%nproc=20
%Mem=40000MB
%Chk=AC01-Br-Int7d
#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                  2.89684800    0.99064700   -0.45366900
 C                  1.99742700    0.02034800    0.02555700
 C                  2.49046500   -1.15409200    0.60530300
 C                  4.76097900   -0.40100400    0.16543300
 H                  1.81097300   -1.89316700    1.01904000
 H                  5.83231400   -0.57199900    0.22358700
 C                  0.60838400    0.49677500   -0.19295800
 C                 -0.45798800   -0.31505700   -0.35920700
 C                  2.14372100    2.18834400   -0.98350300
 H                  2.10137900    2.16507200   -2.08021700
 H                  2.60970600    3.13963300   -0.71173400
 C                  0.70836200    2.01359400   -0.40753000
 H                 -0.04700200    2.33875200   -1.12607100
 C                  1.40233600    2.41372300    2.05634600
 H                  2.45201500    2.40187700    1.75762300
 H                  1.28344100    3.10912700    2.89402000
 H                  1.14578100    1.41103900    2.40521800
 C                 -0.97705600    2.77255700    1.37184800
 H                 -1.24526700    1.74424300    1.62291200
 H                 -1.11106100    3.39060500    2.26577700
 H                 -1.67030400    3.11087800    0.59874300
 P                 -0.76093500   -4.70963100   -0.16019600
 C                 -1.30657100   -5.37715100    1.46261600
 H                 -1.33614200   -6.47149200    1.43408400
 H                 -0.61003700   -5.05245500    2.24096900
 H                 -2.30208000   -4.99193800    1.70114000
 C                  0.83628500   -5.56054500   -0.48013200
 H                  0.71139800   -6.64653700   -0.41659900
 H                  1.19859600   -5.29313500   -1.47679300
 H                  1.57501600   -5.23572600    0.25838100
 C                 -1.92484700   -5.45067700   -1.37324300
 H                 -2.93070000   -5.05773400   -1.19972300
 H                 -1.61368900   -5.18051700   -2.38645600
 H                 -1.93746100   -6.54108800   -1.27436400
 Au                -0.60973300   -2.37233000   -0.25394000
 C                  3.87210200   -1.35824700    0.66872300
 H                  4.25873800   -2.26529400    1.12568800
 C                  4.27238800    0.78423600   -0.39760200
 H                  4.95917500    1.53380600   -0.78400900
 C                  0.47960300    2.82480900    0.90754300
 O                  0.84491200    4.24319000    0.67969100
 C                  0.28227100    4.92236500   -0.46057100
 H                 -0.80854300    4.85430600   -0.46291400
 H                  0.68334400    4.52100600   -1.39453100
 H                  0.57996200    5.96835100   -0.36181000
 H                  4.56851600    3.42600200    0.84172000
 C                  4.44913400    4.31555600    1.46627900
 H                  4.21887400    4.01584300    2.49439700
 O                  3.41763500    5.16681500    0.92380900
 H                  5.37387500    4.89382400    1.45277300
 H                  2.57073300    4.66506500    0.82261800
 H                  3.07145500    6.25751600    1.81785800
 O                  2.65904800    6.98301700    2.46849600
 C                  2.63757500    8.29841600    1.83208400
 H                  2.06707800    8.25964600    0.90115900
 H                  3.67226000    8.58091800    1.64156300
 H                  2.17895100    8.98875700    2.53890600
 H                  1.66845100    6.63634900    2.64797300
 O                  0.36370200    6.05580700    2.67666600
 H                  0.39964600    5.28910800    2.05254400
 C                 -0.13970100    5.64861800    3.96404700
 H                  0.48658200    4.86975400    4.41269000
 H                 -1.16666700    5.28632200    3.86244800
 H                 -0.13086800    6.53389600    4.60128400
 Br                -2.09856370    0.53132987   -0.84935048

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




