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

opt freq

1 1
 C                  2.77294800    0.48706800    0.28484200
 C                  1.65841500   -0.25878800   -0.16262000
 C                  1.83377300   -1.59769100   -0.55888300
 C                  4.19013600   -1.46063600   -0.05792300
 H                  0.97601700   -2.16365800   -0.90930700
 H                  5.17340100   -1.91954600   -0.01162600
 C                  0.33222400    0.36416800   -0.19108500
 C                 -0.06777400    1.59203600   -0.26558300
 C                  2.60028100    1.93249700    0.68325500
 H                  2.04110600    1.99459400    1.62532000
 H                  3.58347800    2.38064100    0.87181300
 C                  1.89391500    2.72031400   -0.40266100
 H                  2.07902100    2.37566300   -1.41968500
 C                  1.39316900    3.98904300   -0.26543800
 C                  1.21789700    4.67411800    1.05361300
 H                  0.16379700    4.94921300    1.19048200
 H                  1.78578000    5.61385200    1.05667300
 H                  1.53700300    4.07321100    1.90631300
 C                  0.96268700    4.76965000   -1.46939300
 H                  1.58726400    5.66822200   -1.56463300
 H                 -0.07043200    5.12064600   -1.35365400
 H                  1.03924700    4.19092400   -2.39349400
 P                 -3.17063800   -2.40282400    0.20794800
 C                 -4.05383100   -2.28871200    1.81107000
 H                 -4.85613800   -3.03291000    1.84942700
 H                 -4.47937000   -1.28774100    1.92346000
 H                 -3.34929500   -2.46789400    2.62819400
 C                 -4.46810200   -2.21998400   -1.07453900
 H                 -5.25911000   -2.95970900   -0.91354200
 H                 -4.02474600   -2.36822800   -2.06309200
 H                 -4.89273400   -1.21360800   -1.02453500
 C                 -2.61172500   -4.14481300    0.08557900
 H                 -1.88544000   -4.34955900    0.87682400
 H                 -2.13352000   -4.30601300   -0.88442400
 H                 -3.46562700   -4.82255700    0.18873700
 Au                -1.42491300   -0.88878600   -0.00802000
 C                  3.09159800   -2.19385800   -0.51272900
 H                  3.21207800   -3.22597700   -0.82791700
 C                  4.02541600   -0.13005500    0.33262800
 H                  4.88270700    0.44220700    0.67704900
 Br                -1.56009600    2.67292200   -0.21892200

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




