%chk=000209552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209552

0 1
O 0.467221 -2.221824 0.660686
N 5.296635 -0.288809 0.350581
N 1.726962 -0.430543 -0.019489
N -0.676437 -0.287082 0.073561
C 2.999407 -1.176726 0.123805
C 3.730452 -1.315404 -1.235012
C 3.978739 -0.391917 1.049196
C 5.009807 -0.465493 -1.109268
C 0.511559 -1.064860 0.271113
C -1.989770 -0.873240 0.221298
C -0.603755 1.139779 -0.181849
C -3.060838 -0.058149 0.636293
C -1.092101 1.641008 -1.400016
C -2.204319 -2.232534 -0.070831
C -0.048729 1.999706 0.780999
C -4.339310 -0.608537 0.741617
C -1.014012 3.012482 -1.651258
C -3.489295 -2.762955 0.048093
C 0.026060 3.367392 0.509149
C -4.560676 -1.957134 0.447536
C -0.453436 3.875044 -0.703073
H 2.773049 -2.188397 0.553056
H 3.105091 -0.989071 -2.082151
H 3.968069 -2.374318 -1.433637
H 3.619160 0.642799 1.239558
H 4.076721 -0.872922 2.039061
H 5.871258 -0.916034 -1.634181
H 4.857302 0.545187 -1.545093
H 5.914788 -1.041613 0.672929
H 1.779816 0.504189 -0.414678
H -2.902802 0.990258 0.881827
H -1.532804 0.965276 -2.133142
H -1.371450 -2.877057 -0.362380
H 0.310303 1.603567 1.730737
H -5.168910 0.021329 1.061188
H -1.392139 3.410660 -2.593000
H -3.655065 -3.817289 -0.172980
H 0.455831 4.041944 1.249971
H -5.558682 -2.379034 0.534229
H -0.393602 4.942924 -0.907246


%chk=000209552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209552

0 1
O 0.476521 -2.289041 0.786179
N 5.316488 -0.215652 0.135610
N 1.707795 -0.459042 0.034698
N -0.662498 -0.307360 0.155375
C 3.009231 -1.118590 0.212993
C 3.710835 -1.523560 -1.130301
C 4.049691 -0.154368 0.909327
C 4.896075 -0.520196 -1.263608
C 0.515209 -1.096268 0.358729
C -1.980003 -0.894961 0.218913
C -0.563462 1.116054 -0.094798
C -3.068753 -0.100188 0.667062
C -1.028170 1.651242 -1.323041
C -2.219105 -2.235556 -0.184600
C -0.022421 1.982357 0.890043
C -4.374179 -0.634724 0.702705
C -0.946520 3.039965 -1.564434
C -3.527407 -2.760953 -0.134610
C 0.069465 3.369606 0.637365
C -4.614171 -1.969012 0.303591
C -0.393041 3.903059 -0.588501
H 2.803529 -2.012190 0.823584
H 3.003019 -1.491987 -1.976488
H 4.099587 -2.555714 -1.052361
H 3.652542 0.880548 0.877982
H 4.221388 -0.412273 1.967806
H 5.745619 -0.910372 -1.848736
H 4.558115 0.418800 -1.744522
H 5.940455 -0.950941 0.499078
H 1.688847 0.485775 -0.353942
H -2.893841 0.931255 0.988994
H -1.454928 0.975257 -2.071303
H -1.386600 -2.862622 -0.507618
H 0.313368 1.564505 1.845194
H -5.201618 -0.006665 1.051790
H -1.308766 3.447095 -2.514785
H -3.696302 -3.798420 -0.444737
H 0.488745 4.033020 1.401717
H -5.626939 -2.384872 0.336452
H -0.327701 4.979590 -0.779601


