%nproc=20
%Mem=40000MB
%Chk=AC01-Br-Ts3a-10_2_more
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt=(maxstep=4) EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 C                  2.61451600    1.75755700   -0.14294600
 C                  1.93585300    0.59486500    0.26244900
 C                  2.64052600   -0.60899600    0.38471900
 C                  4.66357700    0.51766100   -0.35587100
 H                  2.14059200   -1.50734700    0.73339600
 H                  5.72368100    0.48001700   -0.59045700
 C                  0.50320500    0.90699200    0.50339200
 C                 -0.49696200   -0.00262500    0.46193300
 C                  1.69166100    2.95214200   -0.18105400
 H                  1.42552300    3.21168400   -1.21244300
 H                  2.13755600    3.84125400    0.27068200
 C                 -0.66008500    2.43783600    2.89067500
 H                 -0.35587700    2.91286900    3.83103400
 H                 -1.74242700    2.60657000    2.79340000
 H                 -0.48411300    1.36229200    2.91779700
 C                  0.20926400    4.58011600    1.87527700
 H                 -0.61783600    5.02981800    2.43298200
 H                  1.12158200    4.75491300    2.46808800
 H                  0.33254500    5.07793500    0.91134100
 P                 -0.38468100   -4.36209800   -0.17966400
 C                 -1.33350500   -5.34754800    1.04610300
 H                 -1.24493300   -6.41681400    0.82759400
 H                 -0.94589700   -5.14795400    2.04917000
 H                 -2.38671800   -5.05463400    1.01240500
 C                  1.31263500   -5.06100600   -0.11555600
 H                  1.28789200   -6.14050400   -0.29686000
 H                  1.93292300   -4.57767400   -0.87578100
 H                  1.74893900   -4.86686200    0.86839100
 C                 -1.03702800   -4.90137000   -1.81023900
 H                 -2.08570400   -4.60422900   -1.89959800
 H                 -0.46583700   -4.41775500   -2.60779500
 H                 -0.95572300   -5.98856000   -1.91258700
 Au                -0.44970100   -2.04880800    0.17387700
 C                  4.00126300   -0.63985900    0.07251800
 H                  4.55270500   -1.57041700    0.17490900
 C                  3.96872800    1.72602300   -0.46293700
 H                  4.48100800    2.63144100   -0.77936200
 Br                -2.36537200    0.67795000    0.61447100
 C                  0.03495000    3.10343300    1.76460000
 C                  0.44974800    2.42505100    0.59677200
 H                 -0.50611700    2.84621300   -0.05994600
 O                 -1.33262000    3.47179900   -1.13080300
 H                 -0.85584000    4.32771200   -1.31128900
 C                 -1.38410100    2.69594500   -2.34074800
 O                  0.03661000    5.74515400   -1.34912100
 H                 -0.38001500    2.47364100   -2.72182300
 H                 -1.89549000    1.76362400   -2.10114100
 H                 -1.95171200    3.24076700   -3.10204900
 H                  0.70775400    5.79408500   -2.04914500
 C                 -0.77767500    6.93142300   -1.39175600
 H                 -1.51895400    6.82278600   -0.59799300
 H                 -0.17230100    7.82353700   -1.20138500
 H                 -1.29074700    7.02987300   -2.35499900

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




