%chk=EDA-downPhtl_EEisomer_eqb.chk
%nprocshared=40
%mem=100GB
#p opt freq wb97xd/gen scrf=(smd,solvent=dimethylsulfoxide) int=ultrafine

continue calc 

-1 1
  C      2.318253     -2.429660     -0.622080
  H      2.314633     -2.863068     -1.616168
  C      3.391937     -2.625885      0.251371
  H      4.236510     -3.226937     -0.068244
  C      3.400849     -2.055362      1.525164
  H      4.252122     -2.221205      2.176795
  C      2.334665     -1.270200      1.973965
  H      2.342372     -0.820661      2.960838
  C      1.275363     -1.085160      1.105219
  C      1.267909     -1.652705     -0.170181
  N     -0.637241     -0.439742      0.064431
  C      0.028933     -0.292483      1.283726
  C      0.017075     -1.249062     -0.867505
  O     -0.379110      0.345324      2.227336
  O     -0.400517     -1.519888     -1.970282
  O     -1.802780      0.202250     -0.213006
  C     -2.930638     -0.530692      0.128150
  O     -2.837146     -1.628359      0.609149
  C     -3.945692      1.532752     -0.932574
  H     -3.318952      2.221383     -0.359794
  H     -3.456087      1.331647     -1.889676
  H     -4.887351      2.042754     -1.144490
  C     -4.210473      0.235025     -0.158811
  C     -5.135451     -0.716710     -0.960876
  C     -4.851242      0.529161      1.226260
  C     -6.566039     -0.184687     -1.075204
  H     -5.160708     -1.686340     -0.451429
  H     -4.706163     -0.881932     -1.955766
  C     -6.279869      1.064052      1.103157
  H     -4.873513     -0.402112      1.804158
  H     -4.220486      1.239025      1.773778
  C     -7.165165      0.106839      0.302338
  H     -7.175223     -0.925657     -1.603895
  H     -6.585168      0.726202     -1.685714
  H     -6.688862      1.207032      2.109094
  H     -6.274712      2.051083      0.625100
  H     -8.172970      0.522719      0.196337
  H     -7.264821     -0.836479      0.856723
  C      2.560524      0.963482     -2.051224
  H      2.683766      0.457084     -3.003740
  C      1.388745      1.669159     -1.755817
  H      0.588817      1.715100     -2.488869
  C      1.226697      2.311950     -0.525691
  H      0.305914      2.851382     -0.323769
  C      2.230258      2.265276      0.448514
  H      2.102244      2.758183      1.407370
  C      3.385253      1.566094      0.140984
  C      3.548239      0.932551     -1.081375
  N      5.508373      0.542493      0.169184
  C      4.650552      1.294938      0.922967
  C      4.916611      0.289868     -1.038393
  O      4.853212      1.705679      2.068817
  O      5.405960     -0.353720     -1.970318

-H 0
6-31g(d,p)
****
-C 0
6-31g(d,p)
****
-N 0
6-31+g(d,p)
****
-O 0
6-31+g(d,p)
****