#
#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 "guess2.gbw" end

* xyz 1 1
  C          -1.78327614403176     -1.31687668032103      2.78128526088016
  H          -1.16890650272006     -1.89922549567630      2.09291724218553
  H          -2.59725130751921     -1.96446970168326      3.11467739543290
  C          -2.37018647429023     -0.18366035785012      2.05118681206162
  C          -2.89175848134029      0.81968980648512      1.59342580337089
  H          -3.45627523312230      1.70631435213385      1.37872475466953
  C           0.01303203815531      1.40974552451092      4.34522932876704
  H           0.71915674572144      2.20568355805850      4.13330745724557
  H          -0.68139315025560      1.56510597869307      5.16463888382903
  C           0.00805133150632      0.27235466012997      3.65336851697069
  C          -0.95568210648199     -0.84062268466660      3.98894904972568
  H          -0.41819672958534     -1.71019356365534      4.37676945852517
  H          -1.62756631718024     -0.49432140616770      4.77531677771479
  Au         -1.63644471880837      0.09427148161521     -0.11422019819243
  P          -0.74306598216921     -0.25082844709429     -2.19043607873527
  C          -2.03499454881393     -0.37733164838312     -3.44689129512924
  C           0.36173487880389      1.05643389322331     -2.76107434749229
  C           0.19419544652718     -1.79076170875602     -2.29896646665016
  H          -0.46343602743693     -2.63000486830058     -2.06613682606219
  H           0.59133678740052     -1.90574472800316     -3.31020041456635
  H           1.01582840128379     -1.77488414373269     -1.58246136042510
  H          -2.70868530966279     -1.19815475459075     -3.19545615164738
  H          -1.58053485666669     -0.56194916818474     -4.42311306810319
  H          -2.60409561492375      0.55329473316970     -3.47917553331409
  H          -0.16803696908487      2.01044897954506     -2.75154894404441
  H           0.69400562527472      0.83229261128456     -3.77743679417717
  H           1.22807457088310      1.12110562561457     -2.10306561645964
  C           0.94173396326384      0.06853418373951      2.51234280101597
  C           1.50980197789572     -1.18431691166676      2.26503714874827
  C           1.25127425521933      1.13054604172942      1.65728193361704
  C           2.39002556298070     -1.37135766176080      1.21193563970730
  H           1.27607695164517     -2.02389285360294      2.90868490717408
  C           2.13139339551992      0.96219175436413      0.60195184752892
  H           0.78898056522173      2.09745681907334      1.81419289446313
  C           2.68939094910922     -0.28982089613477      0.39924403128502
  H           2.83721295859094     -2.33787150930455      1.02322474830446
  H           2.37599432147959      1.78498451901237     -0.05559526986768
  N           3.60841649372036     -0.48403002417461     -0.73215832770997
  O           4.14288643582671     -1.57063676140054     -0.85649138815996
  O           3.78590308649906      0.45196940788706     -1.49182131681034
*

