%chk=000208729.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208729

0 1
O 0.235868 -1.555943 -1.489834
N -0.830652 0.179408 -0.541801
N -3.658802 0.526525 0.014666
C 1.148450 -0.974610 0.673141
C 1.875870 0.338531 1.032580
C 2.833989 1.013130 0.007765
C 0.154866 -0.821144 -0.509704
C 0.340861 -1.460033 1.896341
C 2.136393 -2.086481 0.290163
C -1.839642 0.141195 -1.639752
C -1.297125 1.003032 0.596649
C 4.186014 0.277055 -0.056664
C 3.094054 2.452710 0.518243
C 2.230951 1.094500 -1.400162
C -3.206398 -0.347741 -1.119052
C -2.654852 0.495461 1.130029
C -4.995906 0.082633 0.509632
H 2.460161 0.150660 1.957068
H 1.106453 1.087439 1.324285
H 1.010431 -1.788737 2.700067
H -0.290387 -2.319044 1.638735
H -0.305017 -0.682451 2.314027
H 1.611240 -3.008245 0.006647
H 2.740032 -1.798386 -0.585270
H 2.821249 -2.317042 1.110177
H -1.479520 -0.528670 -2.456847
H -1.930120 1.167201 -2.060266
H -1.410797 2.053409 0.234063
H -0.535962 1.023621 1.410488
H 4.074717 -0.718922 -0.507151
H 4.907693 0.826445 -0.669496
H 4.627566 0.145318 0.934383
H 3.520785 2.455210 1.524829
H 3.799514 2.978415 -0.133642
H 2.175509 3.045905 0.539019
H 2.878769 1.656372 -2.080443
H 1.254232 1.589979 -1.397766
H 2.090596 0.101152 -1.846941
H -3.956915 -0.264775 -1.934621
H -3.142502 -1.422360 -0.843972
H -2.537455 -0.511844 1.582949
H -3.012198 1.176668 1.931694
H -5.725649 0.166840 -0.312419
H -5.330820 0.768568 1.304246
H -5.032344 -0.945154 0.899215


%chk=000208729-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208729

0 1
O 0.315582 -1.703563 -1.528126
N -0.937995 -0.115694 -0.426247
N -3.723040 0.585255 -0.047171
C 1.217340 -1.058904 0.668721
C 1.947382 0.290437 1.019807
C 2.859385 1.062393 -0.001649
C 0.172302 -0.963786 -0.497727
C 0.509673 -1.582408 1.963348
C 2.240827 -2.157323 0.267561
C -1.881643 -0.088854 -1.572381
C -1.345594 0.830756 0.631464
C 4.257358 0.403401 -0.168566
C 3.083879 2.478232 0.609138
C 2.195567 1.225272 -1.393893
C -3.316526 -0.379805 -1.098224
C -2.787726 0.536554 1.097997
C -5.130236 0.420382 0.363027
H 2.572755 0.069691 1.911732
H 1.191515 1.019100 1.369537
H 1.278706 -1.876233 2.702108
H -0.097659 -2.477112 1.735070
H -0.146479 -0.839705 2.448471
H 1.754302 -3.148050 0.252823
H 2.645073 -1.992261 -0.741604
H 3.070514 -2.178565 0.998453
H -1.542415 -0.840524 -2.301545
H -1.849863 0.916340 -2.039098
H -1.313547 1.861636 0.221234
H -0.668794 0.782355 1.491159
H 4.204547 -0.573081 -0.675610
H 4.912677 1.058824 -0.773834
H 4.745477 0.253232 0.813697
H 3.529139 2.411250 1.620777
H 3.769256 3.072317 -0.024034
H 2.130391 3.034489 0.692317
H 2.828441 1.862635 -2.040637
H 1.202629 1.707548 -1.313444
H 2.059620 0.255507 -1.903047
H -4.008800 -0.281120 -1.955180
H -3.371429 -1.437300 -0.732261
H -2.805527 -0.461982 1.609600
H -3.092008 1.301838 1.837174
H -5.787907 0.533884 -0.517356
H -5.399819 1.204126 1.093806
H -5.344130 -0.575381 0.827915


