%nproc=20
%Mem=40000MB
%Chk=AC01-Br-TS1-3-6endo_less2
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 C                  2.53258360    0.20751541    0.07721397
 C                  1.75050402   -0.19677732   -1.03625370
 C                  2.11987780   -1.30816838   -1.82780048
 C                  4.05792656   -1.62207765   -0.43115683
 H                  1.48038172   -1.59541373   -2.65793546
 H                  4.96415391   -2.16856283   -0.19091776
 C                  0.56678700    0.51145900   -1.37452400
 C                 -0.45433316    1.14630009   -1.68654321
 C                  2.11715862    1.39905197    0.91468795
 H                  1.10865628    1.22734209    1.30632501
 H                  2.77900638    1.45937500    1.78755440
 C                  2.17565626    2.69182686    0.12505891
 H                  3.09077257    2.82730207   -0.45796194
 C                  1.25098906    3.66505284    0.08538947
 C                 -0.04754063    3.64172442    0.86152001
 H                 -0.86175642    4.06424971    0.26158478
 H                  0.03305285    4.25999106    1.76857497
 H                 -0.34527965    2.63725898    1.17318707
 C                  1.46233189    4.90074288   -0.75665378
 H                  1.36696614    5.80821341   -0.14734840
 H                  0.69328699    4.96755296   -1.54162814
 H                  2.44521934    4.90975552   -1.24045430
 P                 -2.95683201   -1.89386764    0.46113195
 C                 -3.63414033   -1.25528828    2.03333540
 H                 -4.29890104   -1.99823939    2.48296826
 H                 -4.19005077   -0.33518473    1.83450358
 H                 -2.81412648   -1.03332726    2.72198007
 C                 -4.41290919   -2.32151204   -0.56821893
 H                 -5.04419858   -3.04275880   -0.03751827
 H                 -4.08054117   -2.75194859   -1.51669928
 H                 -4.98948575   -1.41526356   -0.77529608
 C                 -2.16082714   -3.49689350    0.86645674
 H                 -1.31756569   -3.33084243    1.54095088
 H                 -1.79278864   -3.96248383   -0.05300818
 H                 -2.88927685   -4.16092504    1.34488824
 Au                -1.53034821   -0.37727443   -0.56191002
 C                  3.27439059   -2.01980178   -1.52124762
 H                  3.56053700   -2.87845383   -2.11997090
 C                  3.69134886   -0.52010608    0.35011232
 H                  4.31360322   -0.22599519    1.19062455
 Br                -1.17661556    2.62715178   -2.49001413

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




