%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                 -0.27644397   -0.08043961   -4.10565031
 Au                 0.31477953    0.08565636   -1.83613300
 C                 -1.63455543    1.03721651   -4.63561748
 H                 -1.34344982    2.07534817   -4.45252646
 H                 -1.84332551    0.90029242   -5.70175585
 H                 -2.53635547    0.81793742   -4.05685620
 C                 -0.83499316   -1.75512150   -4.61430220
 H                 -1.72226941   -2.03415308   -4.03898846
 H                 -1.07409872   -1.77054645   -5.68299937
 H                 -0.04152673   -2.47948990   -4.40913972
 C                  1.10093464    0.30488216   -5.25940941
 H                  1.93374918   -0.38038449   -5.07723707
 H                  0.76571165    0.20241293   -6.29687442
 H                  1.44664822    1.32826648   -5.08839678
 C                  0.91204110    0.24701550    0.16244057
 C                  0.15727345   -0.65096237    1.04548750
 H                 -0.06168847   -1.61830508    0.60076553
 C                  1.81908531    1.15262793    0.55833235
 H                  2.27904544    1.84322232   -0.14304747
 H                  2.11580815    1.28538635    1.59968178
 C                 -0.97582572   -0.13521951    1.85009997
 C                 -1.06879507    1.21659237    2.23248839
 C                 -1.95969107   -1.03482202    2.29938450
 C                 -2.11010367    1.64794521    3.05137442
 H                 -0.32916582    1.92528804    1.87629494
 C                 -3.00607746   -0.60077257    3.11186461
 H                 -1.89214512   -2.08287491    2.01972505
 C                 -3.07989550    0.74075001    3.49633129
 H                 -2.17164640    2.69386787    3.33758216
 H                 -3.75770865   -1.30851093    3.44840627
 H                 -3.89222432    1.08099164    4.13186540
 H                  2.26357331   -1.39754819    1.71879796
 H                  0.82664944   -2.45542044    2.17030388
 C                  1.18917342   -0.84062099    3.47825405
 C                  0.22425410   -1.26616231    4.39166345
 C                  2.02309934    0.23203136    3.79374198
 C                  0.09291036   -0.61870716    5.61998442
 H                 -0.43355610   -2.11135915    4.14232469
 C                  1.89250282    0.87916169    5.02279722
 H                  2.78377869    0.56744092    3.07402234
 C                  0.92752117    0.45408093    5.93584364
 H                 -0.66804527   -0.95366557    6.33973847
 H                  2.55043090    1.72460942    5.27143955
 H                  0.82381431    0.96438354    6.90441603
 N                  1.32056013   -1.49099125    2.24388052

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



