%nprocshared=20
%mem=41GB
%chk=th2
#p opt=(calcfc,modredundant,maxstep=7) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

preopt

1 1
 C                  0.47305878    0.42314764   -0.42419034
 C                  0.36277696   -0.74847316    0.04593733
 C                  0.83039282   -3.51017074   -0.81277660
 H                  1.28075650   -4.31521064   -0.23318301
 H                  0.58807989   -3.93288433   -1.78995537
 C                  1.77772475   -2.35378158   -0.98202848
 H                  1.73727014   -1.84824560   -1.94279412
 C                  2.76263838   -1.93149530   -0.13032040
 C                 -0.25542339   -1.84892597    0.78970273
 H                 -1.20221073   -1.48406189    1.19896281
 H                  0.38521271   -2.12082741    1.63576467
 H                  1.26010447    0.91536136   -0.97931805
 H                  2.84455805   -2.52181114    0.78126253
 C                  3.73993550   -0.85254071   -0.18989878
 C                  4.61631101   -0.73021324    0.91012133
 C                  3.90299791    0.07919851   -1.24674858
 C                  5.59885640    0.25118974    0.97801602
 H                  4.52147347   -1.42654617    1.73942006
 C                  4.88014521    1.05835623   -1.19332380
 H                  3.27617034    0.05163266   -2.12771417
 C                  5.73909975    1.15883946   -0.08351789
 H                  6.24287675    0.30098007    1.84757029
 H                  5.00089944    1.76649280   -2.00677187
 O                  6.65727563    2.15095062   -0.13774527
 C                  7.56141127    2.30950906    0.95794732
 H                  8.19804106    3.15508997    0.69569179
 H                  7.02271915    2.53042469    1.88699427
 H                  8.17911087    1.41390273    1.09491564
 Au                -1.37649516    1.43241809   -0.11849362
 P                 -3.35512379    2.62339879    0.14467653
 C                 -3.15766386    4.43717817   -0.04220532
 C                 -4.65717238    2.15896931   -1.06137234
 C                 -4.13077284    2.39254101    1.79141660
 H                 -2.76193098    4.66043347   -1.03690092
 H                 -4.12458876    4.93458075    0.08580447
 H                 -2.45442359    4.80795337    0.70862373
 H                 -4.29592714    2.34327908   -2.07675214
 H                 -5.56177737    2.74939279   -0.88218965
 H                 -4.88683527    1.09496753   -0.95677848
 H                 -5.05092269    2.98195657    1.86032208
 H                 -4.36442894    1.33413504    1.93701880
 H                 -3.43365626    2.71069997    2.57135548
 N                 -0.50293816   -3.08645613   -0.10603140
 S                 -1.81362327   -4.15637664    0.14190944
 O                 -2.90288755   -3.46583130    1.20282906
 O                 -2.57058283   -4.45664225   -1.31608672
 C                 -1.21013011   -5.68608145    0.82323110
 H                 -0.93919022   -5.53792313    1.84770203
 H                 -1.97578675   -6.43092213    0.76092320
 H                 -0.35263950   -6.00894037    0.27062638

2 6 F
2 8 F

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

Au 0
SDD


--link1--
%nprocshared=20
%mem=41GB
%chk=th2
#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

2 6 A
2 8 A

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

Au 0
SDD


