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

opt freq

1 1
 C                  1.80056952   -1.09640413    0.18951736
 C                  1.55871597   -2.44718124   -0.33806172
 C                  1.67658941   -4.80533622    0.14245786
 H                  1.74249912   -5.34357893    1.09062843
 H                  2.15788436   -5.42345584   -0.62400099
 C                  2.36496504   -3.46884516    0.19244775
 H                  3.43998623   -3.39800523    0.30884251
 C                  1.79931336   -2.12900814    1.35943027
 C                  0.23197537   -3.01239720   -0.76663269
 H                  0.23011912   -3.02132890   -1.86460430
 H                 -0.61697896   -2.40328883   -0.44923861
 C                  0.19864980   -4.47198754   -0.23030447
 O                 -1.98573651   -4.43028954    0.66426602
 O                 -0.43583231   -6.67621947   -0.74519930
 C                 -2.94524712   -4.42258236    1.74763873
 H                 -2.77487037   -3.55639196    2.39155043
 H                 -3.92079214   -4.36261391    1.26784423
 H                 -2.85522318   -5.34019536    2.33304102
 C                 -0.92402294   -7.71581220   -1.62415818
 H                 -1.93130203   -7.47063677   -1.96881665
 H                 -0.25777972   -7.82491990   -2.48301783
 H                 -0.93121974   -8.62319049   -1.02212959
 H                  2.83535727   -0.76772956    0.06543858
 C                 -0.69942769   -4.52306341    1.01534128
 C                 -0.33962201   -5.45211609   -1.27752009
 O                 -0.60772190   -5.17178448   -2.42566783
 O                 -0.29843123   -4.58066874    2.15992164
 H                  0.84039807   -2.37964913    1.80241440
 C                  2.92844597   -2.03932830    2.37983928
 H                  2.99260157   -2.95388324    2.97488446
 H                  3.89535396   -1.83410250    1.91626551
 H                  2.68100509   -1.20287599    3.04322309
 Au                 0.36061275    0.44185048    0.07817434
 P                 -1.22100996    2.19270917   -0.07809364
 C                 -0.51430548    3.90125644   -0.13813196
 C                 -2.25004368    1.97643219   -1.66818764
 C                 -2.26829659    2.11560062    1.53246952
 C                 -1.39414200    4.99928155   -0.05061007
 C                  0.87859815    4.15825055   -0.17298890
 C                 -3.24947141    3.10718671   -1.97266272
 C                 -2.99586280    0.62984983   -1.58384567
 C                 -1.22777982    1.91467705   -2.82437467
 C                 -2.49307506    0.63042613    1.90578207
 C                 -1.40048230    2.75947667    2.63598890
 C                 -3.64316831    2.80625878    1.47915937
 C                 -0.93577999    6.31171072    0.02018320
 H                 -2.46218666    4.83337876   -0.02941915
 C                  1.32234824    5.49079208   -0.08598495
 C                  1.96531901    3.14042420   -0.32889938
 H                 -2.74243259    4.05926754   -2.14987371
 H                 -3.79367099    2.85079030   -2.89013710
 H                 -3.99016841    3.24691618   -1.18241861
 H                 -3.44747247    0.41182120   -2.55942473
 H                 -2.31935411   -0.19514205   -1.33347907
 H                 -3.80395893    0.65351922   -0.84698179
 H                 -0.65614868    2.84497401   -2.90708916
 H                 -0.52419427    1.08520313   -2.70436135
 H                 -1.76671783    1.76923499   -3.76867339
 H                 -3.02688306    0.07598351    1.13010749
 H                 -1.54910842    0.11295873    2.10418267
 H                 -3.09806865    0.59027605    2.82036232
 H                 -1.87899174    2.58733385    3.60784327
 H                 -0.40003124    2.31184179    2.67236961
 H                 -1.29022438    3.83860359    2.49814795
 H                 -4.11036632    2.72466776    2.46855698
 H                 -3.58173002    3.87059887    1.24428902
 H                 -4.31657653    2.32652003    0.76338719
 C                  0.43652219    6.55986081    0.01245625
 H                 -1.64759486    7.12900714    0.08769575
 H                  2.39207883    5.67743969   -0.10943029
 C                  2.24564250    2.59908093   -1.58979387
 C                  2.81509012    2.85932880    0.75121570
 H                  0.81523955    7.57594331    0.07508258
 C                  3.36245603    1.77560858   -1.79191216
 H                  1.59376888    2.85422760   -2.41527598
 C                  3.94143472    2.04261625    0.58884869
 H                  2.58672804    3.30771649    1.71144541
 C                  4.18665774    1.51665096   -0.68882016
 H                  3.63388055    1.41553225   -2.76225940
 H                  4.63837374    1.84964938    1.37748028
 H                  5.07189416    0.90820881   -0.83470588

1 F
2 F
3 F
4 F
5 F
6 F
7 F
8 F
9 F
10 F
11 F
12 F
13 F
14 F
15 F
16 F
17 F
18 F
19 F
20 F
21 F
22 F
23 F
24 F
25 F
26 F
27 F
28 F
29 F
30 F
31 F
32 F

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

Au 0
SDD



