -1.513600      1.331300
H        1.796500     -1.460800      0.000000
H        1.104000      0.754400      1.299800
H        1.104000      0.754400     -1.299800
H       -1.632400      0.673800      0.000000
H        0.595800     -1.514100     -2.149800
H        0.595800     -1.514100      2.149800
H        0.676300     -2.799600      0.000000
H       -0.435100      0.771200      2.131700
H       -0.435100      0.771200     -2.131700
F       -0.494300      2.291800      0.000000

18
ax HF/6-311+G**
C        0.332500     -1.187900      0.000000
C       -0.280200      0.919100     -1.263200
C       -0.280200      0.919100      1.263200
C       -0.942000      1.475900      0.000000
C       -0.280200     -0.612300      1.266200
C       -0.280200     -0.612300     -1.266200
H        0.745000      1.276200     -1.321300
H        0.745000      1.276200      1.321300
H       -2.000500      1.214300      0.000000
H       -1.302100     -0.982100      1.338400
H       -1.302100     -0.982100     -1.338400
H       -0.790800      1.284600     -2.149900
H       -0.790800      1.284600      2.149900
H       -0.890500      2.561400      0.000000
H        0.259300     -0.996600      2.126600
H        0.259300     -0.996600     -2.126600
H        0.260800     -2.269400      0.000000
F        1.687600     -0.897800      0.000000

18
eq B3LYP/6-311+G**
C        0.573600      0.911800      0.000000
C       -0.082900     -1.159800      1.268500
C       -0.082900     -1.159800     -1.268500
C       -0.737700     -1.726000      0.000000
C       -0.082900      0.378600     -1.264700
C       -0.082900      0.378600      1.264700
H        0.950100     -1.524500      1.336800
H        0.950100     -1.524500     -1.336800
H       -1.805300     -1.471800      0.000000
H       -1.112600      0.753100     -1.301600
H       -1.112600      0.753100      1.301600
H        1.644500      0.676300      0.000000
H       -0.598100     -1.525600      2.161600
H       -0.598100     -1.525600     -2.161600
H       -0.676900     -2.818900      0.000000
H        0.436600      0.772700     -2.142700
H        0.436600      0.772700      2.142700
F        0.495600      2.324800      0.000000

18
ax B3LYP/6-311+G**
C       -0.322100     -1.193900      0.000000
C        0.284300      0.923800      1.267300
C        0.284300      0.923800     -1.267300
C        0.947600      1.482600      0.000000
C        0.284300     -0.612300     -1.271600
C        0.284300     -0.612300      1.271600
H       -0.749300      1.281600      1.324400
H       -0.749300      1.281600     -1.324400
H        2.013900      1.218700      0.000000
H        1.313700     -0.985400     -1.348300
H        1.313700     -0.985400      1.348300
H        0.794900      1.294100      2.161700
H        0.794900      1.294100     -2.161700
H        0.898200      2.576100      0.000000
H       -0.259600     -1.002200     -2.136900
H       -0.259600     -1.002200      2.136900
H       -0.252700     -2.285600      0.000000
F       -1.715100     -0.906200      0.000000

18
eq B3LYP-D3/6-311+G**
C       -1.024700      0.000000      0.328000
C        1.142900     -1.267200      0.212700
C        1.142900      1.267200      0.212700
C        1.853300      0.000000     -0.285500
C       -0.345000      1.263600     -0.176900
C       -0.345000     -1.263600     -0.176900
H        1.233100     -1.326100      1.305000
H        1.233100      1.326100      1.305000
H        1.862700      0.000000     -1.382900
H       -0.446700      1.293100     -1.267900
H       -0.446700     -1.293100     -1.267900
H       -1.058900      0.000000      1.424400
H        1.627600     -2.162300     -0.187600
H        1.627600      2.162300     -0.187600
H        2.898600      0.000000      0.038500
H       -0.860000      2.141700      0.222400
H       -0.860000     -2.141700      0.222400
F       -2.373000      0.000000     -0.101000

