%nproc=20
%Mem=40000MB
%Chk=AC01-Br-Int4_D
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt EmpiricalDispersion=GD3 freq=(noraman) nosymm
# scf(maxcyc=100)

opt freq

1 1
 C                  3.07162100    0.65696300   -0.85531000
 C                  2.03715900    0.10808900   -0.08273300
 C                  2.01996900   -1.26162300    0.19985600
 C                  4.03622700   -1.52061700   -1.13775200
 H                  1.25948300   -1.69505600    0.84144200
 H                  4.80989300   -2.16444100   -1.54565500
 C                  1.14895200    1.21436400    0.37907800
 C                 -0.11800800    0.96423600    0.94993000
 C                  2.88469800    2.14239800   -0.94559600
 H                  2.69726300    2.48612500   -1.97298500
 H                  3.75152800    2.72414200   -0.59897700
 C                  1.68643100    2.43264600   -0.08581100
 C                  1.95389700    4.38926300    1.38665000
 H                  3.03703400    4.42986100    1.23136700
 H                  1.59337100    5.40467000    1.57950600
 H                  1.74761400    3.77277800    2.26511800
 C                  1.50637500    4.75308200   -1.09057400
 H                  1.10244000    5.74856300   -0.88260300
 H                  2.57775800    4.86357100   -1.28772500
 H                  1.02294600    4.37257500   -1.99637600
 P                 -2.62066900   -2.54620400    0.04586900
 C                 -3.91422700   -2.92798600    1.28867500
 H                 -4.48012600   -3.81401100    0.98333400
 H                 -3.44452600   -3.11217300    2.25892900
 H                 -4.59287200   -2.07548200    1.38131000
 C                 -1.64515800   -4.09074600   -0.12564400
 H                 -2.30426400   -4.92793400   -0.37653500
 H                 -0.90029900   -3.96188100   -0.91589900
 H                 -1.12854700   -4.30306200    0.81444300
 C                 -3.51683900   -2.37091600   -1.54549300
 H                 -4.18619900   -1.50773900   -1.49442400
 H                 -2.79562200   -2.21196400   -2.35199400
 H                 -4.10064600   -3.27394200   -1.75105300
 Au                -1.28550300   -0.68815200    0.57263700
 C                  3.02244400   -2.06995800   -0.34278100
 H                  3.02149500   -3.13535500   -0.13155400
 C                  4.07250100   -0.14518300   -1.39158500
 H                  4.86989200    0.28710600   -1.98933300
 Br                -0.90598200    2.26476900    2.09606900
 C                  1.23670600    3.84090300    0.11877000
 H(Iso=2.014)       0.16287600    3.85239800    0.32622000

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




