%nproc=20
%Mem=40000MB
%Chk=AC01-N-JP-TS1a-2a
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt=(modredundant) EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 C                 -1.91546600   -0.38603900   -1.28501400
 C                 -1.47773700    0.76988900   -0.88393500
 C                 -1.81998400    2.12769600   -1.31984400
 C                 -2.14943000    2.39685700   -2.66650100
 C                 -1.79216900    3.18156100   -0.38866900
 H                 -1.53267700    2.96496200    0.64394900
 C                 -2.41671000    4.75218700   -2.10756100
 H                 -2.64572500    5.76599500   -2.42287500
 C                 -2.16712600    1.28582900   -3.69212500
 H                 -1.13257800    0.99654900   -3.91773500
 H                 -2.58755800    1.66326800   -4.63300400
 C                 -2.90441100    0.02424000   -3.29545400
 H                 -2.47858400   -0.88434400   -3.71684200
 C                 -4.12559200   -0.09026700   -2.69287500
 C                 -4.78619600   -1.43964500   -2.58712700
 H                 -5.28887800   -1.56488600   -1.62147600
 H                 -4.08815200   -2.26605700   -2.74673400
 H                 -5.56772400   -1.51378000   -3.35571600
 C                 -4.94945500    1.05288300   -2.16575400
 H                 -5.99121400    0.92517100   -2.48383700
 H                 -4.59897700    2.03042000   -2.49387300
 H                 -4.95381000    1.04077000   -1.06780700
 Au                 0.11052900    0.43846500    0.50398500
 C                 -2.10405300    4.48319600   -0.77282600
 H                 -2.09232900    5.28285000   -0.03838500
 C                 -2.43356100    3.71414500   -3.04078600
 H                 -2.68030100    3.92548900   -4.07810300
 C                 -2.51737800   -2.56587600   -0.19091600
 C                 -2.15303800   -3.95151400   -0.75361300
 H                 -3.59285400   -2.39467200   -0.22771400
 H                 -2.93220800   -4.35780100   -1.40283300
 H                 -1.90081800   -4.67298000    0.02258900
 N                 -1.83990200   -1.70927600   -1.19692300
 C                 -0.85266800   -2.44191900   -1.90113000
 O                 -0.04005800   -1.98194300   -2.66325700
 O                 -0.96574800   -3.73477000   -1.56317000
 C                 -1.98463100   -2.29806200    1.22782400
 H                 -0.90228200   -2.46925000    1.23589900
 H                 -2.14500900   -1.23788900    1.45375700
 C                 -2.67129500   -3.16279800    2.26032100
 C                 -2.01797800   -4.26566200    2.82635500
 C                 -3.99070000   -2.88550700    2.64857600
 C                 -2.66852000   -5.07684600    3.76031000
 H                 -0.99164300   -4.48600100    2.54174400
 C                 -4.64315200   -3.69489800    3.57921800
 H                 -4.50612800   -2.02626500    2.22402800
 C                 -3.98308300   -4.79444000    4.13707000
 H                 -2.14670700   -5.92587700    4.19296900
 H                 -5.66393200   -3.46597600    3.87253500
 H                 -4.48982600   -5.42339000    4.86349800
 P                  1.87772260    0.03576742    2.06185580
 C                  1.80231066   -1.58975184    2.89134142
 C                  1.92132204    1.19704068    3.47180815
 C                  3.53347846    0.12372263    1.28042249
 C                  2.80141735   -1.71069721    4.05699917
 C                  2.05332637   -2.71795214    1.87362084
 C                  0.37870489   -1.75633686    3.45454303
 C                  3.15923543    0.91991608    4.34494756
 C                  0.65012943    0.99362925    4.31696679
 C                  1.95976180    2.65724285    2.98402539
 C                  3.78464600    0.82144998    0.07909691
 C                  4.57469000   -0.59445387    1.88283110
 H                  2.27612043   -1.97449133    4.95107736
 H                  3.52326833   -2.46749478    3.83097134
 H                  3.29904756   -0.77413886    4.19885357
 H                  2.87791064   -2.45413578    1.24484287
 H                  2.27815166   -3.62496719    2.39484756
 H                  1.17832375   -2.85863256    1.27405482
 H                 -0.30817946   -1.90890635    2.64843356
 H                  0.35142099   -2.60082066    4.11105096
 H                  0.10374487   -0.87502757    3.99545979
 H                  3.55626891    1.84598273    4.70503777
 H                  2.87994412    0.30488239    5.17478485
 H                  3.90160153    0.41633558    3.76168156
 H                  0.62805661   -0.00803066    4.69258656
 H                  0.65265101    1.68181877    5.13628896
 H                 -0.21355022    1.16576838    3.70924517
 H                  1.89902541    3.31594495    3.82505014
 H                  2.87477845    2.83364947    2.45816870
 H                  1.13218967    2.83668975    2.32994345
 C                  5.06163377    0.73672606   -0.48976468
 C                  2.78113299    1.66212657   -0.61957084
 C                  5.84050154   -0.64824865    1.31378947
 H                  4.39728486   -1.13354276    2.81227048
 C                  6.08070806    0.01225050    0.11383554
 H                  5.25430006    1.27483314   -1.41757859
 C                  2.45646417    1.40524481   -1.95789764
 C                  2.18300555    2.75609357    0.01774958
 H                  6.63195223   -1.21226150    1.80367780
 H                  7.06482190   -0.02867331   -0.34950617
 C                  1.54828119    2.21490650   -2.63515037
 H                  2.92170328    0.55999581   -2.46714449
 C                  1.27283358    3.56410293   -0.65912764
 H                  2.45609605    2.99162651    1.04672433
 C                  0.95295657    3.29607328   -1.98806430
 H                  1.31330161    2.00588311   -3.67887142
 H                  0.82475862    4.41574969   -0.14949725
 H                  0.24936243    3.93343266   -2.52153681

1 12 F

C H P N O 0
6-31G*
****
Au 0
SDD 
****

Au 0
SDD

--link1--
%nproc=20
%Mem=40000MB
%Chk=AC01-N-JP-TS1a-2a
#p geom=checkpoint guess=read SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt=(ts,noeigentest,calcfc,modredundant) EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1

1 12 A

C H P N O 0
6-31G*
****
Au 0
SDD 
****

Au 0
SDD






