%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                  1.23483144   -1.08645307   -0.69248378
 C                  0.62702175   -2.29950125   -1.20000347
 C                  0.56812803   -4.68991104   -0.82450409
 H                  0.84641087   -5.30964818    0.03030830
 H                  0.67587204   -5.29520609   -1.73017985
 C                  1.43219278   -3.45727236   -0.94933511
 H                  2.45506574   -3.54299055   -1.30235853
 C                  1.50360531   -2.32669841    0.32546051
 C                 -0.82362204   -2.66794787   -1.18006082
 H                 -1.16491865   -2.62365295   -2.22490150
 H                 -1.43920664   -1.96969987   -0.60945413
 C                 -0.88767835   -4.14065944   -0.68240702
 O                 -2.64077838   -3.84454672    0.86911189
 O                 -1.99554924   -6.19287996   -0.98738909
 C                 -3.20300496   -3.79800825    2.20216697
 H                 -2.67845616   -3.05160729    2.80322637
 H                 -4.24716066   -3.52200230    2.06465795
 H                 -3.11909514   -4.77832492    2.67629592
 C                 -2.87205501   -7.10434346   -1.69029143
 H                 -3.88294402   -6.69229514   -1.73193481
 H                 -2.50148671   -7.27356465   -2.70389348
 H                 -2.85308468   -8.02668807   -1.11185387
 H                  2.21680944   -0.88163848   -1.12226915
 C                 -1.34585143   -4.16304513    0.78522129
 C                 -1.86190535   -4.97475359   -1.52254082
 O                 -2.39959527   -4.60042302   -2.54222809
 O                 -0.62727447   -4.38736578    1.73822285
 H                  0.71425691   -2.48579725    1.05106884
 C                  2.86708559   -2.39523322    0.97763086
 C                  2.90000484   -2.91512533    2.27922953
 C                  4.05726723   -1.99398882    0.36222866
 C                  4.11294381   -3.01220346    2.96369348
 H                  1.97950443   -3.24802192    2.75071322
 C                  5.26752917   -2.09653147    1.04986978
 H                  4.05681071   -1.60496272   -0.65173995
 C                  5.29927789   -2.60215594    2.35212322
 H                  4.12645448   -3.41188555    3.97347080
 H                  6.18551984   -1.77893942    0.56435627
 H                  6.24290103   -2.67862450    2.88409107
 Au                 0.15008958    0.61483983   -0.07520138
 P                 -1.06014098    2.54138495    0.56917596
 C                 -0.47940336    4.13245112   -0.17474734
 C                 -2.88658565    2.34118389    0.06113619
 C                 -0.80502023    2.72633105    2.46585123
 C                 -1.03260029    5.34012716    0.29740014
 C                  0.56395137    4.20054103   -1.13089387
 C                 -3.78434607    3.56690973    0.30971020
 C                 -3.46291858    1.11487130    0.79641951
 C                 -2.87110351    2.05709375   -1.45697403
 C                 -0.80576149    1.31663579    3.10490492
 C                  0.60344351    3.33307998    2.64893206
 C                 -1.84482126    3.58572171    3.20773025
 C                 -0.57411110    6.58238481   -0.13174010
 H                 -1.83467205    5.31828426    1.02189717
 C                  1.02297620    5.46584073   -1.54133709
 C                  1.23297448    3.03967388   -1.79875336
 H                 -3.46891284    4.42761609   -0.28580338
 H                 -4.80731848    3.31480502    0.00373273
 H                 -3.82179433    3.86299029    1.36022247
 H                 -4.45187173    0.88405547    0.38176542
 H                 -2.82932671    0.22967961    0.67010213
 H                 -3.59197108    1.30102153    1.86657907
 H                 -2.44626200    2.89501222   -2.01952054
 H                 -2.30231646    1.15392399   -1.69827986
 H                 -3.90204479    1.91190302   -1.80249887
 H                 -1.74327598    0.77945482    2.94201896
 H                  0.01155612    0.69621874    2.72374494
 H                 -0.66847693    1.42660666    4.18802342
 H                  0.86713011    3.30034506    3.71312338
 H                  1.36125122    2.76183873    2.09937425
 H                  0.65090407    4.37456489    2.31919196
 H                 -1.55660106    3.64233912    4.26487843
 H                 -1.89832637    4.61158110    2.83825994
 H                 -2.84506713    3.14532758    3.16875662
 C                  0.47092529    6.64652235   -1.05295493
 H                 -1.02737149    7.48896776    0.25797027
 H                  1.82589043    5.50779219   -2.27159688
 C                  0.59511242    2.37116713   -2.85123586
 C                  2.56621230    2.73281281   -1.48877375
 H                  0.84902551    7.60573905   -1.39459232
 C                  1.26647060    1.39489004   -3.60116398
 H                 -0.42364056    2.64585544   -3.09237577
 C                  3.27105312    1.76500821   -2.21581453
 H                  3.04252939    3.27957813   -0.68291299
 C                  2.59647498    1.11503266   -3.26065308
 H                  0.82053478    0.92896676   -4.45495361
 H                  4.30295050    1.54302348   -2.04028512
 H                  3.14018568    0.38605176   -3.85064760

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
33 F
34 F
35 F
36 F
37 F
38 F
39 F

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

Au 0
SDD




