%nprocshared=20
%mem=41GB
%chk=th4exo
#p opt=(calcfc,modredundant,maxstep=7) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

preopt

1 1
 C                  0.60700913   -0.33055978   -1.07838144
 C                 -0.14901932   -1.54158664   -1.07046959
 C                 -0.36769693   -3.27059471    0.57728447
 H                 -0.19632145   -3.22184308    1.65621486
 H                 -0.29252070   -4.31902673    0.27325369
 C                  0.59189154   -2.41121311   -0.22632704
 H                  1.53428752   -2.82684024   -0.57168209
 C                  1.49314081   -0.68939388    0.07249154
 C                 -1.57611642   -1.97571790   -1.18337781
 H                 -1.69035902   -2.74282635   -1.96223167
 H                 -2.30102872   -1.18340631   -1.37098193
 H                  0.94845078    0.19556695   -1.97380451
 H                  1.05501767   -0.53174858    1.05608724
 C                  2.95258870   -0.64075805    0.02280332
 C                  3.70140553   -0.57444569    1.21126717
 C                  3.65116077   -0.67407368   -1.20318971
 C                  5.09163939   -0.52050776    1.19475856
 H                  3.18266130   -0.55718425    2.16662313
 C                  5.03459218   -0.62095178   -1.23571775
 H                  3.10061963   -0.75224591   -2.13653985
 C                  5.76846603   -0.54202027   -0.03704094
 H                  5.63494690   -0.46131066    2.13003265
 H                  5.57859456   -0.64549003   -2.17440593
 O                  7.11428609   -0.49635179   -0.17787454
 C                  7.92723172   -0.42841806    0.99527731
 H                  8.95779972   -0.40493425    0.63944775
 H                  7.71805952    0.48099533    1.57104733
 H                  7.77976673   -1.30879625    1.63215902
 Au                -0.67034771    1.32103560   -0.31380635
 P                 -1.82180158    3.22464139    0.34888317
 C                 -1.08967738    4.76071433   -0.33496398
 C                 -3.57985083    3.27510940   -0.17479350
 C                 -1.84160614    3.49250107    2.16411155
 H                 -1.11084469    4.72173675   -1.42727022
 H                 -1.65998675    5.62874166    0.01138846
 H                 -0.05145999    4.84922916   -0.00356319
 H                 -3.63444131    3.22177999   -1.26578278
 H                 -4.04324795    4.20578979    0.16858600
 H                 -4.12178806    2.42428112    0.24540264
 H                 -2.37577276    4.41953308    2.39664421
 H                 -2.33203063    2.65412122    2.66555889
 H                 -0.81290780    3.56328194    2.52808499
 N                 -1.77153493   -2.67783270    0.20782259
 S                 -3.40099156   -3.17933391    0.33998783
 O                 -3.80594969   -4.11098087   -0.98550938
 O                 -3.59516744   -4.07934664    1.73324762
 C                 -4.45855246   -1.74905618    0.40533731
 H                 -4.51531200   -1.30279099   -0.56550034
 H                 -5.43780484   -2.04363812    0.72027580
 H                 -4.05826506   -1.04096608    1.10051959

1 8 F
6 8 F

C H N P S O 0
6-31G*
****
Au 0
SDD
****

Au 0
SDD


--link1--
%nprocshared=20
%mem=41GB
%chk=th4exo
#p opt=(calcfc,ts,noeigentest,maxstep=7,modredundant) geom=checkpoint guess=read freq=noraman nosymm b3lyp genecp scrf=(pcm,solvent=dichloromethane) empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

opt freq

1 1

1 8 A
6 8 A

C H N P S O 0
6-31G*
****
Au 0
SDD
****

Au 0
SDD



