%nprocshared=24
%mem=41GB
%chk=tsb2a
#p opt=(loose,modredundant) b3lyp genecp nosymm empiricaldispersion=gd3 scf=maxcyc=512 scrf=(pcm,solvent=dichloromethane)

Preopt

1 1
 P                  0.12866098   -0.04195960   -3.76715943
 Au                 0.47182365    0.15072402   -1.45490870
 C                 -1.49027274    0.61940168   -4.32745937
 H                 -1.55703887    1.68130090   -4.07494544
 H                 -1.59745874    0.49364333   -5.40986236
 H                 -2.29720835    0.08533947   -3.81770117
 C                  0.16594213   -1.76421848   -4.40251578
 H                 -0.60784064   -2.35406473   -3.90309419
 H                 -0.01143915   -1.77079236   -5.48303795
 H                  1.14155078   -2.21075824   -4.19123533
 C                  1.37556200    0.85080468   -4.77634053
 H                  2.36976737    0.44806549   -4.56284459
 H                  1.15702453    0.73428282   -5.84277696
 H                  1.36310025    1.91303012   -4.51617284
 C                  0.78503616    0.40441403    0.60577796
 C                 -0.04654145   -0.56587733    1.29972888
 H                  0.21663689   -1.60391083    1.10309396
 C                  1.56086805    1.35624086    1.13645274
 H                  2.11885044    2.04813566    0.51302874
 H                  1.66911113    1.49805165    2.20968576
 C                 -1.50992780   -0.35055229    1.40670654
 C                 -2.04808764    0.94639230    1.41805053
 C                 -2.36307496   -1.45971432    1.51881855
 C                 -3.42393498    1.12779026    1.53247290
 H                 -1.38430643    1.80058542    1.33312153
 C                 -3.74023610   -1.27552829    1.62767240
 H                 -1.94480191   -2.46295461    1.52091944
 C                 -4.27093745    0.01827040    1.63439217
 H                 -3.83779602    2.13156941    1.54115511
 H                 -4.39735083   -2.13605321    1.70846467
 H                 -5.34411639    0.16251715    1.71939734
 C                  2.04746558   -0.12713633    4.53006358
 C                  0.90763597    0.68366227    4.87946670
 N                  1.70205304   -0.86264787    3.48991970
 H                  3.02156488   -0.16971816    4.98906881
 O                 -0.06673013    0.28799734    3.92293764
 O                  0.67837051    1.51422765    5.71968121
 C                  2.54083807   -1.80753529    2.73820253
 H                  2.76842635   -1.35329798    1.77154362
 H                  3.45241351   -1.97748615    3.30778415
 H                  1.98733695   -2.73817720    2.61462765
 C                  0.43143633   -0.70702888    3.12042291
 H                  0.17146994   -1.57268785    3.69309387

16 42 F

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

Au 0
SDD


--link1--
%nprocshared=24
%mem=41GB
%chk=tsb2a
#p opt=(ts,calcfc,noeigentest,maxstep=10,modredundant) freq b3lyp genecp nosymm empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) scf=maxcyc=512 guess=read geom=checkpoint

Opt freq

1 1

16 42 A

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

Au 0
SDD