18
ax B3LYP-D3/6-311+G**
C        1.166800      0.000000      0.409700
C       -0.915700     -1.265700     -0.290100
C       -0.915700      1.265600     -0.290100
C       -1.753100      0.000000     -0.055900
C        0.344600      1.270700      0.587600
C        0.344600     -1.270600      0.587700
H       -0.615400     -1.311600     -1.342300
H       -0.615400      1.311600     -1.342300
H       -2.131500      0.000000      0.975400
H        0.062900      1.338700      1.646100
H        0.062900     -1.338700      1.646100
H       -1.509500     -2.162600     -0.089700
H       -1.509500      2.162600     -0.089700
H       -2.629400     -0.000000     -0.711400
H        0.974700      2.136600      0.366000
H        0.974700     -2.136600      0.366100
H        2.035900      0.000000      1.074700
F        1.696800     -0.000000     -0.910300

18
eq wB97x-D/6-311+G**
C        0.575700      0.905900      0.000000
C       -0.086700     -1.153500      1.262400
C       -0.086700     -1.153500     -1.262400
C       -0.746900     -1.712200      0.000000
C       -0.086700      0.378700     -1.259400
C       -0.086700      0.378700      1.259400
H        0.947000     -1.517500      1.321000
H        0.947000     -1.517500     -1.321000
H       -1.810600     -1.442600      0.000000
H       -1.116900      0.752500     -1.288600
H       -1.116900      0.752500      1.288600
H        1.642100      0.648100      0.000000
H       -0.597100     -1.520800      2.156800
H       -0.597100     -1.520800     -2.156800
H       -0.698100     -2.805000      0.000000
H        0.429500      0.772800     -2.138700
H        0.429500      0.772800      2.138700
F        0.516600      2.306700      0.000000

18
ax wB97x-D/6-311+G**
C       -0.331200     -1.187500      0.000000
C        0.283200      0.918300      1.261300
C        0.283200      0.918300     -1.261300
C        0.951500      1.469600      0.000000
C        0.283200     -0.612100     -1.265900
C        0.283200     -0.612100      1.265900
H       -0.750700      1.276100      1.309800
H       -0.750700      1.276100     -1.309800
H        2.013800      1.191000      0.000000
H        1.313400     -0.984100     -1.331500
H        1.313400     -0.984100      1.331500
H        0.789700      1.289200      2.156900
H        0.789700      1.289200     -2.156900
H        0.913200      2.562800      0.000000
H       -0.254600     -1.002400     -2.134100
H       -0.254600     -1.002400      2.134100
H       -0.265300     -2.279500      0.000000
F       -1.708400     -0.888800      0.000000

18
eq M06-2X/6-311+G**
C        0.580600      0.902500      0.000000
C       -0.087200     -1.152500      1.261400
C       -0.087200     -1.152500     -1.261400
C       -0.755800     -1.705200      0.000000
C       -0.087200      0.379800     -1.257900
C       -0.087200      0.379800      1.257900
H        0.946400     -1.515800      1.310000
H        0.946400     -1.515800     -1.310000
H       -1.814700     -1.420800      0.000000
H       -1.116600      0.755000     -1.277900
H       -1.116600      0.755000      1.277900
H        1.644800      0.637800      0.000000
H       -0.592000     -1.521300      2.157000
H       -0.592000     -1.521300     -2.157000
H       -0.719200     -2.797500      0.000000
H        0.425700      0.777900     -2.136600
H        0.425700      0.777900      2.136600
F        0.522800      2.297500      0.000000

