%nprocshared=20
%mem=41GB
%chk=ch4exo
#p opt=(calcfc,modredundant,maxstep=7) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

preopt

1 1
 C                  1.87803267    0.02259421    0.79411652
 C                  1.41217903    1.37258670    1.08218776
 C                  1.19251264    3.31998262   -0.32525943
 H                  0.90638020    3.22363772   -1.37772085
 H                  1.66602349    4.29363583   -0.20267257
 C                  2.11407589    2.18920846    0.11502091
 H                  3.14764366    2.45369629    0.33727490
 C                  2.30089550    0.61959034   -0.74879928
 C                  0.15405253    1.98053345    1.54352209
 H                  0.36714014    2.39200949    2.55038616
 H                 -0.67774722    1.28806136    1.65146534
 H                  2.79816003   -0.28232240    1.30294141
 H                  3.34553838    0.47711251   -1.02843158
 C                  1.39184883    0.41084810   -1.92804559
 C                  0.00164920    0.28050298   -1.83360397
 C                  1.96317227    0.37991126   -3.21164803
 C                 -0.80056767    0.10956094   -2.96246474
 H                 -0.48954735    0.29929075   -0.86608167
 C                  1.18112232    0.20922445   -4.34749129
 H                  3.03893596    0.48969900   -3.32340193
 C                 -0.21115320    0.07197914   -4.23343981
 H                 -1.87239575    0.01709635   -2.83699816
 H                  1.62814319    0.18207283   -5.33609518
 O                 -0.89125370   -0.08884032   -5.39953323
 C                 -2.31105268   -0.21176461   -5.34333483
 H                 -2.64191376   -0.32051543   -6.37703244
 H                 -2.61323432   -1.09689775   -4.76908732
 H                 -2.77192167    0.68199595   -4.90456801
 Au                 0.54269095   -1.61953063    1.01279528
 P                 -0.92676106   -3.43477137    1.12708426
 C                 -0.18316282   -5.02941188    0.60328308
 C                 -1.63326830   -3.76678549    2.78856600
 C                 -2.38833458   -3.22262915    0.03511211
 H                  0.65544144   -5.27464593    1.26112760
 H                 -0.92859163   -5.83001259    0.64869823
 H                  0.18895091   -4.93653926   -0.42109058
 H                 -0.82621664   -3.99830665    3.48927730
 H                 -2.32875016   -4.61123061    2.74175298
 H                 -2.16328281   -2.87847248    3.14365106
 H                 -3.04177992   -4.09904841    0.09779696
 H                 -2.94381775   -2.33154184    0.34140729
 H                 -2.05305822   -3.08934954   -0.99727907
 N                 -0.09617840    3.18079951    0.57668289
 S                 -0.96794332    4.36311273    1.45204649
 O                 -1.06978819    3.90625565    3.05510894
 O                 -0.18028931    5.83147604    1.34064469
 C                 -2.60637636    4.51569181    0.77332948
 H                 -3.18828929    3.66167513    1.05069721
 H                 -3.06929028    5.40182050    1.15462545
 H                 -2.54644985    4.57529862   -0.29332690

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=ch4exo
#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



