%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        2.438208000      0.408389000      1.560201000
6       -0.679456000      2.488143000      1.448562000
6       -2.702389000     -0.587242000      0.878886000
6        0.399546000     -2.653513000      0.979313000
8       -0.680073000      1.807706000      2.520786000
8       -0.431990000      2.051764000      0.276360000
8       -2.275977000     -0.594291000      2.074593000
8       -2.015784000     -0.343063000     -0.168123000
8        0.139250000     -2.224029000      2.143347000
8        0.430149000     -1.963098000     -0.094488000
8        1.748031000      0.183666000      2.595480000
8        2.010826000      0.408033000      0.353040000
45      -0.003680000      0.056512000      0.008875943
45      -0.279789000     -0.213348000      2.413499000
6        0.234780859      0.371419570     -2.179052031
6       -0.740641057     -0.514190000     -2.865569000
8       -1.846143114     -0.098575000     -3.170424000
8       -0.347983943     -1.795282886     -2.990741000
6       -1.388835000     -2.759936000     -3.311965000
1       -2.045893000     -2.334925000     -4.075602000
1       -0.845003943     -3.605986943     -3.737489000
1        1.370707509     -0.340670255     -2.014000536
6        2.137802855     -0.611823513     -2.798845886
1        2.943365198      0.086643487     -2.567675627
1        2.318849996     -1.638655798     -2.476634084
1        1.796654544     -0.546809772     -3.825640487
6       -2.162483000     -3.148358000     -2.063201000
1       -2.664383000     -2.272823000     -1.647539000
1       -2.907481943     -3.909977000     -2.313566057
1       -1.483799000     -3.545325000     -1.304154000
6        3.899979000      0.738365000      1.744694000
1        4.234934000      0.459032000      2.744185000
1        4.499105000      0.230665000      0.984853000
1        4.035858000      1.817505000      1.611897000
6        0.672219000     -4.133360000      0.842306000
1        1.332574000     -4.465800000      1.646872000
1       -0.273780000     -4.675989000      0.945533000
1        1.110722000     -4.361241000     -0.130041000
6       -4.154726000     -0.935028000      0.657626000
1       -4.233262000     -2.016234000      0.495926000
1       -4.747031000     -0.674960000      1.536566000
1       -4.535282000     -0.427450000     -0.230441000
6       -1.032070000      3.952426000      1.550888000
1       -2.101634000      4.068431000      1.342839000
1       -0.829524000      4.326670000      2.555629000
1       -0.479452000      4.525370000      0.803418000
6        0.528400886      1.726627943     -2.682700943
6        1.465796943      2.531552943     -2.000704943
6       -0.139334000      2.274405000     -3.796567057
6        1.725882000      3.832381943     -2.423148000
6        0.105881000      3.587316000     -4.194883000
6        1.041151000      4.368578943     -3.517666000
1        1.975422886      2.127425943     -1.135423943
1       -0.875451057      1.679774000     -4.325678057
1        2.455613057      4.435219943     -1.886356000
1       -0.433266000      3.994918000     -5.045340000
1        1.233895000      5.388872943     -3.834709943

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

Rh
LANL2DZ






