%nprocshared=24
%mem=41GB
%chk=ZZts
#p opt=(loose,modredundant) b3lyp genecp nosymm empiricaldispersion=gd3 scf=maxcyc=512 scrf=(pcm,solvent=dichloromethane)

Preopt

0 1
 C                 -0.52793819   -0.72859035   -1.78347663
 C                 -0.41810060   -1.90014502   -0.85294631
 C                 -1.93181430   -0.49422068   -2.21596675
 H                 -2.11222742    0.11664099   -3.09718061
 C                  0.88698261   -2.55530074   -0.63513122
 C                  2.08493067   -1.87758006   -0.94626937
 C                  1.00337610   -3.86017506   -0.10448892
 C                  3.33259514   -2.45951379   -0.71438638
 H                  2.03456613   -0.87601924   -1.35753558
 C                  2.24786644   -4.43693501    0.13123317
 H                  0.10991277   -4.44130665    0.10462728
 C                  3.42466985   -3.74070447   -0.17010271
 H                  4.23466449   -1.90658252   -0.96507339
 H                  2.30341947   -5.44489676    0.53542356
 H                  4.39386357   -4.19941728    0.00572013
 N                 -2.81524826   -1.88740274   -0.47070051
 C                 -3.81283635   -1.89784397    0.58828547
 H                 -3.70691194   -1.03194406    1.25667433
 H                 -4.81503120   -1.88724248    0.14768091
 H                 -3.70695833   -2.81280887    1.18061853
 C                 -1.53596395   -2.34888543   -0.21269106
 H                 -1.54031062   -3.21503835    0.44238620
 C                 -2.98261481   -1.01430455   -1.56423755
 H                 -4.01437097   -0.84686727   -1.85789463
 H                  0.16025217   -0.79814101   -2.63015344
 P                  0.55052291    3.12114195    0.44544240
 Au                 0.04463721    1.12647673   -0.72566646
 C                 -0.80417590    3.79680238    1.49333323
 H                 -1.19195450    3.01395045    2.15092279
 H                 -0.44808802    4.64675220    2.08613644
 H                 -1.62315134    4.12794987    0.84701766
 C                  1.01551858    4.53949229   -0.62885433
 H                  0.19829586    4.75439363   -1.32250222
 H                  1.22468898    5.42988973   -0.02684514
 H                  1.90596888    4.27363322   -1.20522599
 C                  1.99114906    2.98128284    1.58297278
 H                  2.88235868    2.73792752    0.99598934
 H                  2.15743210    3.92487394    2.11287438
 H                  1.83443159    2.17801625    2.30853660
 H                 -1.05083432   -1.44755856    0.59962334
 O                 -0.59078724   -0.56764407    1.56354657
 C                 -0.54328096   -1.20112578    2.74461674
 O                 -0.88167065   -2.36390776    2.89736128
 C                 -0.04999733   -0.31775490    3.86505407
 H                  0.75739131   -0.83059777    4.39539239
 H                  0.29691225    0.65120275    3.50255444
 H                 -0.86429821   -0.16835350    4.58222270

21 40 F
40 41 F

C H P N O 0
6-31G(d)
****
Au 0
SDD
****

Au 0
SDD

--link1--
%nprocshared=24
%mem=41GB
%chk=ZZts
#p opt=(ts,calcfc,noeigentest,maxstep=10,modredundant) freq b3lyp genecp nosymm empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) scf=maxcyc=512 guess=read geom=checkpoint

Opt freq

0 1

21 40 A
40 41 A

C H P N O 0
6-31G(d)
****
Au 0
SDD
****

Au 0
SDD





