%nprocshared=24
%mem=41GB
%chk=TS2SM8.chk
#p opt=(modredundant,loose) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Loose preopt

1 1
 P                 -0.56848666   -0.02486786   -3.52183407
 Au                 0.51255867    0.00980911   -1.43923134
 C                 -2.01015992    1.10567776   -3.65382571
 H                 -1.68351209    2.13612069   -3.48735967
 H                 -2.46560771    1.02413115   -4.64629901
 H                 -2.74899266    0.84376522   -2.89109044
 C                 -1.23872395   -1.67546579   -3.96967617
 H                 -1.96094747   -1.99172475   -3.21165046
 H                 -1.73041085   -1.63662841   -4.94733617
 H                 -0.42210984   -2.40225131   -4.00099961
 C                  0.50700771    0.43611947   -4.93716800
 H                  1.35446497   -0.25308708   -4.99100680
 H                 -0.05754134    0.39266165   -5.87431925
 H                  0.88817411    1.45054700   -4.78907407
 C                  1.51304832    0.03686842    0.41060369
 C                  0.75523343   -0.77899011    1.35928892
 H                  0.75462223   -1.83794764    1.10013160
 C                  2.65421302    0.70860087    0.59541686
 H                  3.12105051    1.27451145   -0.20566487
 H                  3.18272782    0.72325336    1.54881973
 C                 -0.57592852   -0.30933565    1.82359671
 C                 -0.89556605    1.06047983    1.85383943
 C                 -1.52122252   -1.23902864    2.28715284
 C                 -2.13116529    1.48613499    2.33922375
 H                 -0.17526274    1.78240892    1.48127356
 C                 -2.75879536   -0.81263688    2.76964591
 H                 -1.27900862   -2.29836582    2.27690924
 C                 -3.06522200    0.55063467    2.80079858
 H                 -2.36902576    2.54577798    2.35331060
 H                 -3.48065461   -1.54246437    3.12390578
 H                 -4.02759948    0.88393009    3.17791063
 C                  1.70357400    1.11893715    4.04257014
 H                  0.93758691    1.80116915    3.65004234
 H                  1.84641749    1.36083278    5.10085528
 H                  2.63313472    1.29649732    3.50387339
 C                  1.77092137   -1.17604608    2.92930138
 H                  2.77577193   -0.99718999    2.56629886
 H                  1.48119651   -2.21576029    3.04455169
 C                  1.24641195   -0.28869511    3.87763807
 O                  0.21583382   -0.73544987    4.55654928
 C                 -0.59564960    0.13749809    5.38057179
 H                 -1.36413600   -0.51040143    5.79708898
 H                  0.00400048    0.57673534    6.18049294
 H                 -1.05370374    0.91065851    4.75985906

16 36 F

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

Au 0
SDD

--link1--
%nprocshared=24
%mem=41GB
%chk=TS2SM8.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



