%chk=000208643.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208643

0 1
O -0.076702 2.407255 0.057411
N -0.777959 0.224865 0.003601
N 0.814297 -1.638149 -0.037717
N -1.628512 -1.949079 -0.050326
C -0.516860 -1.196859 -0.029957
C -2.201663 0.333082 0.003226
C 1.600747 0.681894 0.019530
C 1.869789 -0.708226 -0.013263
C 0.240976 1.240187 0.030081
C -2.704443 -1.015931 -0.030185
C 3.199744 -1.186522 -0.021974
C 2.693864 1.579150 0.043349
C 4.256600 -0.278499 0.002045
C -3.050129 1.440404 0.028020
C 3.995650 1.114005 0.034914
C -4.085349 -1.244878 -0.038560
C -4.419306 1.182274 0.018970
C -4.925541 -0.134347 -0.013672
C 5.668971 -0.755185 -0.006432
H 0.986949 -2.644676 -0.061655
H 3.396673 -2.255399 -0.047227
H 2.481235 2.654488 0.068717
H -2.644278 2.452211 0.053140
H 4.828035 1.814882 0.053477
H -4.472336 -2.261683 -0.063760
H -5.120246 2.016585 0.037522
H -6.005495 -0.281187 -0.019448
H 6.212719 -0.409583 0.886981
H 5.758930 -1.849647 -0.031859
H 6.216040 -0.368232 -0.880651


%chk=000208643-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208643

0 1
O -0.100457 2.448595 0.058631
N -0.784052 0.207686 0.003355
N 0.789184 -1.613698 -0.037166
N -1.616452 -1.953097 -0.050186
C -0.523909 -1.189390 -0.029655
C -2.199124 0.332115 0.003357
C 1.593691 0.692120 0.019913
C 1.860877 -0.712944 -0.013328
C 0.213584 1.225468 0.029843
C -2.689570 -1.017993 -0.030037
C 3.200834 -1.182650 -0.021884
C 2.690163 1.593766 0.043891
C 4.281224 -0.279632 0.001995
C -3.048518 1.453111 0.028290
C 4.009055 1.123307 0.035244
C -4.078711 -1.259836 -0.038896
C -4.437577 1.188542 0.018839
C -4.942421 -0.141874 -0.014127
C 5.714071 -0.776909 -0.007120
H 0.947118 -2.621851 -0.060946
H 3.393198 -2.262379 -0.047447
H 2.462863 2.664546 0.069295
H -2.646984 2.468105 0.053540
H 4.844883 1.831482 0.054097
H -4.461380 -2.284199 -0.064252
H -5.140447 2.028419 0.037351
H -6.026416 -0.300738 -0.020345
H 6.258551 -0.429691 0.890787
H 5.767757 -1.878265 -0.032294
H 6.261362 -0.388914 -0.886448


