%chk=000215078.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215078

0 1
O -2.623843 1.340846 -1.281600
O -0.633610 -2.304143 0.798292
N -0.373209 0.892831 -0.648523
N 0.195174 -0.167252 0.149027
N -2.000759 -0.710952 -0.289062
C 0.004953 2.264103 -0.182792
C -1.804170 0.622677 -0.772616
C -0.794289 -1.237037 0.267043
C -0.513442 2.630274 1.215187
C -3.320528 -1.389282 -0.211526
C 1.574931 -0.518554 -0.143551
C -0.074724 4.037476 1.604307
C -4.022667 -1.095902 1.108231
C 2.206587 -1.380674 0.772755
C 2.274359 0.003919 -1.242117
C 3.552369 -1.697606 0.587322
C 3.623823 -0.321402 -1.404117
C 4.265162 -1.166182 -0.493798
H -0.401282 2.963522 -0.952796
H 1.115815 2.340253 -0.218078
H -1.619360 2.559291 1.243947
H -0.140652 1.896845 1.960055
H -3.933376 -1.036992 -1.074956
H -3.148568 -2.484882 -0.333337
H -0.456548 4.792176 0.906101
H -0.447002 4.302460 2.601851
H 1.017363 4.132491 1.631389
H -3.431611 -1.434367 1.969907
H -4.215040 -0.023605 1.241715
H -4.991382 -1.609098 1.157332
H 1.644959 -1.805779 1.607689
H 1.775623 0.644156 -1.969747
H 4.048975 -2.365542 1.291316
H 4.175099 0.083603 -2.252498
H 5.315874 -1.415771 -0.627950


%chk=000215078-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215078

0 1
O -2.827439 1.395866 -1.098084
O -0.704452 -2.475031 0.588275
N -0.544434 0.858333 -0.632395
N 0.080374 -0.282893 -0.009478
N -2.099395 -0.739330 -0.290717
C -0.087023 2.225634 -0.273796
C -1.933522 0.592284 -0.727578
C -0.887137 -1.307951 0.162016
C -0.216747 2.552373 1.230581
C -3.393817 -1.438015 -0.248369
C 1.490846 -0.499199 -0.123278
C 0.265285 3.987573 1.531035
C -4.161214 -1.174924 1.062514
C 2.139310 -1.307426 0.844086
C 2.225705 0.072736 -1.192705
C 3.526548 -1.537113 0.733594
C 3.616512 -0.151438 -1.277388
C 4.273835 -0.954491 -0.317007
H -0.725023 2.898635 -0.873408
H 0.956771 2.354726 -0.608007
H -1.274887 2.438576 1.535170
H 0.374391 1.824135 1.817728
H -3.979488 -1.091038 -1.117131
H -3.181181 -2.514669 -0.366735
H -0.328912 4.734469 0.972293
H 0.169465 4.218419 2.606728
H 1.327551 4.120625 1.252392
H -3.579173 -1.521126 1.934133
H -4.379647 -0.099545 1.179299
H -5.120785 -1.722357 1.050407
H 1.556662 -1.759037 1.650802
H 1.705591 0.651813 -1.962205
H 4.025385 -2.168762 1.476525
H 4.182682 0.289813 -2.105015
H 5.352364 -1.129764 -0.389881


