#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end
%scf guess moread
moinp "guessG20_frz1Ang.gbw" end

* xyz 1 1
  Au         -0.06391436242359     -3.37093465594948     -0.26534514969544
  C          -2.06175962891807     -1.14966259454506     -0.30279305295142
  C          -0.99543524990230     -1.64480475398773     -0.92402386610468
  C          -1.82434667166796      0.87644268737427     -1.46964161553028
  C          -2.86127091485245      0.09841668459603     -0.81983019146470
  H          -3.61056159162791     -0.23813626677530     -1.53665332770593
  C          -0.39628337896609     -0.94331412901623     -2.09782872080881
  H          -0.21318028583546     -1.61671852678780     -2.93712201440935
  H           0.56413744466366     -0.50616196074705     -1.81117103218773
  C          -1.30586287287502      0.24543350584417     -2.66746998172964
  P           0.98716898002556     -5.28588335636095      0.47405913235392
  C           1.32289599433949     -5.29773468290187      2.25453954481622
  C           0.05017673220064     -6.80731681953697      0.17480388577380
  H          -2.46710340147765     -1.54572202523430      0.62220751844790
  C           2.59950624698533     -5.58129975927915     -0.29776144212721
  H           3.26213446598572     -4.73913213123549     -0.08922666545460
  H           3.04377274328933     -6.49933711305325      0.09407359901583
  H           2.47462275475939     -5.67041492220631     -1.37864062813864
  H           1.96194112084199     -4.45020504766927      2.50976317381282
  H           1.82084304326013     -6.22763802417413      2.53937359727580
  H           0.38311980137214     -5.20617947716417      2.80245734610847
  H          -0.91323567875448     -6.74707607930226      0.68472059205776
  H           0.60513291307486     -7.67207599001098      0.54634382673621
  H          -0.12618284804315     -6.92136242363525     -0.89648617078706
  H          -3.34920394748772      0.58351963051345      0.01984451584994
  H          -0.68659534972848      0.86795323107378     -3.30580541335539
  H          -2.11285043459778     -0.21479319713013     -3.23524903157974
  C          -1.16970308813612      2.00971771633689     -0.83504503333561
  C          -1.51088957181228      2.39245120178865      0.46752755006024
  C          -0.16885610971788      2.71799060799989     -1.50804405371465
  C          -0.86540506658045      3.44363061077124      1.09021950144969
  H          -2.27329829230746      1.86030161698871      1.01705851293434
  C           0.48227585501427      3.77834359740523     -0.90209688398438
  H           0.10487534536075      2.45802923476796     -2.51978764943648
  C           0.12636916795524      4.12640470559883      0.39431499467090
  C          -1.27188995943705      3.81793671064911      2.50488009448916
  C           1.56683198090600      4.50911822967481     -1.67391633460958
  N           0.81997959257858      5.25883988907092      1.05374890988331
  F          -1.87540835971842      2.79217356081360      3.12107901746821
  F          -2.12926701359519      4.85116624483119      2.51652151407348
  F          -0.21006083053585      4.16488882413046      3.25353374812584
  F           1.42148744590406      4.33416835436737     -2.99477467281951
  F           2.79074875238816      4.06565141831626     -1.34442234398180
  F           1.53976832711830      5.83314265503232     -1.44183279453062
  O           0.16684641907998      6.25946566559533      1.24144191242293
  O           1.98036478189523      5.08592635316263      1.34866358261644
*

