%chk=000197297.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197297

0 1
O -5.198041 -2.021706 -0.379377
O -6.206625 0.265096 0.677715
N -2.542331 0.563079 0.462777
C 0.392094 0.866272 -0.606077
C 1.636184 1.546490 -0.320944
C -3.850788 -0.156646 0.546122
C -0.748736 1.633287 -0.810028
C 0.430253 -0.611364 -0.653810
C 1.512372 -1.301318 0.004583
C 2.787350 0.839511 0.176677
C -2.157745 1.084684 -0.882954
C 2.663405 -0.593288 0.492807
C 1.731282 2.950903 -0.489506
C 1.468074 -2.712978 0.138565
C -0.646999 3.055742 -0.931353
C -4.067633 -1.181533 -0.607028
C -4.944279 0.948041 0.498719
C 0.556872 3.695349 -0.822382
C -3.905548 -0.883754 1.895188
C -0.509796 -1.368513 -1.325711
C 3.980469 1.513805 0.364642
C 3.632997 -1.273601 1.206211
C 2.981201 3.615635 -0.294328
C 0.419431 -3.448714 -0.498389
C 4.084309 2.905915 0.109249
C 2.487398 -3.384488 0.883525
C -0.518803 -2.787655 -1.248149
C 3.531787 -2.673928 1.420476
H -2.879524 1.892083 -1.148716
H -2.231402 0.333703 -1.708970
H -1.785217 -0.016103 0.848560
H -1.557396 3.626990 -1.117498
H -3.229858 -1.901978 -0.669781
H -4.203008 -0.680416 -1.581463
H -4.815603 1.666541 1.328424
H -4.959115 1.482629 -0.463924
H 0.636367 4.773339 -0.956801
H -3.221295 -1.737826 1.934504
H -4.920219 -1.279846 2.063298
H -3.668933 -0.214981 2.730640
H -1.278038 -0.891862 -1.942560
H 4.866770 0.987165 0.720953
H 4.499905 -0.750044 1.609718
H 3.036780 4.689361 -0.466611
H 0.396229 -4.532039 -0.392784
H 5.046126 3.396573 0.252734
H 2.418154 -4.463504 1.011601
H -1.294129 -3.335481 -1.784262
H 4.306503 -3.171776 2.002830
H -5.979430 -1.470316 -0.099151
H -6.944919 0.882265 0.522243


%chk=000197297-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197297

0 1
O -5.972736 -1.345264 -0.706839
O -6.177874 0.710759 0.999814
N -2.563393 0.174156 0.205776
C 0.427638 0.773446 -0.611871
C 1.638880 1.528189 -0.330624
C -3.980655 -0.244237 0.404860
C -0.761524 1.495498 -0.935463
C 0.524335 -0.712689 -0.547995
C 1.649133 -1.327102 0.126931
C 2.813222 0.894159 0.227258
C -2.180435 0.917775 -1.012739
C 2.765727 -0.538717 0.585465
C 1.685557 2.954221 -0.580247
C 1.679477 -2.764287 0.317198
C -0.682050 2.905709 -1.160500
C -4.650986 -0.759025 -0.914094
C -4.725539 1.009065 0.940947
C 0.505835 3.617639 -1.034869
C -3.995444 -1.358631 1.473162
C -0.421341 -1.572089 -1.153132
C 3.982668 1.659702 0.421527
C 3.788725 -1.167221 1.326824
C 2.891486 3.691807 -0.357466
C 0.651005 -3.578007 -0.257709
C 4.031199 3.046541 0.124149
C 2.750425 -3.359702 1.057628
C -0.357834 -2.986966 -1.017378
C 3.776076 -2.565461 1.575163
H -2.871332 1.774026 -1.115846
H -2.307026 0.337425 -1.959893
H -1.902698 -0.574808 0.440848
H -1.600131 3.437396 -1.436549
H -4.026713 -1.564449 -1.344178
H -4.706703 0.073501 -1.652066
H -4.336598 1.251477 1.948204
H -4.552418 1.872203 0.265706
H 0.540048 4.693642 -1.239580
H -3.507251 -2.272982 1.087454
H -5.029608 -1.619141 1.747115
H -3.455519 -1.022460 2.377489
H -1.216981 -1.159317 -1.773736
H 4.888047 1.180256 0.803958
H 4.619004 -0.577288 1.725606
H 2.899614 4.767298 -0.568424
H 0.685322 -4.663670 -0.111549
H 4.960673 3.603079 0.283866
H 2.751520 -4.445531 1.206831
H -1.119325 -3.604172 -1.505933
H 4.585563 -3.017227 2.158393
H -6.471814 -0.692120 -0.136015
H -6.680348 1.492394 1.332727


