%chk=000213189.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213189

0 1
O -1.257186 0.573940 -0.298808
O -2.445718 -2.447929 -0.466865
O -1.275430 2.685052 0.603133
O -0.937263 -2.248753 -2.188496
N -0.335690 2.228402 -1.507884
N -0.631329 -3.792175 -0.444458
C -3.481029 -0.341923 0.139156
C -4.304015 -1.021391 1.261899
C -4.191841 0.891824 -0.466614
C -2.121626 0.060695 0.758661
C -3.233664 -1.341517 -1.016975
C -5.724974 -1.399130 0.855579
C -4.486710 1.997345 0.541220
C -0.969050 1.925640 -0.292957
C -1.272271 -2.754268 -1.137477
C 0.563171 3.412322 -1.529048
C 0.824704 -3.970153 -0.690015
C 1.904873 3.115055 -0.901844
C 1.663038 -2.983647 0.088938
C 2.039648 3.154571 0.494179
C 1.711807 -1.641391 -0.317986
C 3.008093 2.789401 -1.701267
C 2.390822 -3.399709 1.211013
C 3.274517 2.875876 1.083983
C 2.486255 -0.723295 0.393824
C 4.242359 2.510049 -1.105852
C 3.166748 -2.476794 1.920088
C 4.377463 2.553827 0.285047
C 3.215259 -1.140206 1.513373
H -4.343638 -0.353367 2.145066
H -3.765223 -1.937049 1.586462
H -5.135903 0.570607 -0.949139
H -3.559635 1.306486 -1.280392
H -1.552629 -0.817225 1.117221
H -2.227076 0.812072 1.561778
H -2.685537 -0.874760 -1.859094
H -4.159303 -1.821561 -1.373808
H -6.319895 -0.518780 0.584601
H -5.735392 -2.084928 -0.000107
H -6.244230 -1.902775 1.679748
H -3.559451 2.446789 0.932300
H -5.068768 1.635751 1.395033
H -5.056764 2.809162 0.074690
H -0.018704 1.430037 -2.069186
H -0.937374 -3.968126 0.514885
H 0.666097 3.732051 -2.591811
H 0.058939 4.257761 -0.996473
H 1.076737 -5.023938 -0.430169
H 1.021084 -3.862676 -1.787193
H 1.174721 3.399056 1.116735
H 1.137491 -1.317196 -1.190069
H 2.910876 2.754533 -2.784946
H 2.358897 -4.438351 1.533488
H 3.377982 2.911661 2.167616
H 2.524707 0.320868 0.077444
H 5.099674 2.258230 -1.728518
H 3.733632 -2.801966 2.790665
H 5.340119 2.339362 0.745769
H 3.818906 -0.422448 2.065656


%chk=000213189-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213189

0 1
O -1.427172 0.366127 -0.012770
O -2.576992 -2.376955 -0.306070
O -1.413918 2.707210 0.338529
O -1.021114 -2.034614 -2.064242
N -0.057057 1.646865 -1.269465
N -0.537255 -3.367989 -0.194327
C -3.836053 -0.273083 0.185613
C -4.786744 -0.864404 1.276370
C -4.476196 0.920251 -0.594418
C -2.550413 0.169308 0.931393
C -3.474131 -1.342485 -0.880426
C -6.207543 -1.242249 0.803628
C -4.988409 2.094843 0.267529
C -0.998887 1.683542 -0.269628
C -1.334965 -2.545499 -0.956460
C 0.714439 2.842355 -1.655675
C 0.825332 -3.724075 -0.608922
C 2.079070 2.924857 -0.972274
C 1.927689 -2.983519 0.149947
C 2.161131 3.192824 0.419901
C 1.811101 -1.597480 0.428277
C 3.273935 2.725621 -1.705371
C 3.108622 -3.665151 0.533015
C 3.416503 3.254221 1.063320
C 2.866122 -0.903239 1.060385
C 4.532793 2.785232 -1.062705
C 4.163911 -2.973381 1.171933
C 4.606785 3.049353 0.323622
C 4.046861 -1.589019 1.432724
H -4.869937 -0.135757 2.108211
H -4.297312 -1.764748 1.699204
H -5.309530 0.528101 -1.211790
H -3.724723 1.309129 -1.310650
H -2.210490 -0.631493 1.608152
H -2.710689 1.101666 1.499889
H -2.956635 -0.885894 -1.741468
H -4.376670 -1.871080 -1.232908
H -6.761312 -0.367501 0.418270
H -6.189198 -2.009375 0.007817
H -6.789336 -1.660006 1.645522
H -4.158723 2.600687 0.792013
H -5.732407 1.768238 1.016836
H -5.474886 2.850894 -0.375614
H 0.175645 0.730835 -1.661646
H -0.885013 -3.652459 0.721899
H 0.835686 2.838984 -2.754035
H 0.095916 3.715449 -1.382275
H 0.966672 -4.817000 -0.509367
H 0.887304 -3.479601 -1.685998
H 1.238149 3.357867 0.988987
H 0.892717 -1.064511 0.154702
H 3.221601 2.520607 -2.782272
H 3.206439 -4.739388 0.329067
H 3.469125 3.470348 2.136535
H 2.773210 0.172090 1.250849
H 5.449930 2.626642 -1.641004
H 5.071870 -3.512870 1.465078
H 5.581083 3.100386 0.822806
H 4.865368 -1.048708 1.921556


