%nprocshared=20
%mem=41GB
%chk=ch4cis
#p opt=(calcfc,modredundant,maxstep=7) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

preopt

1 1
 C                 -0.26863014    1.90762042    0.00957331
 C                  0.92674667    1.49807575    0.70310420
 C                  1.16637856   -0.10456727   -1.22583815
 H                  2.18235030   -0.35023864   -1.55641580
 H                  0.46117000   -0.38085858   -2.01117817
 C                  1.05565259    1.37972056   -0.91803004
 H                  1.08963104    2.10693130   -1.71896875
 C                  2.15677253    2.07193472    0.21637670
 C                  1.01598494    0.05746226    1.21586360
 H                  0.22585155   -0.12548338    1.94442288
 H                  1.99024780   -0.11999817    1.68179399
 H                 -0.30281991    2.97066993   -0.22307865
 H                  2.12710658    3.14825139    0.05143237
 C                  3.47380595    1.39186219    0.16397823
 C                  3.58044047   -0.00208981    0.09492899
 C                  4.65092613    2.16207847    0.13181828
 C                  4.82458282   -0.62721154    0.00844565
 H                  2.68360681   -0.61453272    0.08706345
 C                  5.89313920    1.55377488    0.05317837
 H                  4.58765582    3.24642157    0.17221423
 C                  5.99163987    0.15089479   -0.00731604
 H                  4.86982020   -1.70755095   -0.05297880
 H                  6.80611336    2.13974182    0.03080140
 O                  7.25006333   -0.34543233   -0.08624316
 C                  7.42321621   -1.76145372   -0.16200976
 H                  8.49988333   -1.92527281   -0.21823434
 H                  7.02314725   -2.25864907    0.72983305
 H                  6.94307903   -2.17297089   -1.05798153
 Au                -2.08528878    0.89119923   -0.00705641
 P                 -4.10404037   -0.29572050   -0.02778642
 C                 -5.63109795    0.72421885   -0.06780903
 C                 -4.25146116   -1.42778005   -1.46466564
 C                 -4.30353562   -1.38430851    1.43616212
 H                 -5.62856029    1.35190380   -0.96358251
 H                 -6.51873395    0.08312569   -0.07570882
 H                 -5.65958364    1.37118033    0.81380698
 H                 -4.27359306   -0.84230203   -2.38846616
 H                 -5.16702750   -2.02338948   -1.38805842
 H                 -3.37648325   -2.08243171   -1.48528921
 H                 -5.22389863   -1.97139177    1.35173976
 H                 -3.43690686   -2.04716687    1.49872974
 H                 -4.34362020   -0.77257955    2.34226860
 N                  0.83331344   -0.79267698    0.02900458
 S                 -0.20143770   -2.11539936    0.05400705
 O                 -0.96676556   -2.06056506    1.30851126
 O                 -0.90208413   -2.17527644   -1.23745850
 C                  0.91490681   -3.52056217    0.14317901
 H                  1.51213567   -3.42722603    1.05192741
 H                  0.30233450   -4.42458655    0.17228301
 H                  1.54880565   -3.51322755   -0.74538390

1 6 F
2 6 F
8 6 F

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

Au 0
SDD


--link1--
%nprocshared=20
%mem=41GB
%chk=ch4cis
#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 6 A
2 6 A
8 6 A

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

Au 0
SDD



