%nprocshared=24
%mem=41GB
%chk=TS2SM15.chk
#p opt=(modredundant,loose) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Loose preopt

1 1
 P                 -0.42290082   -0.28897435   -4.21394034
 Au                 0.26272156    0.35519667   -2.06991205
 C                 -2.23958909   -0.51292880   -4.36683073
 H                 -2.74393630    0.42698745   -4.12486632
 H                 -2.50291912   -0.81595209   -5.38563827
 H                 -2.57062479   -1.28046408   -3.66159406
 C                  0.28776537   -1.88350283   -4.78437916
 H                  0.00755033   -2.67749719   -4.08633309
 H                 -0.08488927   -2.12909034   -5.78432746
 H                  1.37851303   -1.80753821   -4.81067674
 C                  0.00870023    0.91006432   -5.53455704
 H                  1.09364029    1.04424630   -5.56273590
 H                 -0.33910008    0.54624124   -6.50685526
 H                 -0.45890842    1.87467552   -5.31769792
 C                  0.94583331    0.93018673   -0.16257044
 C                  0.99908788   -0.24867486    0.66281281
 H                  1.89964090   -0.84330183    0.49983578
 C                  1.34332525    2.17398566    0.12251613
 H                  1.31954780    2.96492796   -0.62107462
 H                  1.71128889    2.43502657    1.11329106
 C                 -0.19657938   -1.02818680    1.02492711
 C                 -1.49276232   -0.51078809    0.83646559
 C                 -0.04558776   -2.30369566    1.59835997
 C                 -2.60691200   -1.24821841    1.21976562
 H                 -1.61052908    0.47142363    0.38941416
 C                 -1.16426668   -3.03804470    1.99379589
 H                  0.95082822   -2.71239915    1.74525480
 C                 -2.44466913   -2.51139737    1.80431447
 H                 -3.60195253   -0.83894324    1.07469573
 H                 -1.03683759   -4.01956148    2.44022621
 H                 -3.31654775   -3.08383662    2.10734471
 C                  2.52444036   -1.11323117    4.08635496
 C                  3.63722893   -0.81376996    3.40963799
 C                  3.24756965    0.10864068    2.31656898
 N                  1.44459919   -0.36384678    3.52983335
 H                  2.34557981   -1.72960921    4.95604304
 H                  4.63915157   -1.18073768    3.57712255
 N                  1.86177691    0.38318931    2.43860321
 O                  3.94369444    0.54469361    1.41230988
 C                  0.24645627   -0.33623267    4.07923965
 H                  0.12055334   -1.07138314    4.86838707
 C                 -0.86407692    0.52146323    3.79934343
 C                 -0.80011958    1.67922275    2.98798217
 C                 -2.09197630    0.16621075    4.40810510
 C                 -1.93942185    2.44728574    2.79394476
 H                  0.13238015    1.94869052    2.51365995
 C                 -3.23026571    0.92948038    4.18679042
 H                 -2.14306523   -0.71671153    5.03880711
 C                 -3.15600518    2.06994297    3.37853173
 H                 -1.88684109    3.33702063    2.17459623
 H                 -4.17161890    0.64372166    4.64466520
 H                 -4.04563514    2.66832449    3.20636180

16 38 F

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

Au 0
SDD

--link1--
%nprocshared=24
%mem=41GB
%chk=TS2SM15.chk
#p opt=(modredundant,calcfc,ts,noeigentest,maxstep=10) freq b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm guess=read empiricaldispersion=gd3 geom=checkpoint scf=maxcyc=512

Opt freq

1 1

16 38 A

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

Au 0
SDD





