%nproc=20
%Mem=40000MB
%Chk=AC01-Br-Int4
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 C                  2.75254529    0.87617177   -1.49668021
 C                  1.70497123    0.32286157   -0.75370774
 C                  1.63977966   -1.03168507   -0.45117402
 C                  3.80393019   -1.28586078   -1.58768365
 H                  0.81002489   -1.44045120    0.08637294
 H                  4.61661685   -1.91299479   -1.88929830
 C                  0.73780884    1.45038322   -0.41999645
 C                 -0.57139208    1.34876520   -0.08533989
 C                  2.51959792    2.40794269   -1.75993129
 H                  2.06981701    2.60029723   -2.71105240
 H                  3.43206623    2.96337505   -1.70633506
 C                  1.56122880    2.72033218   -0.61739375
 C                  1.03295783    3.67618139    1.65116920
 H                  1.72001557    2.98975907    2.09929937
 H                  0.99360393    4.57328120    2.23372739
 H                  0.06018539    3.23351239    1.61312668
 C                  2.90254028    4.64908547    0.28192845
 H                  2.86275814    5.54397270    0.86768321
 H                  3.58848297    3.96019434    0.72840615
 H                  3.22863297    4.88590560   -0.70876254
 P                 -2.50772031   -2.69806760    0.25976651
 C                 -3.99423190   -2.57329960    1.30371699
 H                 -4.45460762   -3.53543186    1.38500421
 H                 -3.71789586   -2.22731327    2.27728231
 H                 -4.68388557   -1.88496276    0.86279598
 C                 -1.33453202   -3.87045128    1.00861073
 H                 -1.79752663   -4.83103624    1.09590038
 H                 -0.46452199   -3.94822727    0.39021117
 H                 -1.05155897   -3.52124410    1.97937425
 C                 -2.97971906   -3.28637503   -1.39518061
 H                 -3.67078003   -2.59807243   -1.83465899
 H                 -2.10703816   -3.35756185   -2.01014989
 H                 -3.43856341   -4.24882152   -1.31361456
 Au                -1.47938219   -0.54917319    0.07692838
 C                  2.70919851   -1.84678389   -0.87593406
 H                  2.69746133   -2.89406991   -0.65963081
 C                  3.82931537    0.09116141   -1.90304905
 H                  4.65012453    0.51713970   -2.44104219
 Br                -1.59701229    2.92620706    0.24200200
 C                  1.50229188    4.01121195    0.22285096
 H                  0.81549885    4.69821937   -0.22473332

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




