%chk=000220581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220581

0 1
O -2.831430 -2.644543 -0.657008
O -0.758819 -2.047283 -0.638194
N 2.238785 0.526030 0.343969
N -1.948960 -1.810265 -0.514776
C 4.707505 0.476948 -0.023303
C 3.314499 0.206939 -0.644653
C 0.877093 0.442299 -0.261904
C -0.131012 0.187099 0.880572
C 5.019821 -0.535025 1.082794
C 5.776552 0.431181 -1.122577
C -1.530783 0.496854 0.444801
C -2.375504 -0.433053 -0.192082
C -2.042022 1.787438 0.692032
C -3.696141 -0.087767 -0.550213
C -3.339798 2.132441 0.326255
C -4.174510 1.191102 -0.295950
H 4.709081 1.501914 0.425083
H 3.209512 0.774208 -1.593950
H 3.222467 -0.871274 -0.906003
H 0.596744 1.351354 -0.833385
H 0.827487 -0.417428 -0.972358
H 0.144203 0.781853 1.776827
H -0.023257 -0.872495 1.209569
H 2.387808 1.463280 0.731379
H 5.124757 -1.550903 0.686854
H 5.945612 -0.285118 1.608469
H 4.207131 -0.566289 1.821796
H 5.799239 -0.542232 -1.625340
H 6.775680 0.599751 -0.705040
H 5.607866 1.195729 -1.887276
H -1.403704 2.525294 1.179959
H -4.335936 -0.840533 -1.025865
H -3.713740 3.138417 0.525540
H -5.192227 1.461975 -0.574822


%chk=000220581-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220581

0 1
O -2.767354 -2.838594 -0.009125
O -0.616817 -2.111890 -0.169874
N 2.294024 0.616432 0.351157
N -1.885737 -1.893959 -0.057485
C 4.763912 0.347011 0.023761
C 3.382568 0.550069 -0.647949
C 0.927994 0.662963 -0.198284
C -0.112420 0.455498 0.938153
C 4.840664 -1.019994 0.740604
C 5.894955 0.502060 -1.019158
C -1.544511 0.579374 0.445100
C -2.372037 -0.490000 -0.006082
C -2.140588 1.870152 0.430610
C -3.709100 -0.294553 -0.431379
C -3.460921 2.090285 -0.011431
C -4.254013 1.000816 -0.444383
H 4.887432 1.147937 0.786699
H 3.426426 1.459546 -1.300716
H 3.177133 -0.311344 -1.315276
H 0.697163 1.616496 -0.738451
H 0.820570 -0.161108 -0.926188
H 0.053699 1.231943 1.711573
H 0.093517 -0.525641 1.393319
H 2.459400 1.368617 1.035785
H 4.824096 -1.843931 0.000792
H 5.772072 -1.112023 1.329879
H 3.975894 -1.151933 1.413587
H 5.792119 -0.255897 -1.819748
H 6.886399 0.361517 -0.550808
H 5.878912 1.501894 -1.493079
H -1.542472 2.716620 0.787568
H -4.292782 -1.164753 -0.743030
H -3.873971 3.104731 -0.010941
H -5.282228 1.159556 -0.784000


