%chk=000181148.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181148

0 1
O 2.871818 -0.275322 -0.345593
N 1.937147 1.940807 -0.187706
N -4.037784 1.147279 -0.038743
C 0.484014 -0.106656 0.222836
C 0.563447 1.360040 -0.339365
C 1.592383 -0.950049 -0.454880
C -0.489748 2.329181 0.263099
C -0.906247 -0.667300 0.046470
C 2.906026 1.069127 -0.905985
C -1.938919 0.293233 0.043643
C -1.837564 1.726611 0.137519
C -3.314609 -0.054431 -0.068769
C 1.885600 -2.283755 0.218124
C 2.331394 2.204267 1.226781
C -1.293603 -1.992052 -0.061131
C -3.123053 2.230660 0.085017
C 4.362477 1.480742 -0.754724
C -3.692378 -1.411013 -0.181909
C -2.669213 -2.343642 -0.175721
C 2.242256 -2.225627 1.666820
C 1.855868 -3.419768 -0.482879
H 0.686618 -0.064443 1.323849
H 0.361405 1.309188 -1.445294
H 1.365716 -1.077521 -1.538109
H -0.420410 3.306913 -0.255943
H -0.265131 2.538574 1.332163
H 2.600972 1.013752 -1.979325
H 3.152746 2.939197 1.224266
H 2.667361 1.303192 1.764982
H 1.493943 2.651277 1.786697
H -0.562140 -2.796727 -0.056094
H -3.469860 3.245554 0.123489
H 4.756201 1.210550 0.234757
H 4.988266 0.961334 -1.491432
H 4.487897 2.561128 -0.893872
H -5.030632 1.240186 -0.099240
H -4.732144 -1.700600 -0.268798
H -2.913368 -3.403446 -0.260377
H 2.966218 -1.413543 1.847799
H 1.358055 -2.032992 2.289369
H 2.699895 -3.156046 2.025159
H 2.074761 -4.386001 -0.054781
H 1.620623 -3.474756 -1.534372


%chk=000181148-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181148

0 1
O 2.947538 -0.293541 -0.272861
N 1.962920 1.946267 -0.139351
N -4.039553 1.156650 -0.105721
C 0.505014 -0.116821 0.298922
C 0.589067 1.371638 -0.252229
C 1.627473 -0.977145 -0.375498
C -0.477908 2.324470 0.357820
C -0.915998 -0.671183 0.100261
C 2.897226 1.087760 -0.864771
C -1.954430 0.292068 0.053065
C -1.843140 1.723187 0.153162
C -3.331142 -0.052851 -0.107454
C 1.890370 -2.352649 0.234221
C 2.393423 2.351392 1.218159
C -1.316169 -2.019827 -0.022030
C -3.133878 2.232503 0.050639
C 4.346689 1.564745 -0.901081
C -3.726783 -1.405004 -0.224993
C -2.694980 -2.367810 -0.179782
C 2.137433 -2.400034 1.728737
C 1.972918 -3.451246 -0.559460
H 0.722534 -0.073813 1.387162
H 0.376273 1.310009 -1.341608
H 1.371748 -1.091022 -1.454549
H -0.368287 3.320050 -0.110679
H -0.288663 2.452898 1.442587
H 2.495630 0.984347 -1.897538
H 3.389702 2.818205 1.157303
H 2.450664 1.511621 1.946565
H 1.704253 3.114622 1.614035
H -0.575356 -2.822569 -0.000789
H -3.492001 3.260218 0.073098
H 4.825827 1.462238 0.087152
H 4.915878 0.944002 -1.612211
H 4.397882 2.618734 -1.225140
H -5.046467 1.253811 -0.211793
H -4.773390 -1.704941 -0.346601
H -2.957663 -3.428512 -0.268291
H 2.898859 -1.648620 2.007607
H 1.216583 -2.168877 2.299774
H 2.490721 -3.395782 2.046051
H 2.215722 -4.439719 -0.151687
H 1.809767 -3.392367 -1.642407


