%nprocshared=24
%mem=41GB
%chk=TS2SM6.chk
#p opt=(modredundant,loose) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Loose preopt

1 1
 P                 -0.46058730   -0.33287938   -4.55106865
 Au                 0.14198790    0.06449510   -2.31331242
 C                 -1.24078795    1.11394349   -5.37024337
 H                 -0.54779433    1.95985302   -5.35121394
 H                 -1.49447913    0.87453782   -6.40802446
 H                 -2.14927510    1.39231220   -4.82855707
 C                 -1.66671260   -1.69906983   -4.78304717
 H                 -2.58756937   -1.46686472   -4.24032913
 H                 -1.89560162   -1.83076937   -5.84560210
 H                 -1.24829372   -2.62785485   -4.38482076
 C                  0.95244099   -0.77140185   -5.63983038
 H                  1.42489739   -1.68819889   -5.27552922
 H                  0.60983876   -0.92337315   -6.66860052
 H                  1.69050721    0.03551428   -5.61918934
 C                  0.69200867    0.47929487   -0.34576029
 C                 -0.27646775    0.26007097    0.69334219
 H                 -1.13823310   -0.34492962    0.41592328
 C                  1.97565013    0.86249630   -0.05983840
 H                  2.69214003    1.06098902   -0.85191700
 H                  2.34783223    1.01345786    0.95043454
 C                 -0.50488204    1.07486146    1.88388527
 C                  0.20357537    2.26431700    2.16076132
 C                 -1.50358147    0.65925747    2.79581952
 C                 -0.04689311    2.97973239    3.32824645
 H                  0.91639231    2.64793609    1.44107914
 C                 -1.74755046    1.37324120    3.96194292
 H                 -2.07956390   -0.23860606    2.58425813
 C                 -1.01260193    2.53354594    4.23560505
 H                  0.50110294    3.89634431    3.52391895
 H                 -2.51079512    1.03428412    4.65568081
 H                 -1.20678398    3.09729656    5.14324465
 C                  2.49816379   -0.18024417    2.55515736
 H                  2.28498987    0.88724196    2.65226285
 H                  3.14031096   -0.51397623    3.37063413
 H                  2.97881513   -0.38220609    1.59764854
 C                  0.59684881   -1.40882757    1.54638217
 H                  1.20872336   -2.14206166    1.06380853
 H                 -0.32336821   -1.85929861    1.85488900
 C                  1.23844746   -0.92723517    2.61683125
 C                  0.50314302   -1.14863499    3.95171307
 C                  0.54586883   -0.16749725    4.94267960
 C                 -0.20564231   -2.32994957    4.17004161
 C                 -0.11950948   -0.36800191    6.15193199
 H                  1.10538702    0.76338939    4.77054231
 C                 -0.87209615   -2.53024998    5.37922684
 H                 -0.23956894   -3.10326811    3.38904453
 C                 -0.82903120   -1.54959458    6.37018466
 H                 -0.08535686    0.40502802    6.93331207
 H                 -1.43120365   -3.46158842    5.55092931
 H                 -1.35362873   -1.70743659    7.32369380

16 36 F

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

Au 0
SDD

--link1--
%nprocshared=24
%mem=41GB
%chk=TS2SM6.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





