%chk=000196866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196866

0 1
O -2.290982 -2.298133 -0.285626
O 2.201235 -3.332702 -0.168642
O -4.454994 0.305084 -0.931330
N -1.301152 2.690763 -0.144205
N 1.287323 -1.249055 -0.479500
C 0.573363 1.089564 -0.327160
C 0.051627 -0.391276 -0.326849
C -0.183742 2.055124 0.641311
C -0.643148 -0.879599 0.961921
C -1.610904 0.188958 1.504232
C -0.716514 1.381421 1.911263
C 0.339561 1.732641 -1.720018
C 2.056287 0.927488 -0.079168
C -0.935242 2.583733 -1.597436
C -1.214748 -2.284277 0.690023
C -2.636112 0.642726 0.492089
C -2.646134 2.113556 0.158484
C 2.442705 -0.436601 -0.224414
C -0.189522 -3.195385 -0.011512
C 1.206916 -2.634613 -0.200387
C -3.493758 -0.219836 -0.080096
C 3.021043 1.885068 0.183664
C -3.531227 -1.707323 0.133994
C 3.767824 -0.843023 -0.116140
C 4.364767 1.483697 0.304485
C 4.728756 0.145400 0.151139
H -0.625637 -0.567728 -1.200611
H 0.504381 2.894526 0.919988
H 0.138628 -1.019297 1.762112
H -2.140654 -0.208812 2.403468
H -1.287017 2.110475 2.518400
H 0.122283 1.051612 2.551212
H 0.256525 0.973792 -2.515063
H 1.203930 2.361458 -2.002382
H -0.759788 3.621416 -1.953814
H -1.757554 2.167542 -2.211158
H -1.596770 -2.742114 1.627500
H -3.343541 2.322469 -0.686421
H -3.048606 2.685933 1.028467
H -0.596417 -3.465599 -1.020875
H -0.105435 -4.166970 0.519513
H 2.752102 2.933985 0.293207
H -3.757023 -1.965138 1.185789
H -4.265948 -2.213755 -0.524060
H 4.041856 -1.894026 -0.230938
H 5.126296 2.231391 0.515616
H 5.775304 -0.145941 0.240640
H -4.757243 -0.363519 -1.589014


%chk=000196866-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196866

0 1
O -2.436375 -2.259362 -0.341560
O 2.241100 -3.382141 -0.190877
O -4.719701 0.375846 -0.763466
N -1.308314 2.573921 -0.298283
N 1.358782 -1.224348 -0.430226
C 0.658827 1.108384 -0.355921
C 0.123234 -0.368554 -0.373033
C -0.174328 2.068960 0.564386
C -0.663576 -0.866502 0.865407
C -1.614408 0.208380 1.467831
C -0.706658 1.406861 1.851639
C 0.443775 1.790317 -1.745660
C 2.134901 0.930082 -0.028301
C -1.045969 2.186865 -1.719163
C -1.234526 -2.270235 0.525845
C -2.730551 0.714093 0.542602
C -2.669922 2.193327 0.184100
C 2.512774 -0.433594 -0.153518
C -0.205073 -3.117022 -0.283892
C 1.241856 -2.606684 -0.289632
C -3.661435 -0.136189 0.033543
C 3.106676 1.899122 0.275478
C -3.621002 -1.633231 0.274560
C 3.848273 -0.857086 0.011921
C 4.453718 1.493990 0.459208
C 4.813173 0.131459 0.324928
H -0.491714 -0.542418 -1.276196
H 0.482351 2.919518 0.839407
H 0.091782 -1.055617 1.660016
H -2.059597 -0.222545 2.391386
H -1.260966 2.151991 2.450264
H 0.145006 1.065365 2.469499
H 0.701651 1.122122 -2.585501
H 1.088523 2.685887 -1.810964
H -1.268656 3.022991 -2.407269
H -1.680795 1.322287 -2.023631
H -1.502963 -2.780979 1.476832
H -3.399792 2.425097 -0.608758
H -2.934374 2.825051 1.054130
H -0.573830 -3.127495 -1.328757
H -0.177819 -4.162670 0.058536
H 2.831924 2.956499 0.367044
H -3.637256 -1.854769 1.363802
H -4.491712 -2.138755 -0.184987
H 4.109308 -1.911918 -0.090287
H 5.219794 2.238902 0.700197
H 5.857728 -0.169416 0.463523
H -5.120945 -0.340690 -1.314503


