%nproc=20
%Mem=40000MB
%Chk=AC01-Br-Int13_2
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

0 1
 C                  1.90280300    2.68001400   -0.48698600
 C                  1.25326500    1.48833800   -0.11806700
 C                  1.90042200    0.57463600    0.72111600
 C                  3.85136800    2.02605200    0.76255900
 H                  1.39546900   -0.32894000    1.04888700
 H                  4.85973500    2.22887000    1.11221600
 C                 -0.10050700    1.45790800   -0.73279300
 C                 -0.76853000    0.32787200   -1.04743000
 C                  0.99749400    3.52941000   -1.34926500
 H                  1.25633400    3.42113900   -2.40998900
 H                  1.05138400    4.59666100   -1.11647200
 C                 -0.41197300    2.91835200   -1.11132100
 H                 -1.02924900    2.95533600   -2.01456800
 C                 -0.45831700    3.81433700    1.32955200
 H                  0.48987400    4.34085800    1.20661100
 H                 -1.07760300    4.33266400    2.06544300
 H                 -0.23924500    2.81974200    1.72582400
 C                 -2.61676900    3.13501900    0.20912700
 H                 -2.56836000    2.10367100    0.56867100
 H                 -3.15000500    3.72984300    0.95542300
 H                 -3.17573100    3.12779300   -0.72944800
 P                  0.33347800   -3.88147100   -0.34281400
 C                 -0.80914900   -4.81762900    0.74983800
 H                 -0.44341200   -5.83911600    0.89771300
 H                 -0.88307300   -4.31418700    1.71805800
 H                 -1.80312500   -4.84937200    0.29463900
 C                  1.97795500   -4.05254800    0.45894500
 H                  2.21899800   -5.10855300    0.61941800
 H                  2.74091700   -3.59744400   -0.17912600
 H                  1.97007000   -3.53108800    1.42044600
 C                  0.45557600   -4.90530800   -1.86272100
 H                 -0.51460000   -4.92416900   -2.36728200
 H                  1.19370700   -4.46461600   -2.53889200
 H                  0.75585000   -5.92794900   -1.61180400
 Au                -0.27692100   -1.65204700   -0.71580300
 C                  3.20090000    0.84943500    1.15350000
 H                  3.70532200    0.14769900    1.81215600
 C                  3.19856200    2.95218200   -0.05926600
 H                  3.69211400    3.87569600   -0.35100600
 Br                -2.46793900    0.53129100   -2.07620700
 C                 -1.19658900    3.62902000    0.01834800
 O                 -1.33074500    5.11302900   -0.58962600
 C                 -1.77572100    6.24863600    0.24544700
 H                 -2.71514100    6.00224500    0.73881500
 H                 -0.97589700    6.43402500    0.95632400
 H                 -1.88837300    7.08873400   -0.43740200

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

Br 0
LANL2DZ
Au 0
SDD




