%nproc=20
%Mem=40000MB
%Chk=AC01-Br-Int3a2_D
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt EmpiricalDispersion=GD3 freq=(noraman) nosymm
# scf(maxcyc=100)

opt freq

1 1
 C                  2.49973800    3.04709100    0.04422100
 C                  2.03596600    1.73249200   -0.14875800
 C                  2.92725400    0.65300800   -0.14787600
 C                  4.74788000    2.21530000    0.23584500
 H                  2.56765000   -0.35995600   -0.30414400
 H                  5.80945900    2.39493400    0.37973300
 C                  0.57970000    1.75786300   -0.32456300
 C                 -0.28452500    0.73260600   -0.33742900
 C                  1.36131600    4.04810200    0.04843300
 H                  1.55353100    4.91974400   -0.58361500
 H                  1.18961400    4.42012100    1.06461800
 C                  0.15565400    3.21497500   -0.48430000
 H(Iso=2.014)       0.05019000    3.40857400   -1.55973100
 C                 -1.19735200    3.47933900    0.17199800
 C                 -2.00422800    4.61123400   -0.41512700
 H                 -2.04881400    4.56451100   -1.50555500
 H                 -3.01549400    4.64904600   -0.00307600
 H                 -1.49368300    5.54321000   -0.13411100
 C                 -1.25324800    3.37421800    1.68020800
 H                 -0.79433200    4.28040700    2.09445500
 H                 -2.28492100    3.33602300    2.03573600
 H                 -0.70137200    2.50740100    2.05078900
 P                 -0.09711600   -3.62556500    0.07519000
 C                 -1.09637200   -4.29723600    1.46080200
 H                 -0.97170200   -5.38305800    1.52523800
 H                 -0.77324300   -3.83753600    2.39893500
 H                 -2.15168900   -4.06107700    1.29768700
 C                  1.61469500   -4.19719300    0.40997200
 H                  1.63718800   -5.28622900    0.51886100
 H                  2.26530800   -3.90042600   -0.41746100
 H                  1.97987800   -3.73109600    1.32954000
 C                 -0.63500200   -4.58402200   -1.39509100
 H                 -1.68165200   -4.35603900   -1.61533700
 H                 -0.02394300   -4.30356500   -2.25756700
 H                 -0.52834800   -5.65730000   -1.20636000
 Au                -0.24996200   -1.30287400   -0.16940100
 C                  4.28513700    0.90498300    0.04594800
 H                  4.99143900    0.07973800    0.04314000
 C                  3.85683100    3.29317400    0.23715400
 H                  4.21885900    4.30699600    0.38469800
 Br                -2.14540500    1.60716600   -0.49811800

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




