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

Loose preopt

1 1
 P                 -0.09712071    0.49092332   -2.90833065
 Au                 0.47774584    0.47129996   -0.62417222
 C                 -1.12991536    1.93107527   -3.39761435
 H                 -0.58359886    2.85641758   -3.19287956
 H                 -1.37751358    1.88306063   -4.46318140
 H                 -2.05187986    1.93237037   -2.80902928
 C                 -1.07459166   -0.96884955   -3.45069239
 H                 -1.99737848   -1.02625422   -2.86619667
 H                 -1.32186181   -0.89206495   -4.51484120
 H                 -0.49439155   -1.88004635   -3.27835999
 C                  1.32171052    0.53887609   -4.07567002
 H                  1.94879587   -0.34459807   -3.92490898
 H                  0.96446388    0.55862310   -5.11059341
 H                  1.92291277    1.43188493   -3.88222563
 C                  0.92507956    0.47532214    1.40346933
 C                  0.31153700   -0.67700062    2.18360962
 H                  1.02126981   -0.95841844    2.97040033
 C                  1.51256361    1.50375331    2.03218264
 H                  1.92044121    2.33233654    1.45883419
 H                  1.70469103    1.57580395    3.10452050
 C                  0.09957233   -1.92819457    1.33201552
 C                 -0.33579568   -1.83659100    0.00391342
 C                  0.34181821   -3.19294804    1.88418965
 C                 -0.52501967   -2.99098258   -0.75773045
 H                 -0.51738796   -0.85965779   -0.43179628
 C                  0.15390397   -4.34874050    1.12350833
 H                  0.68603449   -3.27595543    2.91310104
 C                 -0.27985008   -4.24934006   -0.20111199
 H                 -0.86227436   -2.90661239   -1.78701454
 H                  0.35078403   -5.32244634    1.56321882
 H                 -0.42385801   -5.14671618   -0.79622526
 N                 -0.36110830    1.09813552    3.37231881
 C                  0.37615521    0.79653061    4.60088597
 H                  1.20459427    0.13001435    4.35176657
 H                  0.75940278    1.72594219    5.02178933
 H                 -0.30046121    0.31456857    5.30887882
 C                 -1.09863929    0.08197957    2.59641265
 H                 -1.99102293   -0.19545051    3.16998882
 C                 -1.57087271    0.89499528    1.40789141
 O                 -2.20585994    0.64111800    0.44336703
 O                 -1.12051311    2.26289839    1.66088267
 C                 -0.33196920    2.20770851    2.74547531
 H                  0.11775015    3.12600877    3.10468205

16 37 F
18 42 F

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

Au 0
SDD

--link1--
%nprocshared=24
%mem=41GB
%chk=ZZt.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 37 A
18 42 A

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

Au 0
SDD




