%nprocshared=24
%mem=41GB
%chk=TS2SM7.chk
#p opt=(modredundant,loose) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Loose preopt

1 1
 P                 -0.01990043   -0.50972972   -3.16842054
 Au                 0.57643002    0.21275018   -1.02080528
 C                 -1.64949998    0.13161037   -3.72332644
 H                 -1.62773403    1.22505818   -3.72639946
 H                 -1.88056594   -0.23116034   -4.73017112
 H                 -2.42581820   -0.20177169   -3.02863966
 C                 -0.16299908   -2.33435384   -3.32301473
 H                 -0.91493248   -2.70073595   -2.61820521
 H                 -0.45362953   -2.60957148   -4.34207837
 H                  0.79875328   -2.79597848   -3.08234218
 C                  1.15057145   -0.02112347   -4.49576566
 H                  2.13849211   -0.43880320   -4.28180165
 H                  0.80202154   -0.38990407   -5.46618219
 H                  1.22989362    1.06919731   -4.52836114
 C                  1.10545392    0.89676929    0.90294126
 C                  0.28787313    0.19751385    1.89597630
 H                  0.65286758   -0.82014616    2.05322349
 C                  2.10073501    1.77270784    1.08118389
 H                  2.68449562    2.14761230    0.24539818
 H                  2.38458094    2.16156561    2.05871860
 C                 -1.20240502    0.22255869    1.77539974
 C                 -1.87455269    1.33064554    1.23237725
 C                 -1.95026192   -0.87601874    2.22356323
 C                 -3.26541822    1.33521982    1.13843796
 H                 -1.30090637    2.17602656    0.86390308
 C                 -3.34300273   -0.87131145    2.12960835
 H                 -1.43889623   -1.73749330    2.64640118
 C                 -4.00323489    0.23422934    1.58738309
 H                 -3.77376642    2.19496411    0.71182357
 H                 -3.90994509   -1.73003338    2.47673906
 H                 -5.08664241    0.23818758    1.51205142
 C                  0.49602788   -1.58061986    4.85820848
 H                  0.11356395   -2.20869305    4.03755176
 H                  1.08470130   -2.22534422    5.51588639
 H                 -0.37465231   -1.19044933    5.39247607
 C                  0.75927923    0.65757330    3.72509643
 H                 -0.22323463    0.96506658    4.07436286
 H                  1.44513528    1.47294728    3.50945707
 C                  1.32613265   -0.50031795    4.25990152
 C                  2.78495007   -0.75931217    4.14222970
 H                  2.95631946   -1.75155696    3.70480887
 H                  3.30888387   -0.00405446    3.55521045
 H                  3.21365707   -0.79087126    5.15489173

16 36 F

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

Au 0
SDD

--link1--
%nprocshared=24
%mem=41GB
%chk=TS2SM7.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 36 A

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

Au 0
SDD



