%nproc=20
%Mem=40000MB
%Chk=AC01-Br-Int8
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

0 1
 C                  0.51975984    3.14198246    1.93957046
 C                  0.18788711    1.84707404    1.50384935
 C                 -0.19783990    0.88202664    2.44443601
 C                  0.11170944    2.50817366    4.22499033
 H                 -0.48292632   -0.11540469    2.12391117
 H                  0.07575087    2.75750349    5.28171011
 C                  0.29122204    1.76321727    0.02846258
 C                  0.22750219    0.63783365   -0.71329046
 C                  0.90436764    4.02882875    0.78247987
 H                  1.98461230    4.21619227    0.76544707
 H                  0.41875603    5.01001711    0.81752596
 C                  0.51274466    3.19879073   -0.48909118
 H                  1.31746054    3.22032045   -1.22711998
 C                 -0.73471949    3.77088662   -1.11629479
 C                 -0.66257427    4.51008336   -2.27531519
 H                  0.22960350    4.44247170   -2.89656253
 H                 -1.58148261    4.80966374   -2.77902163
 C                 -2.02659180    3.61073832   -0.38172763
 H                 -1.91233111    3.83200868    0.68481595
 H                 -2.82481041    4.22129151   -0.80885021
 H                 -2.31800950    2.55440550   -0.44784664
 P                 -0.14191034   -3.61086739    0.39166122
 C                  0.15217467   -4.79510943   -0.98150603
 H                  0.05014232   -5.82500995   -0.62398893
 H                 -0.57272541   -4.61325291   -1.78009137
 H                  1.15923231   -4.64661274   -1.38146053
 C                 -1.79170119   -4.07717322    1.05236531
 H                 -1.80766104   -5.13795174    1.32340330
 H                 -2.01291772   -3.47296259    1.93692348
 H                 -2.55664723   -3.88296441    0.29517495
 C                  1.03234588   -4.12859170    1.70585725
 H                  2.05811330   -3.96274819    1.36479856
 H                  0.85998374   -3.52731059    2.60322433
 H                  0.89368560   -5.18806623    1.94477084
 Au                 0.04557698   -1.35267285   -0.20180315
 C                 -0.22961589    1.21798385    3.79855300
 H                 -0.53389371    0.47200150    4.52780077
 C                  0.48592243    3.47856574    3.29084874
 H                  0.74375373    4.48416299    3.61329612
 Br                 0.36128069    0.90870133   -2.69015589

C H P 0
6-31G*
****
Br 0
LANL2DZ
D 1 1.0
0.428 1.0
****
Au 0
SDD 
****

Br 0
LANL2DZ
Au 0
SDD




