%nproc=20
%Mem=40000MB
%Chk=AC01-Br-TS3a-10-ipr_more
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 C                  2.66539600    1.75039900   -0.05844400
 C                  1.98590900    0.57356400    0.30079800
 C                  2.69361700   -0.63207000    0.38831100
 C                  4.71993400    0.52257900   -0.29832700
 H                  2.19332500   -1.54351700    0.70056800
 H                  5.78107200    0.49539200   -0.52728200
 C                  0.54830000    0.87114900    0.52789000
 C                 -0.44328300   -0.04662900    0.44881600
 C                  1.74615700    2.94675100   -0.06091100
 H                  1.51784000    3.26745700   -1.08306800
 H                  2.18019300    3.80375000    0.45780500
 C                 -0.71910900    2.35730400    2.90035500
 H                 -0.45681700    2.82855700    3.85541000
 H                 -1.79933900    2.51055000    2.76500900
 H                 -0.52776400    1.28431300    2.92553700
 C                  0.15980000    4.51994300    1.93993600
 H                 -0.70581800    4.95608800    2.44786600
 H                  1.03101500    4.69892600    2.59024000
 H                  0.33432800    5.02811000    0.99007800
 P                 -0.29095900   -4.40388300   -0.20132600
 C                 -1.22421400   -5.39361900    1.03297400
 H                 -1.12867200   -6.46271000    0.81671300
 H                 -0.83155300   -5.18827400    2.03293500
 H                 -2.27990300   -5.10906600    1.00559500
 C                  1.41284200   -5.08758400   -0.14372200
 H                  1.39643500   -6.16811600   -0.31983000
 H                  2.02462900   -4.60241700   -0.90962400
 H                  1.85289100   -4.88505800    0.83687800
 C                 -0.94734600   -4.95382300   -1.82660000
 H                 -1.99919800   -4.66659500   -1.91079300
 H                 -0.38514500   -4.46734100   -2.62878900
 H                 -0.85657200   -6.04050700   -1.92619200
 Au                -0.37613100   -2.09129800    0.15049600
 C                  4.05654400   -0.64954100    0.08663300
 H                  4.60910200   -1.58206400    0.16158000
 C                  4.02282200    1.73225000   -0.36946900
 H                  4.53421100    2.64906700   -0.65199200
 Br                -2.32161600    0.61227400    0.55814100
 C                  0.00719400    3.04290000    1.80723000
 C                  0.47733900    2.38596300    0.64765200
 H                 -0.46016400    2.80486300   -0.03876700
 O                 -1.28590800    3.50408400   -1.06185400
 H                 -0.75649200    4.32334100   -1.26118000
 C                 -1.62560100    2.83173800   -2.30633800
 O                  0.12633100    5.76057300   -1.30241200
 H                 -2.33361800    2.05652600   -2.00536500
 H                  0.85360300    5.78370500   -1.94667500
 C                 -0.69410400    6.95140400   -1.47530300
 H                 -1.13996600    6.91659200   -2.47891700
 C                 -2.31077400    3.83776300   -3.22484500
 H                 -1.61488900    4.63654300   -3.51016100
 H                 -2.65526600    3.34487400   -4.14032800
 H                 -3.17320100    4.28960400   -2.72524500
 C                 -0.39486600    2.18376100   -2.93450300
 H                  0.07268900    1.47890400   -2.23969600
 H                 -0.67945700    1.63456100   -3.83836000
 H                  0.34204700    2.94444300   -3.22054800
 C                 -1.79504100    6.86799100   -0.42749800
 H                 -1.37026900    6.93286600    0.58014600
 H                 -2.49930100    7.69551100   -0.55930600
 H                 -2.34421600    5.92549000   -0.51447500
 C                  0.17301600    8.19685600   -1.33613000
 H                  0.96556200    8.21350200   -2.09375000
 H                 -0.43359200    9.09958800   -1.46463800
 H                  0.63767700    8.22485500   -0.34410400

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




