%chk=000217824.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217824

0 1
O 2.781059 -0.978638 -0.596674
O 3.527590 1.034576 0.190067
N 1.564956 0.908424 -1.080167
N -1.950637 1.061069 1.259717
N -2.868127 0.157461 1.200802
N -3.966063 -1.694511 0.183694
N -3.698250 -3.092790 -0.055331
C 1.090478 2.240222 -0.603222
C 0.164673 2.117455 0.615783
C 0.466215 -0.013327 -1.473873
C -0.709144 0.009707 -0.531673
C -0.858243 1.037986 0.431419
C -1.698676 -0.970729 -0.611287
C 2.686332 0.384419 -0.394354
C -2.797114 -0.877231 0.271502
C 3.980674 -1.637792 -0.068406
C 3.856509 -1.809455 1.429599
H 0.564403 2.727998 -1.454279
H 1.977235 2.872371 -0.357813
H -0.330455 3.092280 0.820618
H 0.758551 1.900905 1.533780
H 0.868286 -1.052689 -1.581965
H 0.126149 0.300129 -2.493651
H -1.624111 -1.782424 -1.330356
H 3.942432 -2.591582 -0.625944
H 4.864767 -1.042623 -0.359197
H -4.548146 -1.611366 1.046392
H 4.662336 -2.435115 1.831135
H 3.907010 -0.837336 1.945491
H 2.901321 -2.272929 1.708124
H -3.204697 -3.184415 -0.952516
H -4.612317 -3.544951 -0.204017


%chk=000217824-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217824

0 1
O 3.083882 -1.073872 -0.489719
O 3.730492 1.148120 -0.044103
N 1.492475 0.589355 -0.489540
N -2.394601 1.374380 0.951462
N -3.428358 0.497167 0.786435
N -4.331655 -1.491677 0.002599
N -4.301855 -2.721204 -0.661455
C 1.028857 1.990728 -0.396743
C -0.062669 2.106418 0.685569
C 0.493257 -0.434240 -0.841839
C -0.883723 -0.126699 -0.267798
C -1.151499 1.077875 0.450225
C -1.942277 -1.027899 -0.453381
C 2.832183 0.304879 -0.315738
C -3.204562 -0.683609 0.099828
C 4.492368 -1.494449 -0.239882
C 4.739793 -1.739496 1.251330
H 0.626150 2.308678 -1.380101
H 1.904129 2.614973 -0.159652
H -0.512896 3.114733 0.687337
H 0.395118 1.952118 1.681822
H 0.851450 -1.410056 -0.475007
H 0.406884 -0.525243 -1.946757
H -1.832349 -1.972027 -0.994785
H 4.593826 -2.417222 -0.834237
H 5.166057 -0.712655 -0.631974
H -5.182907 -1.126350 0.444037
H 5.765163 -2.126150 1.402219
H 4.639615 -0.799250 1.818983
H 4.028445 -2.481438 1.654330
H -4.825593 -2.756320 -1.539908
H -4.390204 -3.544469 -0.060160


