%nprocshared=24
%mem=41GB
%chk=TSE2SM15.chk
#p opt=(modredundant,loose) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Loose preopt

1 1
 P                 -0.59736646    0.28832266   -3.85962278
 Au                 0.23518190   -0.21092017   -1.72887609
 C                 -1.56222311    1.84640227   -3.94575546
 H                 -0.93511955    2.68028522   -3.61830069
 H                 -1.89936664    2.02438556   -4.97216219
 H                 -2.43009018    1.77618497   -3.28422386
 C                 -1.70777169   -0.99919665   -4.55041543
 H                 -2.57394903   -1.12213226   -3.89419886
 H                 -2.04682645   -0.71108127   -5.55093018
 H                 -1.17114482   -1.95032085   -4.60779220
 C                  0.73630556    0.49062903   -5.10388303
 H                  1.31538335   -0.43457517   -5.17218320
 H                  0.30854926    0.72762990   -6.08344122
 H                  1.40267098    1.29975242   -4.79213108
 C                  1.14662834   -0.59423341    0.16592762
 C                 -0.01578139   -0.90494408    0.90490190
 H                 -0.44887414   -1.89779809    0.78543634
 C                  2.45284277   -0.50254050    0.44209614
 H                  2.74861561   -0.61280263    1.48693235
 H                 -0.75351458   -0.12673245    1.08846717
 C                 -1.33954976   -2.11830750    4.48647797
 C                 -0.83127838   -3.22533454    3.94728890
 C                  0.20316027   -2.77994497    2.95343671
 N                 -0.66395122   -1.00482461    3.86811915
 H                 -2.09741455   -1.93111581    5.23408964
 H                 -1.08885528   -4.25278492    4.15948641
 N                  0.25570760   -1.40133431    2.95485751
 O                  0.89732276   -3.51456878    2.24689491
 C                 -0.95305218    0.24012667    4.19609144
 H                 -1.72477633    0.32463735    4.95332158
 C                 -0.38209148    1.45617457    3.68127031
 C                  0.63693528    1.51804992    2.70109067
 C                 -0.89548471    2.66452968    4.21253508
 C                  1.11605426    2.75440173    2.27831955
 H                  1.02838346    0.59507508    2.29526435
 C                 -0.40865743    3.89190909    3.78144435
 H                 -1.67920692    2.62770666    4.96467834
 C                  0.60014329    3.94030339    2.81198206
 H                  1.89844048    2.79421974    1.52612326
 H                 -0.81170054    4.81023716    4.19759592
 H                  0.98186476    4.89954725    2.47424686
 H                  3.26010360   -0.29094972   -0.22757489

16 27 F

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

Au 0
SDD

--link1--
%nprocshared=24
%mem=41GB
%chk=TSE2SM15.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 27 A

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

Au 0
SDD







