%chk=000276049.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276049

0 1
O -0.458196 -1.566957 0.095248
N 0.399300 0.549155 0.370059
N 2.588312 1.365748 0.260923
C -3.160517 -0.858063 0.482565
C -3.779525 0.644597 -1.103156
C -2.026456 0.230801 0.555979
C -3.452850 -0.883951 -1.052796
C -2.444500 1.244902 -0.554424
C -4.424145 -0.153143 0.984801
C -4.791605 0.737492 0.044491
C -0.660196 -0.388236 0.306782
C 1.782430 0.256537 0.181728
C 2.289885 -1.037600 -0.058986
C 3.664781 -1.184384 -0.219639
C 4.511280 -0.065493 -0.141759
C 3.922442 1.191638 0.101057
C 5.985279 -0.205917 -0.310638
H -2.901750 -1.812237 0.950705
H -4.101429 1.050103 -2.064666
H -2.033343 0.712408 1.558674
H -4.297095 -1.526205 -1.327399
H -2.593057 -1.187896 -1.661658
H -1.696777 1.321791 -1.358330
H -2.590035 2.255005 -0.146405
H -4.869120 -0.379335 1.931480
H -5.612247 1.424381 0.030878
H 0.189224 1.540591 0.542166
H 1.615173 -1.898343 -0.116870
H 4.084101 -2.173681 -0.406535
H 4.528909 2.102319 0.172467
H 6.236374 -0.631061 -1.293620
H 6.515142 0.752510 -0.231291
H 6.412809 -0.873176 0.452369


%chk=000276049-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276049

0 1
O -0.462129 -0.530787 -1.646064
N 0.427727 0.605762 0.198192
N 2.546723 0.843290 1.106068
C -2.732124 -0.362752 0.750091
C -4.212331 -0.039546 -0.948595
C -1.994927 0.727102 -0.172343
C -3.416407 -1.238062 -0.344011
C -3.010864 0.904858 -1.351975
C -3.945838 0.365327 1.338503
C -4.835020 0.557005 0.319873
C -0.625268 0.214462 -0.631305
C 1.802495 0.277609 0.109509
C 2.364319 -0.546491 -0.901474
C 3.752579 -0.778516 -0.856650
C 4.556828 -0.206540 0.165112
C 3.885642 0.598087 1.119323
C 6.052617 -0.437849 0.238414
H -2.065237 -0.866837 1.466128
H -4.903022 -0.258884 -1.776330
H -1.866267 1.662151 0.402974
H -4.071814 -2.011165 0.090837
H -2.702531 -1.688296 -1.054755
H -2.553520 0.550902 -2.291986
H -3.325635 1.954144 -1.475873
H -4.012630 0.738629 2.364009
H -5.774197 1.115940 0.355139
H 0.222660 1.215801 0.996161
H 1.719790 -0.969034 -1.673464
H 4.215125 -1.410155 -1.624363
H 4.445216 1.070469 1.936093
H 6.561416 -0.080733 -0.676515
H 6.498731 0.091233 1.098327
H 6.290495 -1.512823 0.345151


