%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                 -0.26661177   -0.24786668   -3.78360906
 Au                 0.05110803    0.15685723   -1.48930983
 C                 -1.89603150    0.32102917   -4.41162621
 H                 -1.99623661    1.39657825   -4.24040025
 H                 -1.98646964    0.11300896   -5.48270623
 H                 -2.69446716   -0.19611886   -3.87188507
 C                 -0.18159721   -2.01942847   -4.26253491
 H                 -0.95636250   -2.57763140   -3.72906746
 H                 -0.33182847   -2.13155261   -5.34124556
 H                  0.79631466   -2.42573207   -3.98884531
 C                  0.96054319    0.58526163   -4.86727919
 H                  1.96580559    0.22986194   -4.62317723
 H                  0.74644295    0.37446238   -5.92016301
 H                  0.91975707    1.66511945   -4.69838571
 C                  0.29893643    0.57257287    0.53839939
 C                 -0.15562158   -0.39995597    1.49406895
 H                 -0.36349983   -1.39195972    1.09614725
 C                  0.96209931    1.70567877    0.92906048
 H                  1.27116919    2.45359536    0.20432452
 H                  1.19648500    1.93904962    1.96470604
 C                 -0.79888085   -0.15011069    2.78140896
 C                 -1.10949207    1.14183911    3.25865430
 C                 -1.14680030   -1.26407507    3.58127565
 C                 -1.70046315    1.30987839    4.50769039
 H                 -0.92734351    2.00674026    2.63256970
 C                 -1.73226184   -1.09227870    4.82901689
 H                 -0.94174358   -2.26797174    3.21683617
 C                 -2.00389475    0.19840651    5.29986148
 H                 -1.93970862    2.30926194    4.85806011
 H                 -1.98343863   -1.95807662    5.43400512
 H                 -2.46825431    0.33470356    6.27203656
 C                  2.26350153    0.99857817    3.38105229
 H                  1.37248641    1.58179186    3.62672091
 H                  3.01541425    1.10818570    4.16293841
 H                  2.67307976    1.32266558    2.42405151
 C                  1.69581647   -1.06204178    2.12661127
 H                  2.60665479   -1.08017174    1.56541178
 H                  1.38104118   -2.06463841    2.32814664
 C                  1.89625047   -0.41699591    3.28124685
 C                  1.63089857   -1.26611846    4.53829866
 H                  0.62311769   -1.62520238    4.51995681
 H                  2.30520311   -2.09670917    4.55653248
 H                  1.78000714   -0.66641832    5.41181247

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




