%nproc=8
%Mem=20000MB
%Chk=AC01-Br-TS3a-5_SC1_p7
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt=(calcfc,maxstep=3) EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 C                  1.89892700    2.64886000   -0.41739900
 C                  1.24750200    1.45904700   -0.04642100
 C                  1.88384300    0.55276300    0.80866000
 C                  3.83152200    2.00766800    0.86272600
 H                  1.37575000   -0.34916600    1.13571600
 H                  4.83480600    2.21519600    1.22386500
 C                 -0.09752600    1.41469600   -0.67530800
 C                 -0.77249700    0.28753800   -0.98421700
 C                  1.00432300    3.49084400   -1.29814700
 H                  1.27600700    3.37507500   -2.35471300
 H                  1.04309900    4.55925400   -1.07209600
 C                 -0.40716300    2.88154100   -1.08201400
 H                 -1.01792300    2.90594700   -1.98721400
 C                 -0.49173500    3.82648700    1.33705100
 H                  0.45661900    4.34431500    1.18984500
 H                 -1.13205000    4.38979100    2.01832600
 H                 -0.26669200    2.86370200    1.81334900
 C                 -2.64569100    3.18088800    0.16859700
 H                 -2.70525100    2.15980800    0.56630500
 H                 -3.15626000    3.84117900    0.87310400
 H                 -3.15482900    3.17699700   -0.79625100
 P                  0.36763100   -3.92631100   -0.36880600
 C                 -0.67631400   -4.85485000    0.82371900
 H                 -0.31408900   -5.88309700    0.92640200
 H                 -0.64479400   -4.35955500    1.79822900
 H                 -1.71091900   -4.86675000    0.46936100
 C                  2.07771600   -4.11630300    0.27431600
 H                  2.32297400   -5.17612600    0.39771600
 H                  2.78210900   -3.65840200   -0.42597200
 H                  2.16232700   -3.60763500    1.23900400
 C                  0.33616200   -4.94713300   -1.89569900
 H                 -0.67883100   -4.96247800   -2.30278000
 H                  1.00633500   -4.50859300   -2.64046100
 H                  0.65604400   -5.97095800   -1.67524400
 Au                -0.25814400   -1.69275300   -0.68250200
 C                  3.17842900    0.83318900    1.25515800
 H                  3.67544900    0.13798700    1.92609300
 C                  3.18831900    2.92660300    0.02507600
 H                  3.68423600    3.84849800   -0.26727600
 Br                -2.47994100    0.49022800   -1.98411400
 C                 -1.19183300    3.51540100    0.05069000
 O                 -1.30960300    5.30231400   -0.70618700
 C                 -1.78451400    6.39428000    0.12728600
 H                 -2.75085600    6.15416100    0.57730600
 H                 -1.02776900    6.55071200    0.89342700
 H                 -1.86528100    7.28311700   -0.50138700
 H                 -1.89380500    5.21394900   -1.48308800

C H P O 0
6-31G*
****
Br 0
LANL2DZ
D 1 1.0
0.428 1.0
****
Au 0
SDD 
****

Br 0
LANL2DZ
Au 0
SDD




