%chk=000208947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208947

0 1
O 0.047758 -1.947557 0.331057
N 1.261416 -0.037555 0.017365
N -4.330874 0.998333 0.663320
N -5.656208 -0.149462 -0.772868
C -1.225923 0.112932 0.108580
C -0.990856 1.538404 0.630072
C 0.152191 2.228423 -0.123423
C 1.384100 1.396095 -0.120536
C 0.039003 -0.741442 0.187528
C -2.370914 -0.581363 0.873445
C 2.711162 1.736164 -0.240161
C 2.582938 -0.583589 -0.007474
C 3.496192 0.506265 -0.174024
C -3.697260 -0.204704 0.321149
C 3.292232 3.084338 -0.407292
C 3.014108 -1.910114 0.096478
C 4.867936 0.243297 -0.238639
C -4.501712 -0.930274 -0.571585
C 4.386031 -2.137723 0.028977
C 5.300484 -1.077495 -0.136755
C -4.300645 -2.236144 -1.223319
C -5.506300 1.019461 0.001612
H -1.498490 0.165235 -0.980670
H -0.771692 1.517135 1.716418
H -1.931564 2.122721 0.532108
H 0.360514 3.219216 0.334222
H -0.149063 2.442105 -1.172644
H -2.324512 -0.322082 1.954531
H -2.238352 -1.687756 0.832107
H 4.008671 3.307141 0.398454
H 3.839226 3.162163 -1.359476
H 2.533048 3.876799 -0.399453
H 2.293651 -2.718563 0.226938
H 5.575901 1.058341 -0.365371
H 4.764555 -3.156284 0.106371
H 6.364276 -1.301476 -0.184444
H -6.433127 -0.395714 -1.354987
H -3.292775 -2.634056 -1.010792
H -5.019174 -2.989734 -0.865780
H -4.391304 -2.176584 -2.317801
H -6.244546 1.804403 0.042557


%chk=000208947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208947

0 1
O 0.124598 -1.986209 0.082375
N 1.334050 0.002076 -0.028431
N -4.145671 1.114011 0.244999
N -5.751700 -0.119461 -0.742529
C -1.162879 0.120438 -0.020526
C -0.962551 1.521006 0.609184
C 0.191010 2.268568 -0.094060
C 1.445378 1.437050 -0.092471
C 0.124918 -0.722800 0.026316
C -2.345330 -0.664740 0.612920
C 2.784491 1.788878 -0.143426
C 2.650289 -0.548817 -0.042641
C 3.563989 0.552180 -0.114789
C -3.697651 -0.223503 0.119091
C 3.357857 3.178769 -0.216188
C 3.086377 -1.887275 0.001775
C 4.956259 0.301765 -0.143168
C -4.686879 -1.006738 -0.495964
C 4.482608 -2.113676 -0.029451
C 5.406509 -1.036018 -0.100899
C -4.745406 -2.460675 -0.867706
C -5.381201 1.139103 -0.283669
H -1.387677 0.263656 -1.101227
H -0.736633 1.405060 1.688126
H -1.911749 2.076252 0.528080
H 0.388061 3.238603 0.397114
H -0.114790 2.501383 -1.136371
H -2.286028 -0.548060 1.713556
H -2.198222 -1.738494 0.403315
H 4.075137 3.360194 0.607119
H 3.907862 3.338459 -1.163881
H 2.571614 3.950409 -0.154441
H 2.369236 -2.707375 0.058381
H 5.671998 1.129640 -0.198254
H 4.856704 -3.143053 0.002903
H 6.481183 -1.249510 -0.123199
H -6.637737 -0.367763 -1.181094
H -3.784524 -2.946559 -0.633187
H -5.534416 -3.002962 -0.311808
H -4.933726 -2.607213 -1.948636
H -6.025254 2.012701 -0.351443


