%chk=000191353.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191353

1 1
O 4.112413 0.150354 1.251444
N -3.275550 -0.145098 0.103706
N 0.487180 0.031611 -0.685869
C -1.769322 0.041934 0.278895
C -3.818303 0.976611 -0.801930
C -3.584422 -1.506198 -0.549311
C -3.941366 -0.098600 1.494412
C -0.947871 -0.012910 -1.032895
C -5.325343 0.950867 -0.970731
C -3.030264 -2.692086 0.215550
C -3.778188 1.230185 2.205793
C 1.096578 1.296165 -0.427149
C 1.177146 -1.189878 -0.425937
C 2.355924 1.344991 0.206446
C 2.435795 -1.156593 0.210315
C 3.075865 0.116746 0.620473
C 0.454410 2.496264 -0.805758
C 0.617872 -2.429533 -0.809047
C 2.960906 2.593038 0.447388
C 3.119507 -2.362469 0.454369
C 1.078129 3.718278 -0.559193
C 1.318982 -3.608320 -0.560498
C 2.327031 3.774025 0.073265
C 2.565154 -3.582630 0.078824
H -1.576942 1.018358 0.791024
H -1.385095 -0.739043 0.982986
H -3.500392 1.958377 -0.372712
H -3.325417 0.894990 -1.800090
H -4.693990 -1.601388 -0.648903
H -3.179459 -1.498458 -1.589490
H -5.025076 -0.338032 1.371620
H -3.506695 -0.919699 2.116064
H -1.168188 -0.942776 -1.614303
H -1.198664 0.845153 -1.704161
H -5.643752 1.767373 -1.646802
H -5.705996 0.026845 -1.427034
H -5.877093 1.115580 -0.034154
H -3.272432 -3.632067 -0.315235
H -1.933663 -2.684070 0.316329
H -3.455537 -2.807860 1.222303
H -4.238051 1.178680 3.211359
H -2.730421 1.515260 2.378852
H -4.275691 2.068050 1.697994
H -0.496739 2.482447 -1.329013
H -0.327366 -2.474500 -1.343324
H 3.943872 2.610284 0.937728
H 4.100095 -2.315550 0.947720
H 0.588472 4.645244 -0.867199
H 0.893821 -4.564917 -0.873214
H 2.803386 4.736874 0.261518
H 3.102551 -4.512209 0.269877


%chk=000191353-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191353

1 1
O 4.456294 0.410704 0.735646
N -3.307567 -0.156288 0.052494
N 0.513174 -0.091913 -0.587878
C -1.775707 -0.184933 0.267027
C -3.686475 1.184370 -0.639060
C -3.772731 -1.330733 -0.850397
C -4.000324 -0.282868 1.439765
C -0.887938 -0.256282 -1.005986
C -5.187438 1.469294 -0.770140
C -3.476014 -2.736736 -0.314869
C -3.751335 0.879615 2.408166
C 1.046757 1.222939 -0.467271
C 1.280929 -1.238158 -0.231659
C 2.394330 1.408574 -0.023616
C 2.630390 -1.080737 0.217947
C 3.256997 0.257584 0.336996
C 0.271645 2.380271 -0.779213
C 0.744321 -2.557510 -0.308882
C 2.931669 2.717829 0.081402
C 3.399496 -2.222216 0.565010
C 0.828169 3.668301 -0.668328
C 1.527210 -3.673576 0.039250
C 2.165675 3.848782 -0.236503
C 2.864407 -3.515512 0.481408
H -1.524314 0.734625 0.819322
H -1.553501 -1.047816 0.916323
H -3.189364 1.976483 -0.055097
H -3.219744 1.150453 -1.637840
H -4.858644 -1.198164 -0.983392
H -3.292858 -1.170100 -1.830676
H -5.077325 -0.403675 1.234859
H -3.628745 -1.225285 1.873078
H -1.003977 -1.215844 -1.530211
H -1.141661 0.528787 -1.734275
H -5.295471 2.444499 -1.277449
H -5.721839 0.731261 -1.390597
H -5.697799 1.557504 0.202563
H -3.770125 -3.460549 -1.095375
H -2.407783 -2.907639 -0.101483
H -4.059865 -2.986542 0.585736
H -4.297129 0.655358 3.341748
H -2.690062 0.995851 2.682658
H -4.134242 1.844864 2.038180
H -0.760772 2.305033 -1.132601
H -0.273990 -2.744943 -0.660990
H 3.969839 2.797823 0.420201
H 4.426512 -2.040583 0.898474
H 0.215221 4.538915 -0.926347
H 1.092415 -4.676019 -0.039352
H 2.590885 4.853193 -0.155666
H 3.466203 -4.388592 0.749202


