%nprocshared=24
%mem=41GB
%chk=TS2SM5.chk
#p opt=(modredundant,loose) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Loose preopt

1 1
 P                 -0.45100866   -0.33922072   -4.45823420
 Au                 0.18802617    0.06555113   -2.23194794
 C                 -1.26629309    1.09704510   -5.26166963
 H                 -0.58475819    1.95240036   -5.25513023
 H                 -1.53614205    0.85456839   -6.29465098
 H                 -2.16817281    1.36268314   -4.70282127
 C                 -1.64238875   -1.72178520   -4.66837125
 H                 -2.55598072   -1.50247694   -4.10828835
 H                 -1.88938882   -1.85621533   -5.72651937
 H                 -1.20382610   -2.64487834   -4.27867639
 C                  0.94718796   -0.75784784   -5.57364918
 H                  1.43897063   -1.66819783   -5.21888179
 H                  0.58741961   -0.91412499   -6.59589364
 H                  1.67434957    0.05913714   -5.56637079
 C                  0.76919952    0.48712682   -0.27481878
 C                 -0.17645791    0.25420425    0.78216692
 H                 -1.03489003   -0.36248794    0.52061095
 C                  2.05260220    0.88784111   -0.01283468
 H                  2.75127230    1.09647374   -0.81811611
 H                  2.44160840    1.04352259    0.99035911
 C                 -0.39362028    1.06532093    1.97731531
 C                  0.30350091    2.26430397    2.24158498
 C                 -1.36918459    0.63566965    2.90759772
 C                  0.06522278    2.97576038    3.41403050
 H                  0.99731572    2.65796727    1.50887477
 C                 -1.60097092    1.34578446    4.07855863
 H                 -1.93664682   -0.26995154    2.70632733
 C                 -0.87702552    2.51598511    4.33909825
 H                  0.60414968    3.89974925    3.59995296
 H                 -2.34630166    0.99609514    4.78630579
 H                 -1.06183454    3.07666460    5.25058890
 C                  0.73560690   -1.40284820    1.61756881
 H                  1.34831919   -2.12741144    1.12310772
 H                 -0.17236573   -1.86605324    1.94303276
 C                  1.39054315   -0.91288395    2.67607476
 C                  0.68358710   -1.14488755    4.02440240
 C                  0.73145105   -0.16363327    5.01501862
 C                 -0.00466046   -2.33592395    4.25526108
 C                  0.09175217   -0.37373379    6.23643783
 H                  1.27478328    0.77492790    4.83298890
 C                 -0.64543864   -2.54583501    5.47663349
 H                 -0.04263554   -3.10933782    3.47454481
 C                 -0.59722917   -1.56505835    6.46723432
 H                  0.12996436    0.39939447    7.01753260
 H                 -1.18836226   -3.48484211    5.65822046
 H                 -1.10158175   -1.73046599    7.43033615
 H                  2.30149032   -0.35499731    2.61412516

16 32 F

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

Au 0
SDD

--link1--
%nprocshared=24
%mem=41GB
%chk=TS2SM5.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 32 A

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

Au 0
SDD



