%nproc=20
%Mem=40000MB
%Chk=AC01-Br-TS4-6_2
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt=(calcfc,ts,noeigentest) EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 C                  2.79899900    2.36186800   -0.21410000
 C                  1.97778200    1.22876300   -0.31659300
 C                  2.51130400    0.05043500   -0.85468600
 C                  4.65941700    1.15825900   -1.13700000
 H                  1.89411100   -0.83329800   -0.97964400
 H                  5.69581400    1.12164600   -1.45940500
 C                  0.58746400    1.56430400    0.12275000
 C                 -0.42391300    0.64366700    0.17293000
 C                  2.02890000    3.50297800    0.38006300
 H                  2.14963800    4.45847500   -0.13957900
 H                  2.33803200    3.68953700    1.41802400
 H                 -1.36114200    3.58002200    1.07073300
 C                 -0.33353300    3.72397400    1.40069200
 C                 -0.07435700    5.23678600    1.51983300
 H                 -0.17360900    5.76864300    0.56659800
 H                 -0.81539100    5.66786100    2.19938600
 H                  0.91686900    5.45724000    1.92805600
 C                 -0.17623300    3.04717900    2.78303300
 H                  0.84786100    3.14256200    3.16023600
 H                 -0.84464600    3.54076900    3.49508000
 H                 -0.43450200    1.98648200    2.74264200
 P                 -0.32734500   -3.76833800    0.07838800
 C                 -1.95889500   -4.54523600    0.40305300
 H                 -1.87089600   -5.63647100    0.38312000
 H                 -2.32538800   -4.22705700    1.38307500
 H                 -2.67312100   -4.22355300   -0.36022700
 C                  0.79592800   -4.49471500    1.33589200
 H                  0.78120800   -5.58761900    1.27152600
 H                  1.81434000   -4.13334800    1.16743900
 H                  0.47392600   -4.18396200    2.33380300
 C                  0.22515500   -4.49658600   -1.51364700
 H                 -0.44668700   -4.17514100   -2.31439400
 H                  1.23657700   -4.14937600   -1.74284900
 H                  0.22066500   -5.58962000   -1.45037800
 Au                -0.35914900   -1.42644300    0.09111300
 C                  3.84895200    0.02206900   -1.25284600
 H                  4.25994600   -0.89260300   -1.67094400
 C                  4.13035300    2.34255300   -0.61745700
 H                  4.74502200    3.23429300   -0.53056200
 Br                -2.27994600    1.23725500    0.40858700
 C                  0.58433700    3.02488900    0.41267500
 C                  0.29386100    3.14575800   -2.44274900
 H                  0.05852600    2.08441300   -2.39828800
 H                 -0.28784200    3.62803600   -3.23019600
 H                  1.36514100    3.29809000   -2.58933900
 H                  0.01695600    4.67382000   -1.17917100
 O                 -0.13863600    3.71136700   -1.17215100

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




