%nproc=20
%Mem=40000MB
%Chk=AC01-Br-Int12
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

0 1
 C                  2.02961071    3.08918716   -0.42662825
 C                  1.57472710    1.79435315   -0.12317756
 C                  2.49796249    0.81511558    0.27307997
 C                  4.29934633    2.42909175    0.02115565
 H                  2.16211701   -0.18221564    0.54074489
 H                  5.35701262    2.66831186    0.08420143
 C                  0.10176308    1.73236561   -0.24375680
 C                 -0.66446258    0.62358236   -0.17484676
 C                  0.89605211    4.00922802   -0.79670968
 H                  0.89871535    4.25865174   -1.86314896
 H                  0.94622925    4.95258879   -0.24395601
 C                 -0.39480902    3.16360087   -0.46409916
 H                 -1.09281269    3.21921427   -1.30449075
 C                 -1.07307862    3.78722837    0.72100666
 C                 -0.81903012    3.38608727    1.97406100
 H                 -1.44744520    3.78575752    2.76978808
 H                 -0.47642977    2.36046348    2.11237845
 C                 -1.92449876    4.97726993    0.45232384
 H                 -2.89671548    4.59035905    0.11050964
 H                 -2.09527015    5.58539812    1.34327713
 H                 -1.52723448    5.59089336   -0.36228339
 P                  0.32659773   -3.65645250    0.12591718
 C                 -0.90734292   -4.67548994    1.02831067
 H                 -0.59747242   -5.72570710    1.04192517
 H                 -1.00251532   -4.30997321    2.05481881
 H                 -1.87942713   -4.58971690    0.53434479
 C                  1.91974229   -4.00179791    0.97242646
 H                  2.11614515   -5.07866351    0.99522858
 H                  2.72968002   -3.49602942    0.43907216
 H                  1.87976031   -3.61759406    1.99560648
 C                  0.49043594   -4.48009159   -1.50819985
 H                 -0.44927702   -4.38403956   -2.05944530
 H                  1.28454239   -3.99464101   -2.08279416
 H                  0.73037456   -5.54039006   -1.37771655
 Au                -0.20377589   -1.37874052   -0.01138092
 C                  3.85382898    1.13834515    0.33845716
 H                  4.56952705    0.38250220    0.64996773
 C                  3.38290444    3.41293585   -0.35831041
 H                  3.71785574    4.42087143   -0.58802082
 Br                -2.63253768    0.96630635   -0.28939026

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




