%nprocshared=24
%mem=41GB
%chk=TS2SM10.chk
#p opt=(modredundant,loose) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Loose preopt

1 1
 P                 -0.61653610   -0.65936198   -3.63730728
 Au                 0.28631717   -0.47065108   -1.48784970
 C                 -0.39012168    0.85620060   -4.64650738
 H                  0.67735611    1.07254404   -4.74359015
 H                 -0.82645998    0.71713595   -5.64088234
 H                 -0.87724731    1.69929075   -4.14881896
 C                 -2.42225964   -0.98253026   -3.66282285
 H                 -2.94525265   -0.16130050   -3.16468598
 H                 -2.77450356   -1.06662341   -4.69623218
 H                 -2.63446332   -1.91242916   -3.12835429
 C                  0.12756950   -2.00948141   -4.63134167
 H                 -0.03291895   -2.96660805   -4.12731430
 H                 -0.32932049   -2.03920888   -5.62580773
 H                  1.20328524   -1.83853157   -4.72976153
 C                  1.26912797   -0.32010240    0.40906355
 C                  0.25197879    0.37010877    1.07894033
 H                 -0.58121493   -0.22430601    1.45084721
 C                  2.48628225   -0.79797230    0.64639579
 H                  3.06591994   -1.31373632   -0.11247596
 H                  2.95012328   -0.69081576    1.62593372
 C                  0.04306072    1.80746804    1.03181114
 C                  1.08236114    2.68307680    0.65854939
 C                 -1.20050590    2.33753748    1.42642910
 C                  0.87661601    4.05730353    0.67971609
 H                  2.04346623    2.27263145    0.36669848
 C                 -1.40647042    3.71445148    1.43204056
 H                 -1.99845302    1.66301919    1.72624805
 C                 -0.36807445    4.57439369    1.06041231
 H                  1.68379056    4.72932930    0.40553821
 H                 -2.36872552    4.11806674    1.73175426
 H                 -0.52577811    5.64892985    1.07203733
 H                  0.86862965    1.37185228    3.77898567
 H                  1.99452526    0.21579452    3.37338404
 C                  0.28543859   -0.54959191    4.19976490
 C                  0.76422596   -1.86532014    4.29480141
 C                 -0.96727729   -0.23257025    4.75013004
 C                 -0.00198700   -2.84431116    4.92425629
 H                  1.72761832   -2.11912545    3.86160346
 C                 -1.72006833   -1.21630428    5.38901707
 H                 -1.35033269    0.78145500    4.66990491
 C                 -1.24695614   -2.52882595    5.47543597
 H                  0.37853024   -3.86024754    4.98296040
 H                 -2.68533175   -0.95513578    5.81400491
 H                 -1.84017865   -3.29478672    5.96586501
 N                  1.00404009    0.41478418    3.47076303

16 45 F

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

Au 0
SDD

--link1--
%nprocshared=24
%mem=41GB
%chk=TS2SM10.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 45 A

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

Au 0
SDD


