%nproc=8
%Mem=20000MB
%Chk=AC01-Br-TS3a-4
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt=(calcfc,ts,noeigentest) EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 C                  2.24502554    2.74516068   -0.46137839
 C                  1.67437697    1.60559783    0.13120332
 C                  2.49346398    0.58407887    0.61891465
 C                  4.43987046    1.82782181   -0.14636538
 H                  2.06476866   -0.28115360    1.11455623
 H                  5.51812408    1.90505520   -0.24989743
 C                  0.19147401    1.72817822    0.10029300
 C                 -0.66980893    0.68650486   -0.03406129
 C                  1.17802028    3.74299968   -0.86732288
 H                  0.98722349    3.71747947   -1.94772187
 H                  1.42466685    4.76962984   -0.58881506
 C                 -0.01576458    3.19455988   -0.08991509
 H                 -1.22026380    3.39468693   -0.60026399
 C                 -0.96636300    4.01260071    0.54986613
 C                 -1.00467300    5.49931724    0.29475528
 H                 -0.62563356    5.78200473   -0.68821203
 H                 -2.02474347    5.87472474    0.40758742
 H                 -0.38334235    5.98222069    1.05939595
 C                 -1.86217573    3.50787681    1.64618257
 H                 -1.72787787    4.19341125    2.49139834
 H                 -2.91498991    3.55422296    1.35299871
 H                 -1.61441189    2.49404694    1.95911034
 P                  0.17996003   -3.63800470    0.05153870
 C                 -1.02531948   -4.63524500    1.01288814
 H                 -0.74698873   -5.69398208    0.98930751
 H                 -1.04298442   -4.28612423    2.04911769
 H                 -2.02345177   -4.51146897    0.58346995
 C                  1.81272061   -4.04175259    0.78823225
 H                  1.97892578   -5.12389163    0.78077853
 H                  2.60247437   -3.54797611    0.21497035
 H                  1.84613530   -3.67604008    1.81850389
 C                  0.20863708   -4.42149136   -1.60890697
 H                 -0.76708075   -4.29559557   -2.08661023
 H                  0.96809647   -3.93698580   -2.22901619
 H                  0.43575852   -5.48886132   -1.52085485
 Au                -0.28008299   -1.34350430    0.01671630
 C                  3.87771940    0.70302445    0.47062848
 H                  4.52490579   -0.08256906    0.84988905
 C                  3.62212286    2.86364802   -0.61141445
 H                  4.05479564    3.74641743   -1.07358551
 Br                -2.54522599    1.10286793   -0.50118203

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




