%chk=000219208.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219208

0 1
O 2.312272 2.120890 -0.128513
O 0.221428 1.132842 -1.566328
N 1.300841 -0.950471 1.545753
C 0.099304 1.549756 0.789112
C 1.636018 1.405901 0.899904
C -0.411727 0.986970 -0.536573
C -0.315806 3.017533 0.877471
C 2.090088 -0.052617 0.894289
C -1.731882 0.291967 -0.525526
C 3.295770 -0.420022 0.269986
C -2.076868 -0.591200 0.506968
C -2.620749 0.511829 -1.589012
C 3.695499 -1.756715 0.316605
C -3.314814 -1.238746 0.482542
C -3.861380 -0.130143 -1.603922
C 1.706764 -2.246833 1.585152
C 2.895190 -2.689993 0.983820
C -4.208442 -1.004320 -0.568145
H -0.356713 0.986460 1.647241
H 2.009599 1.901100 1.831877
H -0.083284 3.436298 1.864259
H 0.223204 3.626974 0.135741
H -1.391112 3.148772 0.709957
H 3.893303 0.339353 -0.238829
H 1.920580 1.899631 -1.026287
H -1.372394 -0.783651 1.322149
H -2.332887 1.179704 -2.403465
H 4.623354 -2.069533 -0.162605
H -3.582654 -1.927252 1.282318
H -4.554330 0.045262 -2.425251
H 1.045947 -2.938744 2.119091
H 3.183745 -3.736493 1.035475
H -5.175163 -1.506811 -0.582054


%chk=000219208-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219208

0 1
O 2.351819 2.183092 -0.188009
O 0.062725 1.570868 -1.551974
N 1.311908 -0.888596 1.639110
C 0.131476 1.645537 0.871144
C 1.681259 1.437881 0.873785
C -0.477367 1.185029 -0.457292
C -0.225417 3.141436 1.090149
C 2.061881 -0.051145 0.854098
C -1.718277 0.353949 -0.493871
C 3.164024 -0.508369 0.092874
C -2.136354 -0.440779 0.608920
C -2.486690 0.344319 -1.692232
C 3.506471 -1.877309 0.142428
C -3.308168 -1.221527 0.512907
C -3.661584 -0.425786 -1.779245
C 1.656329 -2.208605 1.678041
C 2.740869 -2.748881 0.951307
C -4.076627 -1.209974 -0.674479
H -0.268821 1.050722 1.705833
H 2.063420 1.871466 1.819767
H 0.149128 3.474226 2.075073
H 0.242597 3.769329 0.313065
H -1.318393 3.301055 1.066252
H 3.719441 0.215417 -0.509018
H 1.762157 2.110246 -0.998916
H -1.524519 -0.488454 1.515509
H -2.138499 0.949272 -2.535892
H 4.354465 -2.257659 -0.437410
H -3.619311 -1.842531 1.359873
H -4.254323 -0.419887 -2.700385
H 1.034499 -2.848134 2.315692
H 2.972488 -3.816569 1.018130
H -4.989905 -1.811940 -0.742034