18
ax M06-2X/6-311+G**
C       -0.345800     -1.183800      0.000000
C        0.283900      0.906700      1.259500
C        0.283900      0.906700     -1.259500
C        0.962400      1.451000      0.000000
C        0.283900     -0.624100     -1.265400
C        0.283900     -0.624100      1.265400
H       -0.751000      1.261600      1.294400
H       -0.751000      1.261600     -1.294400
H        2.019200      1.155400      0.000000
H        1.312500     -0.998400     -1.323600
H        1.312500     -0.998400      1.323600
H        0.782000      1.280400      2.157400
H        0.782000      1.280400     -2.157400
H        0.938400      2.543600      0.000000
H       -0.254500     -1.013400     -2.132900
H       -0.254500     -1.013400      2.132900
H       -0.317700     -2.276700      0.000000
F       -1.703500     -0.830800      0.000000

18
eq wB97x-V/6-311+G**
C        0.337642      0.000000     -1.397847
C        0.189636      1.263956      0.761843
C        0.189635     -1.263957      0.761843
C       -0.322284      0.000000      1.462680
C       -0.181755     -1.260967     -0.727531
C       -0.181755      1.260967     -0.727531
H        1.283312      1.318605      0.865779
H        1.283311     -1.318605      0.865780
H       -1.421929      0.000000      1.451101
H       -1.274077     -1.286044     -0.843099
H       -1.274077      1.286044     -0.843098
H        1.436846      0.000000     -1.409566
H       -0.215126      2.161446      1.243021
H       -0.215127     -2.161446      1.243022
H       -0.016199     -0.000000      2.515532
H        0.223024     -2.141978     -1.237931
H        0.223023      2.141978     -1.237931
F       -0.064100      0.000000     -2.746066

18
ax wB97x-V/6-311+G**
C        0.345093     -0.000000      1.421478
C       -0.467589      1.262467     -0.613623
C       -0.467589     -1.262467     -0.613623
C       -0.276130      0.000000     -1.461956
C        0.481200     -1.268369      0.590618
C        0.481200      1.268369      0.590618
H       -1.503419      1.304411     -0.252795
H       -1.503419     -1.304410     -0.252794
H        0.736544     -0.000000     -1.893446
H        1.523733     -1.332664      0.246997
H        1.523733      1.332664      0.246998
H       -0.303386      2.161746     -1.218762
H       -0.303387     -2.161746     -1.218762
H       -0.978148      0.000000     -2.304185
H        0.297761     -2.137420      1.232502
H        0.297761      2.137420      1.232503
H        1.055609     -0.000000      2.256418
F       -0.939567     -0.000000      2.011814

18
eq MP2/6-311+G**
C        0.581400      0.900700      0.000000
C       -0.088300     -1.154500      1.261200
C       -0.088300     -1.154500     -1.261200
C       -0.760600     -1.705700      0.000000
C       -0.088300      0.379400     -1.257500
C       -0.088300      0.379400      1.257500
H        0.947100     -1.519200      1.307700
H        0.947100     -1.519200     -1.307700
H       -1.820300     -1.416300      0.000000
H       -1.119700      0.754100     -1.277500
H       -1.119700      0.754100      1.277500
H        1.645800      0.631400      0.000000
H       -0.594500     -1.523000      2.160000
H       -0.594500     -1.523000     -2.160000
H       -0.726300     -2.801100      0.000000
H        0.426000      0.777300     -2.138700
H        0.426000      0.777300      2.138700
F        0.530900      2.304300      0.000000

18
ax MP2/6-311+G*
C        0.342600     -1.185200      0.000000
C       -0.283900      0.910200     -1.260400
C       -0.283900      0.910200      1.260400
C       -0.963900      1.453500      0.000000
C       -0.283900     -0.621600      1.265300
C       -0.283900     -0.621600     -1.265300
H        0.751200      1.269700     -1.297000
H        0.751200      1.269700      1.297000
H       -2.022000      1.154800      0.000000
H       -1.315500     -0.994400      1.323800
H       -1.315500     -0.994400     -1.323800
H       -0.786800      1.282200     -2.159900
H       -0.786800      1.282200      2.159900
H       -0.940700      2.549200      0.000000
H        0.255700     -1.012300      2.134600
H        0.255700     -1.012300     -2.134600
H        0.304500     -2.279900      0.000000
F        1.710000     -0.842900      0.000000
