%nprocshared=24
%mem=41GB
%chk=TS2SM15b.chk
#p opt=(modredundant,loose) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Loose preopt

1 1
 P                 -1.77710986    0.06532732   -3.50444653
 Au                -0.64271035   -0.36550301   -1.49892626
 C                 -3.01042097    1.41922042   -3.38918444
 H                 -2.51262094    2.33813287   -3.06720293
 H                 -3.48403513    1.58263185   -4.36266128
 H                 -3.77390525    1.15507553   -2.65215347
 C                 -2.70794738   -1.36129348   -4.18735781
 H                 -3.46896979   -1.68000809   -3.46951585
 H                 -3.19086827   -1.07899656   -5.12871475
 H                 -2.02086412   -2.19319802   -4.36564473
 C                 -0.64039747    0.57554943   -4.85284707
 H                  0.08089243   -0.22466082   -5.04084378
 H                 -1.20388170    0.78237418   -5.76851537
 H                 -0.09589435    1.47388079   -4.54855805
 C                  0.49188817   -0.65639119    0.26810524
 C                 -0.51903004   -1.08725611    1.14945821
 H                 -0.87920572   -2.11307723    1.08588299
 C                  1.79483035   -0.40529376    0.46025082
 H                  2.16329796   -0.55599313    1.47880335
 H                 -1.26565662   -0.37352762    1.49609886
 C                  2.78395182    0.08589442   -0.51342908
 C                  3.82766749    0.90943300   -0.05480894
 C                  2.74348120   -0.23752576   -1.88233065
 C                  4.77012774    1.43317454   -0.94048545
 H                  3.88762780    1.14995422    1.00406266
 C                  3.68655107    0.28373736   -2.76805998
 H                  1.98506967   -0.92476844   -2.24717253
 C                  4.69952400    1.12782657   -2.30259743
 H                  5.56166359    2.07689643   -0.56656148
 H                  3.64010351    0.01709103   -3.82061882
 H                  5.43604504    1.53019644   -2.99241370
 C                 -0.75357931   -2.32524415    4.88581911
 C                  0.02398528   -3.27665823    4.36206865
 C                  0.70736038   -2.67975908    3.18020558
 N                 -0.56478235   -1.12909464    4.11903456
 H                 -1.41085431   -2.30275381    5.74339600
 H                  0.14868037   -4.29499921    4.69857139
 N                  0.31674388   -1.33955949    3.08859451
 O                  1.46145912   -3.23391842    2.39003792
 C                 -1.11668716    0.02236271    4.44794868
 H                 -1.81644168   -0.06104993    5.27268887
 C                 -0.90482868    1.33146848    3.89812180
 C                  0.06267908    1.66929632    2.91962662
 C                 -1.71921250    2.35822966    4.43988349
 C                  0.19381974    2.98844017    2.50515600
 H                  0.68640943    0.90809962    2.47713268
 C                 -1.58170626    3.67175222    4.01238069
 H                 -2.45943772    2.11162862    5.19590367
 C                 -0.62283283    3.99022022    3.04362993
 H                  0.93817019    3.23685761    1.75467109
 H                 -2.21516343    4.44648535    4.43211195
 H                 -0.51014105    5.01737972    2.71009532

16 38 F

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

Au 0
SDD

--link1--
%nprocshared=24
%mem=41GB
%chk=TS2SM15b.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 38 A

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

Au 0
SDD


