%chk=000216358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216358

0 1
O -0.400258 -0.040021 2.796489
N -1.309335 -1.990323 -1.156702
N -0.293042 -2.813503 -0.760281
N 3.020361 3.046786 -1.268615
C -0.203023 0.277806 1.407481
C -0.255829 -0.951582 0.537580
C -1.324724 -0.842331 -0.401873
C -1.416754 1.081052 0.878104
C 0.362597 -2.197262 0.288755
C 1.123818 1.042348 1.398099
C 1.538663 -2.826484 1.010094
C -2.059451 0.399457 -0.209845
C 1.426192 1.677026 0.039739
C -1.903530 2.292658 1.320692
C 1.239411 -2.819929 2.520038
C 2.791231 -1.980400 0.712746
C 1.766684 -4.271183 0.534280
C -3.164926 0.939944 -0.840567
C -2.180796 -2.350324 -2.296843
C 2.810574 2.347641 0.043588
C -3.034427 2.843578 0.678302
C -3.649026 2.182606 -0.380363
C -1.854809 -1.502219 -3.521674
C 3.341173 2.070748 -2.352701
C 4.115072 4.056942 -1.149279
H 1.101764 1.806925 2.199979
H 1.935251 0.327676 1.679703
H 1.371421 0.908430 -0.757695
H 0.652288 2.428019 -0.221981
H -1.430522 2.817277 2.149812
H -1.170688 -0.636322 2.906144
H 2.083619 -3.211439 3.094408
H 1.031955 -1.802585 2.886675
H 0.364329 -3.433508 2.755764
H 2.671359 -0.949550 1.085447
H 3.678570 -2.405253 1.190495
H 2.985648 -1.921563 -0.362969
H 2.604423 -4.737221 1.059470
H 0.877331 -4.890366 0.700233
H 1.977621 -4.308485 -0.541307
H -3.653997 0.430699 -1.665423
H -2.041748 -3.436272 -2.524817
H -3.242292 -2.210929 -1.986169
H 2.847517 3.105894 0.856171
H 3.601095 1.601812 0.270878
H -3.423310 3.801109 1.021598
H -4.518083 2.624373 -0.866198
H -1.957741 -0.427294 -3.320909
H -2.517171 -1.750367 -4.359516
H -0.821313 -1.665145 -3.860168
H 2.517007 1.343204 -2.437072
H 4.278356 1.513217 -2.212868
H 3.396474 2.609856 -3.311522
H 5.094550 3.650136 -0.860207
H 3.819640 4.817631 -0.409020
H 4.228698 4.576911 -2.113983


%chk=000216358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216358

0 1
O -0.457746 0.041767 2.909159
N -1.339153 -1.941803 -1.137635
N -0.279103 -2.781941 -0.760682
N 3.165386 2.994916 -1.245174
C -0.297973 0.343642 1.458648
C -0.301353 -0.899679 0.564945
C -1.363011 -0.812838 -0.358074
C -1.541399 1.100161 0.918380
C 0.358799 -2.141156 0.285343
C 0.986018 1.205653 1.415925
C 1.585756 -2.787620 0.926028
C -2.155031 0.404402 -0.172979
C 1.417392 1.657282 0.005636
C -2.080583 2.305171 1.385673
C 1.457484 -2.740008 2.475042
C 2.861679 -2.006463 0.485234
C 1.727720 -4.264124 0.471214
C -3.299572 0.928651 -0.808295
C -2.186938 -2.320715 -2.276298
C 2.765647 2.404500 0.054825
C -3.238229 2.833545 0.752512
C -3.835523 2.153069 -0.334636
C -1.810903 -1.572782 -3.572132
C 3.439240 1.981404 -2.283936
C 4.296723 3.932758 -1.091696
H 0.814326 2.087711 2.063536
H 1.791911 0.617540 1.895998
H 1.493194 0.770317 -0.651015
H 0.658170 2.329192 -0.436768
H -1.621659 2.826874 2.232506
H -1.238678 -0.561718 3.009107
H 2.373872 -3.149100 2.940694
H 1.303044 -1.711130 2.844534
H 0.600019 -3.351530 2.813162
H 2.825338 -0.951807 0.810321
H 3.761017 -2.471319 0.931534
H 2.971467 -2.025569 -0.614547
H 2.615488 -4.714305 0.953939
H 0.837222 -4.853705 0.752067
H 1.842119 -4.338653 -0.623615
H -3.775001 0.411221 -1.648909
H -2.057858 -3.407684 -2.404130
H -3.242893 -2.130447 -2.008582
H 2.684619 3.234818 0.784039
H 3.556173 1.706478 0.447638
H -3.672142 3.774883 1.107171
H -4.724613 2.575787 -0.815714
H -1.923433 -0.480312 -3.453312
H -2.464435 -1.899210 -4.401314
H -0.764062 -1.785406 -3.848919
H 2.534682 1.384840 -2.488561
H 4.264269 1.276320 -2.000646
H 3.728511 2.487036 -3.222599
H 5.238971 3.441017 -0.735025
H 4.029626 4.722459 -0.366610
H 4.513304 4.417509 -2.060808


