%chk=000239211.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239211

0 1
O -0.799918 -1.321602 -0.864131
O 3.543627 -0.270858 -2.615853
O 3.840986 2.206452 1.279070
N 2.069393 0.955202 0.379992
N 4.031573 1.044444 -0.767549
C 1.799422 0.156844 -0.855781
C 1.515775 -1.319749 -0.547088
C 0.181965 -1.691548 0.145076
C 0.758260 0.825801 -1.737073
C 3.196283 0.235116 -1.582134
C -0.078955 -0.950353 1.452356
C 0.144561 -3.211916 0.361868
C 3.359584 1.503780 0.422972
C -2.185253 -1.617721 -0.614113
C -2.876261 -0.507544 0.136279
C -3.904060 -0.804934 1.041735
C -2.519327 0.828027 -0.096156
C -4.568152 0.230636 1.706721
C -3.181843 1.859339 0.571466
C -4.209104 1.561816 1.473983
H 2.343488 -1.731300 0.067969
H 1.551051 -1.869671 -1.518584
H 0.956740 1.890593 -1.897655
H 0.703952 0.337867 -2.722245
H -0.259217 0.724662 -1.302911
H 1.343654 1.164206 1.052336
H 0.772269 -1.027264 2.137762
H -0.291661 0.111890 1.277743
H -0.956525 -1.348289 1.978213
H 0.954446 -3.549133 1.016958
H -0.795804 -3.533385 0.823911
H 0.235501 -3.751320 -0.588885
H 4.995599 1.283558 -0.978949
H -2.289086 -2.596861 -0.114485
H -2.583936 -1.694475 -1.649075
H -4.191897 -1.837231 1.228974
H -1.707645 1.044820 -0.801880
H -5.368021 -0.001821 2.408238
H -2.902522 2.895580 0.387514
H -4.728246 2.365440 1.992812


%chk=000239211-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000239211

0 1
O -0.877759 -1.394622 -0.912609
O 3.292403 -0.072629 -2.796817
O 4.372506 1.772263 1.408071
N 2.375955 0.795837 0.543354
N 4.151317 0.908714 -0.814803
C 1.878808 0.224486 -0.734418
C 1.502462 -1.285456 -0.633774
C 0.194018 -1.725895 0.082319
C 0.785686 1.112987 -1.378177
C 3.170507 0.315654 -1.611253
C -0.049471 -1.028942 1.441089
C 0.266542 -3.262358 0.274830
C 3.692515 1.225335 0.506961
C -2.282903 -1.688046 -0.554584
C -3.011799 -0.520628 0.098828
C -3.707335 -0.688349 1.321148
C -3.038576 0.749081 -0.534709
C -4.413968 0.388618 1.905566
C -3.737704 1.828495 0.047736
C -4.427951 1.651635 1.271269
H 2.347396 -1.801089 -0.137240
H 1.446776 -1.669547 -1.669683
H 1.149757 2.151083 -1.479691
H 0.533353 0.718774 -2.376123
H -0.133032 1.107094 -0.772075
H 1.792762 0.961524 1.360002
H 0.835441 -1.146301 2.093559
H -0.272079 0.044782 1.313691
H -0.910887 -1.475840 1.966397
H 1.070303 -3.526028 0.985974
H -0.677118 -3.668497 0.680878
H 0.472454 -3.760127 -0.688810
H 5.103745 1.111175 -1.118859
H -2.362058 -2.593260 0.079202
H -2.747083 -1.921276 -1.531102
H -3.700695 -1.667074 1.818610
H -2.509816 0.882413 -1.485720
H -4.949031 0.243266 2.850805
H -3.751372 2.803519 -0.452399
H -4.973371 2.488328 1.721954


