%nprocshared=20
%mem=30GB
# opt freq=noraman b3lyp/genecp scrf=(solvent=dichloromethane,pcm) empiricaldispersion=gd3

Dissociative approximation, binding of the carbonyl group to Au and
displacement of the Chloride atom

0 1
 P                  1.33988341   -0.46363946    3.86653024
 C                  1.38192658   -2.19690696    3.29050684
 N                  1.34063464    0.90003654   -0.42786396
 H                  2.11765878    1.34302842   -0.90991903
 O                 -1.26793667   -0.95868989    0.23152878
 F                 -2.52771775   -1.40270041   -6.64824175
 Au                -0.61925676    0.65119562    3.33455143
 N                  1.08203427    0.36918461   -3.56311782
 H                  1.89767767    0.93040106   -3.32352072
 O                 -1.68833852   -1.52616630   -2.97571318
 F                 -1.75625758   -1.08021345   -8.66188805
 C                  2.58744650   -2.80556280    2.90702125
 H                  3.51330190   -2.23878598    2.91191448
 F                 -1.12377046   -2.81577371   -7.51706587
 C                  2.59347786   -4.14231062    2.50613294
 H                  3.52679016   -4.60886943    2.20685847
 F                  2.44082971    1.26453276   -9.30362039
 C                  1.40370971   -4.87445276    2.48646579
 H                  1.41187823   -5.91291115    2.16990331
 F                  3.52185508    2.03332826   -7.57251355
 C                  0.20218141   -4.27037648    2.86648327
 H                 -0.72413164   -4.83588383    2.84570953
 F                  3.85061425   -0.00669313   -8.24526659
 C                  0.18760678   -2.93393714    3.26516088
 H                 -0.74815049   -2.46155319    3.55048030
 C                  1.63771680   -0.51568922    5.66864904
 C                  1.12554829    0.51277089    6.47579097
 H                  0.53209988    1.30807869    6.03396528
 C                  1.37744708    0.51505140    7.84787790
 H                  0.97794989    1.31245956    8.46657008
 C                  2.13364912   -0.50995545    8.42163214
 H                  2.32428036   -0.51032200    9.49046307
 C                  2.64013357   -1.53806556    7.62222993
 H                  3.22432848   -2.33768639    8.06691475
 C                  2.39622637   -1.54443504    6.24864930
 H                  2.79161782   -2.34825671    5.63647735
 C                  2.80193024    0.36893608    3.11671857
 C                  3.78146899    0.89264973    3.97437970
 H                  3.68295170    0.77171544    5.04694600
 C                  4.89147193    1.56962054    3.46723970
 H                  5.63663474    1.96601165    4.14969703
 C                  5.03433851    1.72710827    2.09095891
 H                  5.89379000    2.25079868    1.68384719
 C                  4.06853063    1.20375132    1.22950385
 H                  4.17633362    1.32730796    0.15579572
 C                  2.75747779    0.41857355    1.76340553
 C                  2.18531274    0.47529004    0.54292898
 H                  2.73018772    0.14265634   -0.40156352
 H                  1.88076778   -0.61819221    0.64851743
 C                  0.48405082    0.17221035   -1.14782927
 C                 -0.70124591   -0.64071990   -0.80325393
 C                 -0.88635911   -0.90326671   -2.29761459
 C                  0.32080946   -0.05951937   -2.52799660
 C                  0.92035958    0.14112650   -4.93838944
 C                 -0.17889333   -0.54408716   -5.47491475
 H                 -0.95593843   -0.93968618   -4.83004654
 C                 -0.26787412   -0.71261119   -6.85582644
 C                  0.70771893   -0.22016914   -7.72164647
 H                  0.61596418   -0.34602446   -8.79302750
 C                  1.79626023    0.45692340   -7.17239002
 C                  1.91203054    0.64059282   -5.79779676
 H                  2.76312588    1.17723167   -5.39319538
 C                 -1.42284815   -1.49769705   -7.41932924
 C                  2.89955796    0.94318759   -8.07337140
 Cl                 3.60975410    2.33340089   -2.32812673
 O                 -3.10275736    0.71428721    1.77457935
 C                 -4.27588259    0.93184360    1.37455813
 N                 -4.89651111    2.24445522    1.60427744
 H                 -4.93750987    2.42643398    2.58672481
 C                 -4.09609261    3.28689551    0.94583347
 H                 -3.05701144    3.10560994    1.12568308
 H                 -4.28419480    3.26905015   -0.10735176
 C                 -4.48233278    4.66557496    1.51298556
 C                 -4.78360012    5.74094492    1.95536419
 H                 -5.05196179    6.69885857    2.34942441
 C                 -4.99268237   -0.07293914    0.71083254
 C                 -6.29299669    0.17348200    0.26932293
 C                 -4.40615956   -1.31930735    0.49150316
 C                 -7.00679718   -0.82651807   -0.39076075
 H                 -6.75539533    1.15594833    0.44307330
 C                 -5.11968562   -2.31939839   -0.16963856
 H                 -3.38125388   -1.51363787    0.83925741
 C                 -6.41986358   -2.07326336   -0.61065087
 H                 -8.03195034   -0.63256507   -0.73823699
 H                 -4.65683229   -3.30187409   -0.34279309
 H                 -6.98284350   -2.86155376   -1.13117773

-Au
SDD
****
-P -C -Cl -N -O -H -F
6-31G(d,p)
****

-Au
SDD














