%nprocshared=32
%mem=120GB
#p opt=(TS,Cartes,CalcFC,NoEigenTest) 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        2.306170000      0.983143000      1.606144000
6       -1.221697000      2.238974000      1.539618000
6       -2.424640000     -1.237086000      0.831295000
6        1.097589000     -2.451617000      0.853727000
8       -1.060987711      1.526486000      2.577740000
8       -0.870490000      1.935442000      0.350433000
8       -2.007355000     -1.181469000      2.026800000
8       -1.828780000     -0.769742000     -0.196146000
8        0.727512000     -2.161063000      2.030042000
8        0.961269000     -1.714310000     -0.181702000
8        1.692697000      0.551101711      2.623134000
8        1.893090000      0.927311000      0.395555000
45       0.024491000      0.113585000      0.012631000
45      -0.168515000     -0.327971000      2.393847000
6        0.140937000      0.475979000     -2.204415000
6       -0.905071000     -0.413070000     -2.760800000
8       -2.010381000     -0.027858000     -3.082896000
8       -0.539306000     -1.722210000     -2.753874000
6       -1.594916000     -2.670317000     -2.863576000
1       -2.538214000     -2.253193000     -2.509007000
1       -1.707421000     -3.005127000     -3.898925000
1        1.195818000     -0.143638000     -1.988885000
6        1.945796000     -0.476906000     -2.964264000
1        2.762211000      0.216554000     -2.769400000
1        2.094073000     -1.492338000     -2.601049000
1        1.566643000     -0.425785000     -3.977702000
6        3.641669000      1.653886000      1.819056000
1        4.004995289      1.476532711      2.830443000
1        4.363695000      1.290864000      1.085369711
1        3.522751000      2.732057000      1.663249289
6        1.787339000     -3.776162000      0.636018000
1        1.627158711     -4.437279000      1.488013000
1        1.420247000     -4.236173000     -0.282903000
1        2.862801000     -3.599798000      0.522636000
6       -3.731200000     -1.947407000      0.576436000
1       -3.505760000     -2.966585000      0.245783000
1       -4.326631000     -1.996136000      1.488976000
1       -4.286208000     -1.442325000     -0.217155000
6       -1.912896156      3.570211422      1.704404289
1       -2.923098490      3.498351932      1.266881470
1       -1.991305865      3.838383068      2.764758977
1       -1.362862713      4.344074533      1.146643020
6        0.321401000      1.847669000     -2.725482000
6        1.209653000      2.720425000     -2.066193000
6       -0.373507711      2.318190000     -3.854998289
6        1.403702000      4.016589000     -2.527034000
6       -0.194297711      3.623420000     -4.303032289
6        0.697462000      4.472081000     -3.644107000
1        1.737251711      2.371197289     -1.186936711
1       -1.073691711      1.672742000     -4.368583289
1        2.087662711      4.681164289     -2.012015711
1       -0.744744711      3.984984711     -5.165670289
6        0.946557000      5.859091000     -4.168214000
9        1.233806000      6.730954000     -3.172870289
9        1.998988000      5.883258000     -5.023610000
9       -0.117113000      6.347633000     -4.841483289
6       -1.229722000     -3.871495000     -2.014182000
9       -0.010061000     -4.359576000     -2.326047000
9       -1.231706000     -3.601893000     -0.693567000
9       -2.136948000     -4.849150000     -2.229740000

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

Rh
LANL2DZ






