%nprocshared=32
%mem=120GB
#p opt SCRFDef=AsymmetricIEFPCM freq=noraman b3lyp EmpiricalDispersion=GD3 gen pseudo=read scrf=(SMD,solvent=n-hexane) scf=xqc nosymm

B3LYP_aph_sty_180L3

0 1
6        2.315673000      1.189777000      1.478502000
6       -1.209920000      2.375983000      1.542412000
6       -2.412486000     -1.140981000      1.242675000
6        1.129332000     -2.340891000      1.255320000
8       -0.998079000      1.780691000      2.640069000
8       -0.917752000      1.943836000      0.375768000
8       -1.921788000     -0.976364000      2.397732000
8       -1.869457000     -0.815366000      0.131241000
8        0.856887000     -1.900732000      2.408607000
8        0.895536000     -1.747421000      0.144886000
8        1.778252000      0.874430000      2.580176000
8        1.827682000      0.998716000      0.310356000
45      -0.017483000      0.098084000      0.152244000
45      -0.073072000     -0.059881000      2.595350000
6       -0.007770000      0.297976000     -1.837577000
6       -0.839510916     -0.628065441     -2.639679934
8       -1.980723278     -0.289108151     -2.900765447
8       -0.295945265     -1.814568922     -2.905533791
6       -1.196677783     -2.819401664     -3.443888621
1       -2.049666649     -2.910857183     -2.765338045
1       -1.567753910     -2.479680556     -4.416477875
6        3.676407000      1.844046000      1.519608000
1        3.954857000      2.088460000      2.545027000
1        4.415587000      1.157227000      1.094247000
1        3.670712000      2.746786000      0.902809000
6        1.772185000     -3.702417000      1.146238000
1        2.127562000     -4.038222000      2.120881000
1        1.030895000     -4.414147000      0.767244000
1        2.596886000     -3.668699000      0.429811000
6       -3.782001000     -1.769390000      1.137773000
1       -3.762966000     -2.574651000      0.398325000
1       -4.107248000     -2.151851000      2.105619000
1       -4.492088000     -1.013410000      0.786454000
6       -1.862940000      3.736263000      1.589047000
1       -2.739959000      3.742794000      0.935894000
1       -2.149611000      3.990630000      2.609811000
1       -1.161360000      4.483549000      1.204996000
6        0.143633954      1.699469610     -2.457651595
6        0.752668786      2.744172239     -1.742106795
6       -0.323335095      1.969820405     -3.755026531
6        0.889848903      4.012766477     -2.303065099
6       -0.186444136      3.238206548     -4.316525775
6        0.420880971      4.265848578     -3.593116207
1        1.120914484      2.558131401     -0.737991105
1       -0.797250464      1.177713940     -4.326372290
1        1.364148198      4.805046841     -1.730929555
1       -0.555097749      3.423851433     -5.321333004
6        0.572284925      5.667342188     -4.213190801
9        0.737284091      6.613092543     -3.263562015
9        1.640938745      5.731180922     -5.036214244
9       -0.515503733      6.007959324     -4.937178993
6       -0.465164658     -4.166174751     -3.594523278
9        0.871888599     -4.018676039     -3.476218565
9       -0.858424050     -5.050596769     -2.652924264
9       -0.704214778     -4.726739634     -4.799548237

F C O H 0
6-31G(d,p)
****
Rh 0
LANL2DZ
F 1 1.000
1.350 1.000
****

Rh
LANL2DZ






