%nproc=20
%Mem=40000MB
%Chk=AC01-Br-TS3a-4_IRC_LQA
#p irc=(calcfc,lqa,maxcycle=100,maxpoints=400) SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp EmpiricalDispersion=GD3 nosymm scf=(xqc,maxcyc=1024) 

opt freq

1 1
 C                  2.24775500    2.73275100   -0.44685000
 C                  1.66595100    1.59291900    0.13431300
 C                  2.47586900    0.56408600    0.62184600
 C                  4.43498600    1.80073000   -0.12267800
 H                  2.04049700   -0.30180900    1.11020800
 H                  5.51441100    1.87226600   -0.21764700
 C                  0.18316800    1.72677600    0.09612800
 C                 -0.68483500    0.69089900   -0.05075100
 C                  1.18889600    3.74096300   -0.84809900
 H                  1.00138000    3.72737500   -1.92961600
 H                  1.43927400    4.76386000   -0.55937700
 C                 -0.01151500    3.19361500   -0.08242900
 H                 -1.23520500    3.40908100   -0.60799900
 C                 -0.97504300    4.01332600    0.53736000
 C                 -0.99189700    5.50344000    0.29239400
 H                 -0.59266800    5.78636300   -0.68257100
 H                 -2.00989000    5.88896800    0.38798600
 H                 -0.37913300    5.97571500    1.07016100
 C                 -1.88344700    3.51222800    1.62726100
 H                 -1.75282200    4.19399400    2.47578700
 H                 -2.93319700    3.56194700    1.32493800
 H                 -1.64335200    2.49630900    1.93961800
 P                  0.17861900   -3.63090300    0.04161600
 C                 -0.98548600   -4.63183600    1.04830000
 H                 -0.68762800   -5.68536300    1.03714900
 H                 -0.98542200   -4.26397300    2.07828400
 H                 -1.99547000   -4.53464300    0.64023400
 C                  1.83571900   -3.99905700    0.74072600
 H                  2.02195000   -5.07786600    0.73624800
 H                  2.60146800   -3.49359900    0.14542200
 H                  1.88616700   -3.62543600    1.76745200
 C                  0.17576700   -4.43282900   -1.60978200
 H                 -0.81385900   -4.32605000   -2.06295200
 H                  0.91172900   -3.94317100   -2.25370700
 H                  0.42194000   -5.49569400   -1.51748200
 Au                -0.29996200   -1.34019400   -0.00445800
 C                  3.86180500    0.67593500    0.48382800
 H                  4.50139100   -0.11557500    0.86375200
 C                  3.62648000    2.84407300   -0.58713600
 H                  4.06746300    3.72699900   -1.04108000
 Br                -2.55377200    1.11686600   -0.52961700

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




