%chk=EDA-downPhtl_EEisomer_eqbb.chk
%nprocshared=40
%mem=100GB
#p opt=tight int=ultrafine uwb97xd/gen guess=read pseudo=read scf=xqc freq

continue calc 

-1 1
  C     -2.415869      2.386522     -0.609003
  H     -2.460512      2.799887     -1.610697
  C     -3.475821      2.542136      0.288990
  H     -4.359457      3.091210     -0.018568
  C     -3.420838      1.998180      1.573226
  H     -4.262607      2.131843      2.244419
  C     -2.303382      1.278946      2.007899
  H     -2.262389      0.849449      3.002908
  C     -1.259121      1.131414      1.113924
  C     -1.315220      1.673939     -0.170968
  N      0.658276      0.569066      0.033689
  C      0.032732      0.409527      1.272563
  C     -0.059984      1.331872     -0.891915
  O      0.499875     -0.185026      2.217190
  O      0.319637      1.615831     -2.005268
  O      1.856308      0.001007     -0.259924
  C      2.945963      0.804498      0.061448
  O      2.796692      1.889349      0.554255
  C      4.235468     -0.072578     -1.844174
  H      3.423802     -0.728730     -2.169320
  H      4.122359      0.895288     -2.343530
  H      5.177139     -0.512988     -2.178201
  C      4.236311      0.100724     -0.311699
  C      5.414207      0.980097      0.155175
  C      4.281011     -1.270296      0.412711
  C      6.767598      0.279906      0.008993
  H      5.262650      1.232641      1.211325
  H      5.410193      1.922811     -0.401998
  C      5.640054     -1.959247      0.265272
  H      4.079058     -1.107326      1.479514
  H      3.487196     -1.917856      0.028269
  C      6.782017     -1.061649      0.743350
  H      7.549909      0.937732      0.402413
  H      6.999468      0.119738     -1.051218
  H      5.624810     -2.894062      0.835793
  H      5.805550     -2.235743     -0.783488
  H      7.744571     -1.564175      0.598840
  H      6.672182     -0.883219      1.821937
  C     -2.473748     -1.049707     -2.025345
  H     -2.614495     -0.582011     -2.995149
  C     -1.272962     -1.693242     -1.702116
  H     -0.469820     -1.734896     -2.432205
  C     -1.087677     -2.283097     -0.448712
  H     -0.144194     -2.772373     -0.225677
  C     -2.097075     -2.248449      0.519890
  H     -1.952452     -2.700861      1.496233
  C     -3.281521     -1.615950      0.182811
  C     -3.466810     -1.032116     -1.060499
  N     -5.447145     -0.684763      0.171866
  C     -4.560783     -1.376336      0.951558
  C     -4.861860     -0.448285     -1.042420
  O     -4.750902     -1.762468      2.108237
  O     -5.372487      0.144139     -1.996522

-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)
****





