%chk=000276106.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276106

0 1
O -0.821143 -0.391099 1.737633
N 1.365389 -1.056239 -0.103107
N 2.701275 -1.379102 -0.159045
C -1.012730 -1.424579 -0.472301
C -1.292479 -0.157506 0.396698
C -1.657593 -2.670327 0.175455
C -1.476748 -3.918241 -0.696486
C 0.453414 -1.749003 -0.720897
C 0.000779 -4.175545 -1.021571
C 0.653736 -2.930698 -1.642950
C -2.798069 0.062317 0.541971
C -0.653352 1.123839 -0.135522
C -3.563969 0.442459 -0.569659
C -0.341436 2.139063 0.782494
C -3.419348 -0.112898 1.786011
C -0.403118 1.326050 -1.498401
C -4.941429 0.636453 -0.436237
C 0.223999 3.337256 0.342324
C -4.796787 0.084169 1.915467
C 0.162783 2.527936 -1.936711
C -5.560518 0.456384 0.804956
C 0.478253 3.534004 -1.019388
C 3.620819 -0.314699 0.136582
C 4.988612 -0.577941 -0.088863
C 3.214943 0.911373 0.696350
C 5.935686 0.384149 0.265223
C 4.180005 1.857280 1.039060
C 5.539872 1.600981 0.827959
H -1.488828 -1.252813 -1.472612
H -1.214267 -2.824793 1.180727
H -2.736023 -2.487485 0.351302
H -2.055632 -3.809756 -1.633888
H -1.904121 -4.797746 -0.177318
H 0.096436 -5.035351 -1.710038
H 0.544259 -4.456093 -0.097166
H 0.198132 -2.712681 -2.630538
H 1.722899 -3.127214 -1.847769
H 0.163511 -0.505691 1.735776
H -3.089089 0.601505 -1.536140
H -0.549454 1.981365 1.843471
H -2.816299 -0.399832 2.652217
H -0.636236 0.550751 -2.224900
H -5.532366 0.933096 -1.300588
H 0.463402 4.119970 1.059720
H -5.273829 -0.051037 2.884458
H 0.359581 2.677886 -2.996406
H 3.017821 -2.037694 -0.886623
H -6.632804 0.609390 0.906589
H 0.919911 4.467025 -1.362610
H 5.311868 -1.521413 -0.518414
H 2.154794 1.121831 0.852031
H 6.993214 0.181636 0.098904
H 3.868738 2.806927 1.473857
H 6.283636 2.344776 1.099912


%chk=000276106-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276106

0 1
O -0.511514 -0.147845 1.547247
N 1.392236 -0.945834 -0.198596
N 2.733274 -1.221008 -0.338926
C -0.998618 -1.323420 -0.575829
C -1.244979 -0.024693 0.275437
C -1.599136 -2.608399 0.079190
C -1.382184 -3.850225 -0.817170
C 0.473047 -1.606246 -0.876671
C 0.105124 -4.065406 -1.183240
C 0.704723 -2.775031 -1.820604
C -2.740155 0.099263 0.634900
C -0.793872 1.269319 -0.453097
C -3.700614 0.373338 -0.371469
C -0.518015 2.411976 0.341931
C -3.173703 -0.071053 1.971104
C -0.693520 1.387901 -1.861119
C -5.072834 0.461597 -0.050319
C -0.146863 3.636304 -0.252318
C -4.546576 0.026838 2.294732
C -0.318978 2.613139 -2.460135
C -5.502488 0.288138 1.286589
C -0.044471 3.743752 -1.659657
C 3.708026 -0.421455 0.294527
C 5.061163 -0.857228 0.269535
C 3.372751 0.799070 0.940162
C 6.063762 -0.082980 0.888398
C 4.387181 1.555849 1.562346
C 5.735660 1.126803 1.544933
H -1.522890 -1.199044 -1.547053
H -1.126353 -2.753014 1.069759
H -2.679393 -2.459063 0.254540
H -1.970515 -3.732039 -1.751449
H -1.775528 -4.750734 -0.307812
H 0.212426 -4.914147 -1.885583
H 0.679290 -4.318765 -0.269980
H 0.180256 -2.574912 -2.776489
H 1.769119 -2.932423 -2.079075
H 0.441788 -0.296733 1.253434
H -3.377607 0.544258 -1.405449
H -0.595999 2.319776 1.430217
H -2.422012 -0.272232 2.738757
H -0.889556 0.526334 -2.509721
H -5.803588 0.677368 -0.838361
H 0.060438 4.507533 0.379973
H -4.869311 -0.101999 3.334515
H -0.239344 2.681545 -3.551429
H 3.049663 -2.000757 -0.924577
H -6.566620 0.363069 1.538403
H 0.246313 4.692942 -2.123823
H 5.324157 -1.801367 -0.225430
H 2.338492 1.152956 0.928592
H 7.103029 -0.430034 0.862268
H 4.119985 2.496790 2.056800
H 6.515433 1.724623 2.028091


