%chk=000202593.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202593

0 1
O -1.851366 1.378346 -1.615738
O -0.273338 -2.874582 -1.501002
O -1.673132 -2.792522 0.239847
N -1.519540 1.918436 0.574975
N 1.595793 -0.585400 -1.369708
N -4.174831 0.621311 0.741514
C -0.463498 2.928545 0.284515
C 0.912503 2.403435 0.761560
C 1.324751 1.129410 0.118342
C 2.167922 0.127371 0.733115
C -3.016177 0.017929 0.038090
C -0.814403 4.245246 0.982797
C 2.310478 -0.941914 -0.217029
C -2.097518 1.168488 -0.431291
C 0.992907 0.670835 -1.147919
C -3.403099 -0.885564 -1.154023
C 2.811190 0.019200 1.979530
C -2.187526 -1.537196 -1.817136
C 3.071384 -2.095696 0.063032
C 3.555954 -1.116007 2.252217
C 3.684158 -2.162527 1.301541
C -1.432102 -2.430987 -0.886980
H -0.435442 3.090686 -0.829968
H 1.681751 3.180287 0.556545
H 0.907697 2.278706 1.864796
H -1.779607 1.776872 1.547955
H -2.447459 -0.609156 0.787436
H -0.830886 4.153153 2.074317
H -0.090940 5.029444 0.731226
H -1.804131 4.606133 0.672479
H -4.108566 -1.666260 -0.806516
H -3.936449 -0.284249 -1.921019
H 0.369309 1.136482 -1.899722
H 1.423977 -1.178799 -2.160643
H 2.718518 0.820287 2.708672
H -1.507025 -0.737551 -2.215899
H -2.496282 -2.111058 -2.718367
H 3.177161 -2.885861 -0.670977
H -4.777846 1.124223 0.095282
H -4.737631 -0.097566 1.188908
H 4.059523 -1.220639 3.210568
H 4.283046 -3.033443 1.564776
H 0.275273 -3.448249 -0.898997


%chk=000202593-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202593

0 1
O -1.471757 0.719387 -1.851664
O -3.218231 -3.347344 -3.437637
O -3.343393 -3.272087 -1.124899
N -1.375960 1.524351 0.344760
N 2.480265 -0.787921 -0.676307
N -3.430060 0.121865 1.221934
C -0.332996 2.546696 0.145081
C 0.944197 2.225159 0.966642
C 1.708775 0.998305 0.526129
C 2.826946 0.401943 1.239485
C -2.951156 -0.284773 -0.126477
C -0.888969 3.943220 0.506297
C 3.290753 -0.719460 0.461312
C -1.869029 0.707963 -0.633924
C 1.529499 0.245793 -0.636165
C -4.104406 -0.462219 -1.159009
C 3.483808 0.704642 2.462381
C -3.707747 -1.205737 -2.451392
C 4.372671 -1.529436 0.870623
C 4.563856 -0.099640 2.876837
C 5.003736 -1.205336 2.089554
C -3.417770 -2.671677 -2.224166
H -0.090604 2.522502 -0.933930
H 1.606942 3.114455 0.913339
H 0.661401 2.128901 2.036896
H -1.813902 1.356746 1.267410
H -2.450429 -1.264182 -0.009737
H -1.145816 4.004060 1.581578
H -0.139355 4.726451 0.292427
H -1.797824 4.164379 -0.080159
H -4.918728 -1.013787 -0.651319
H -4.496581 0.535996 -1.436152
H 0.784771 0.357083 -1.424925
H 2.552636 -1.483541 -1.414814
H 3.157430 1.552116 3.076670
H -2.805961 -0.726214 -2.880586
H -4.502461 -1.131812 -3.216934
H 4.715279 -2.379455 0.269407
H -4.220165 0.778431 1.188742
H -3.638338 -0.674049 1.833035
H 5.078479 0.122936 3.818495
H 5.846875 -1.812328 2.438373
H -3.012180 -4.302783 -3.246110


