%nprocshared=24
%mem=41GB
%chk=TS2SM11.chk
#p opt=(modredundant,loose) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Loose preopt

1 1
 P                  0.82757292   -0.33548632   -3.58978608
 Au                 0.48765690    0.21073808   -1.33889385
 C                 -0.44585422    0.35268529   -4.71779997
 H                 -0.44282011    1.44403744   -4.64827745
 H                 -0.23761856    0.05240128   -5.75009234
 H                 -1.43164449   -0.01723571   -4.42284193
 C                  0.81937826   -2.14272915   -3.90792338
 H                 -0.14222733   -2.56264532   -3.59982350
 H                  0.97845451   -2.33770513   -4.97350360
 H                  1.61455008   -2.61870329   -3.32729152
 C                  2.42744383    0.26027246   -4.26010163
 H                  3.24897416   -0.17260688   -3.68283363
 H                  2.52711802   -0.03041844   -5.31087024
 H                  2.47393457    1.34968979   -4.17752994
 C                  0.24195838    0.81605788    0.69275924
 C                 -0.63024267   -0.19758680    1.11279169
 H                 -0.19281356   -1.17279779    1.31884676
 C                  0.81028233    1.88752029    1.23811620
 H                  1.45510954    2.55638758    0.67732157
 H                  0.64793623    2.11985963    2.29110532
 C                 -2.07985595   -0.15971710    0.96533950
 C                 -2.75186153    1.04499719    0.67041290
 C                 -2.82964215   -1.32473659    1.21668451
 C                 -4.14186328    1.08047273    0.64113623
 H                 -2.17278405    1.94099289    0.46820513
 C                 -4.22144385   -1.28491101    1.18173056
 H                 -2.31693132   -2.25161861    1.45811223
 C                 -4.87809750   -0.08298578    0.89843082
 H                 -4.65488995    2.01138631    0.42077346
 H                 -4.79356335   -2.18536202    1.38204053
 H                 -5.96331115   -0.05141768    0.87837591
 H                 -1.67701364   -0.06918613    4.00700115
 H                 -0.47081483    0.99344488    3.65525651
 N                 -0.78544096    0.02927344    3.52327155
 N                  0.17037598   -0.79107052    4.17106648
 H                  0.32187795   -1.66973802    3.68543121
 C                  1.32605922   -0.15355691    4.58138046
 O                  1.41757550    1.05345329    4.74217324
 O                  2.29922733   -1.05319605    4.78878919
 C                  3.56085209   -0.50477783    5.21945690
 H                  3.44585689    0.01736823    6.17237018
 H                  4.22371369   -1.36230924    5.32940727
 H                  3.94877214    0.18465623    4.46567279

16 34 F

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

Au 0
SDD

--link1--
%nprocshared=24
%mem=41GB
%chk=TS2SM11.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 34 A

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

Au 0
SDD




