%chk=000237313.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237313

0 1
O 3.120356 -1.688834 -0.641518
N 6.693446 0.944581 -0.837398
N 4.669986 -0.609980 0.699155
N 2.331816 0.008255 0.729812
N -3.210038 -0.357294 -0.347297
N -4.047059 0.321550 0.297649
C 5.622907 1.599663 -0.030815
C 6.271780 -0.430866 -1.236923
C 5.107305 0.743049 1.146981
C 5.745370 -1.302428 -0.078646
C 8.004655 0.941194 -0.125947
C 3.352146 -0.804659 0.166079
C 0.937242 -0.115011 0.458407
C 0.419539 -1.019090 -0.487971
C 0.069798 0.740122 1.177616
C -0.950946 -1.066128 -0.718259
C -1.299535 0.687128 0.943088
C -1.821359 -0.213943 -0.006288
C -5.439999 0.180961 -0.060144
C -6.345891 0.662672 0.904940
C -5.909489 -0.342101 -1.278657
C -7.715895 0.611968 0.643988
C -7.282992 -0.381108 -1.525794
C -8.185654 0.092894 -0.567958
H 4.787654 1.829568 -0.731886
H 5.992204 2.578141 0.341204
H 7.118005 -0.940657 -1.743111
H 5.477832 -0.313598 -2.011801
H 5.916907 0.587965 1.898024
H 4.290446 1.265719 1.685283
H 5.348432 -2.268500 -0.472409
H 6.555382 -1.554150 0.638924
H 8.027127 0.372466 0.814178
H 8.300014 1.981019 0.088405
H 8.771948 0.524780 -0.799677
H 2.588313 0.672493 1.466507
H 1.091627 -1.687868 -1.040631
H 0.459737 1.439216 1.913066
H -1.359592 -1.765936 -1.452046
H -1.976620 1.344707 1.494653
H -5.972571 1.069005 1.845451
H -5.201758 -0.713900 -2.021175
H -8.421760 0.979842 1.387385
H -7.651335 -0.784025 -2.468353
H -9.255782 0.058619 -0.765489


%chk=000237313-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237313

0 1
O 3.082281 -1.678048 -1.133242
N 7.262142 0.921539 -0.331317
N 4.583896 -0.230905 -0.077298
N 2.245388 0.028056 0.257423
N -3.375990 -0.465793 -0.388165
N -4.138617 0.349224 0.302236
C 6.098930 1.745085 0.049026
C 6.823319 -0.219166 -1.172768
C 4.950949 0.943252 0.744232
C 5.724895 -1.081407 -0.500490
C 8.171957 0.568826 0.777661
C 3.289670 -0.686631 -0.366089
C 0.851991 -0.132560 0.070869
C 0.272099 -1.081483 -0.816840
C -0.000114 0.727868 0.832018
C -1.127518 -1.148774 -0.929712
C -1.391302 0.653394 0.712750
C -1.977283 -0.293486 -0.178816
C -5.544843 0.166514 0.090427
C -6.384861 1.058537 0.808693
C -6.121880 -0.819236 -0.761343
C -7.787031 0.972832 0.679193
C -7.521530 -0.898947 -0.883632
C -8.359730 -0.005995 -0.166853
H 5.684836 2.202907 -0.870641
H 6.430460 2.559815 0.719077
H 7.698150 -0.850821 -1.411306
H 6.425437 0.185849 -2.123185
H 5.268744 0.619276 1.758690
H 4.097650 1.634751 0.856366
H 5.328874 -1.839349 -1.195051
H 6.138192 -1.605913 0.387260
H 7.735048 -0.087912 1.568810
H 8.522374 1.495751 1.266571
H 9.056494 0.051027 0.365703
H 2.502319 0.727877 0.954404
H 0.924022 -1.743981 -1.387185
H 0.447877 1.458908 1.519101
H -1.595399 -1.871703 -1.606258
H -2.050089 1.308970 1.289928
H -5.912813 1.804686 1.456686
H -5.456645 -1.497087 -1.304837
H -8.430960 1.663746 1.234357
H -7.969040 -1.656372 -1.537432
H -9.448649 -0.075625 -0.268419


