%chk=000216363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216363

0 1
O -0.156244 0.345177 -2.261683
N -1.806550 3.920279 0.892085
N 0.491531 -2.849171 0.823267
N 1.749009 -2.322859 0.820073
C -0.516216 1.550630 -0.261358
C -0.552186 0.142149 -0.895098
C -1.119478 1.543102 1.152942
C -1.254134 2.583024 -1.130293
C 0.350657 -0.857957 -0.215131
C -1.911327 -0.597245 -0.839268
C -1.066614 2.950505 1.767834
C -1.201490 3.973887 -0.481210
C -0.396084 -1.995058 0.211660
C -1.794526 -1.862784 -0.169393
C 1.687467 -1.095391 0.174622
C -3.132380 -0.193674 -1.337243
C -2.887851 -2.693548 -0.006913
C -1.795607 5.280675 1.510843
C 0.213069 -4.149499 1.473639
C 2.868838 -0.259367 -0.039894
C -4.249048 -1.042204 -1.174458
C -4.129068 -2.265165 -0.522357
C -0.542885 -3.951843 2.782742
C 3.987496 -0.367680 0.804003
C 2.883591 0.660962 -1.102995
C 5.105007 0.442096 0.587731
C 4.004721 1.466197 -1.311332
C 5.115606 1.359856 -0.467469
H 0.562808 1.847622 -0.195805
H -0.578095 0.828941 1.800646
H -2.172722 1.197976 1.113884
H -2.311429 2.277333 -1.269523
H -0.804239 2.614263 -2.142043
H -1.571807 2.938475 2.757922
H -0.010647 3.247387 1.946032
H -0.156953 4.352973 -0.479042
H -1.803120 4.686153 -1.086409
H -0.064741 -0.516190 -2.722700
H -3.237016 0.770234 -1.840992
H -2.803841 -3.650418 0.499594
H -0.797784 5.720662 1.652132
H -2.295310 5.231599 2.491431
H -2.390247 5.963631 0.883407
H -0.373029 -4.778810 0.764039
H 1.183975 -4.673942 1.657124
H -5.215115 -0.725590 -1.565674
H -5.001426 -2.906698 -0.403855
H 0.044972 -3.364253 3.503114
H -0.769239 -4.915593 3.254977
H -1.492733 -3.419831 2.637940
H 3.980129 -1.088256 1.622834
H 2.016019 0.742162 -1.767361
H 5.970004 0.356090 1.242706
H 4.013434 2.177464 -2.135410
H 5.987548 1.989022 -0.633314


%chk=000216363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216363

0 1
O -0.164237 0.430586 -2.430359
N -1.749258 3.880965 1.047388
N 0.429632 -2.736131 0.895430
N 1.728209 -2.214638 0.900213
C -0.627858 1.536862 -0.334519
C -0.591453 0.139783 -1.035683
C -1.067369 1.477579 1.147801
C -1.490247 2.590964 -1.068411
C 0.325326 -0.842243 -0.309027
C -1.933966 -0.644954 -1.009842
C -0.950216 2.875750 1.788138
C -1.341228 3.960085 -0.376004
C -0.422241 -1.926359 0.181677
C -1.820999 -1.853214 -0.242014
C 1.662360 -1.043201 0.156548
C -3.143203 -0.335495 -1.649462
C -2.924040 -2.713973 -0.073917
C -1.730116 5.199522 1.707464
C 0.143720 -3.960651 1.657170
C 2.884920 -0.246439 -0.061506
C -4.254619 -1.207664 -1.492145
C -4.148425 -2.376337 -0.703377
C -0.547376 -3.670172 3.005271
C 4.039960 -0.466841 0.738564
C 2.933921 0.742603 -1.082703
C 5.210810 0.289774 0.529251
C 4.108140 1.498919 -1.286661
C 5.250639 1.279797 -0.482258
H 0.423573 1.894308 -0.359166
H -0.438676 0.766734 1.716172
H -2.118173 1.137159 1.215210
H -2.557072 2.302980 -1.027204
H -1.185841 2.664619 -2.127142
H -1.316227 2.843781 2.832044
H 0.134578 3.167759 1.825320
H -0.277772 4.309593 -0.477009
H -1.981635 4.709737 -0.878782
H -0.065340 -0.435803 -2.902406
H -3.226726 0.556075 -2.277548
H -2.845519 -3.632274 0.518405
H -0.708082 5.656398 1.756913
H -2.110617 5.105268 2.740828
H -2.389527 5.899139 1.162361
H -0.480968 -4.625164 1.032054
H 1.115560 -4.455115 1.815714
H -5.202881 -0.972208 -1.987618
H -5.016979 -3.033969 -0.586872
H 0.088372 -3.021466 3.631853
H -0.725940 -4.614875 3.549844
H -1.519748 -3.166794 2.859688
H 4.001273 -1.234333 1.518170
H 2.061386 0.896334 -1.729018
H 6.092991 0.110782 1.154652
H 4.133123 2.255158 -2.079636
H 6.160782 1.868798 -0.642854


