%nprocshared=32
%mem=120GB
#p opt=(CalcFC) 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        2.329935000      1.124130000      1.518024000
6       -1.181839000      2.369401000      1.481563290
6       -2.433640000     -1.125236000      1.180552000
6        1.099188000     -2.381365710      1.228624000
8       -0.999683000      1.772090000      2.585818290
8       -0.872314000      1.933809000      0.322383290
8       -1.962101000     -0.967505000      2.346071000
8       -1.863252000     -0.811333000      0.081814000
8        0.804188000     -1.944723000      2.377338000
8        0.900321000     -1.781738710      0.114846000
8        1.761804000      0.815651000      2.607304000
8        1.865253000      0.943459000      0.337951710
45       0.003629000      0.076492000      0.135100420
45      -0.103654000     -0.085713000      2.570150000
6        0.037722777      0.303963352     -1.900009456
6       -1.214692161     -0.013725000     -2.629346839
8       -2.007432580      0.884640580     -2.848960710
8       -1.426964000     -1.313428420     -2.858679710
6       -2.787488000     -1.675529000     -3.215546580
1       -3.456753290     -1.261645000     -2.453945580
1       -3.037089420     -1.221363290     -4.177880580
1        0.594536679      1.136242420     -2.338014580
1        0.909030093     -0.790794933     -2.105480668
6        1.514862803     -1.133022803     -3.005050031
1        2.540731964     -0.886504093     -2.729061223
1        1.301865575     -2.204126254     -2.999201995
1        1.202359611     -0.655797161     -3.927516839
6       -2.847293710     -3.187658000     -3.261321000
1       -2.579895000     -3.613285710     -2.291215000
1       -3.862674710     -3.509506000     -3.513832000
1       -2.162536710     -3.584027000     -4.017603000
6        3.698881000      1.758948000      1.594883000
1        3.970551000      1.966780000      2.630134000
1        4.434787000      1.079597000      1.152405000
1        3.708611000      2.682707000      1.009591000
6        1.724487000     -3.753171710      1.135871000
1        2.066703000     -4.087170710      2.115857000
1        0.976005000     -4.457883710      0.755007710
1        2.555983000     -3.738382710      0.424135710
6       -3.808331000     -1.739225000      1.053722000
1       -3.760035000     -2.612379000      0.396520000
1       -4.195504000     -2.028797000      2.030959000
1       -4.482760000     -1.012633000      0.589627000
6       -1.821666000      3.736877000      1.517100000
1       -2.700780000      3.744877000      0.866445000
1       -2.104629000      4.005831290      2.535822000
1       -1.115491000      4.474852000      1.123757000

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

Rh
LANL2DZ






