%nprocshared=32
%mem=120GB
#p 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              2.526688    0.097629    0.926491
 6             -0.236071    2.466307    1.751070
 6             -2.735821   -0.241946    1.140289
 6              0.046753   -2.626616    0.387484
 8             -0.091860    1.625020    2.687340
 8             -0.325302    2.200701    0.504997
 8             -2.097277   -0.464400    2.210143
 8             -2.226968    0.068800    0.007018
 8              0.061016   -2.358303    1.625238
 8             -0.052987   -1.781228   -0.563698
 8              2.031863   -0.270947    2.037113
 8              1.874109    0.406379   -0.124710
45             -0.174473    0.239688   -0.126851
45             -0.019144   -0.381922    2.217437
 6             -0.214381    0.721701   -2.314131
 6              0.129696   -0.569200   -2.976581
 8             -0.641966   -1.355734   -3.481967
 8              1.461363   -0.796881   -2.846176
 6              1.893905   -2.138486   -3.045455
 1              1.111261   -2.847144   -2.773276
 1              2.193862   -2.300135   -4.085000
 1             -1.435714    0.749858   -2.126038
 6             -2.209665    0.924149   -3.127634
 1             -2.842440    0.064540   -2.919525
 1             -2.613409    1.887711   -2.821614
 1             -1.800466    0.919405   -4.129593
 6              4.028363    0.207618    0.826792
 1              4.507565   -0.293921    1.668362
 1              4.363496   -0.221604   -0.118993
 1              4.306220    1.267050    0.834015
 6              0.191516   -4.073319   -0.018138
 1             -0.091019   -4.732790    0.803542
 1             -0.416187   -4.281240   -0.901764
 1              1.241789   -4.253875   -0.269558
 6             -4.240490   -0.362880    1.176762
 1             -4.694118    0.532488    0.741645
 1             -4.543445   -1.218724    0.564107
 1             -4.592508   -0.504534    2.199151
 6             -0.328330    3.927077    2.121517
 1             -1.344532    4.283498    1.918648
 1             -0.096988    4.074367    3.177202
 1              0.357722    4.506580    1.496992
 6              0.384434    2.007632   -2.727879
 6             -0.139176    3.215957   -2.226940
 6              1.487303    2.066997   -3.600344
 6              0.416362    4.436935   -2.584668
 6              2.060370    3.289579   -3.937019
 6              1.522077    4.476459   -3.438411
 1             -0.968911    3.189827   -1.533488
 1              1.916229    1.157100   -3.998339
 1             -0.001947    5.359878   -2.198600
 1              2.913949    3.321970   -4.605193
 6              3.102609   -2.363972   -2.158442
 9              2.801053   -2.337959   -0.844575
 9              3.617702   -3.583855   -2.431413
 9              4.066995   -1.446447   -2.370884
 6              2.171602    5.789237   -3.774597
 9              1.300112    6.821593   -3.698329
 9              3.191567    6.074275   -2.928883
 9              2.691455    5.788806   -5.024005

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

Rh
LANL2DZ






