%chk=000192624.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192624

0 1
O 0.441815 -0.089012 0.426066
O 4.450414 1.593170 -1.738677
N -7.340401 -0.567469 -1.662582
N -7.174535 -1.094850 0.537569
N -7.527837 -1.897195 -1.429904
N -7.424107 -2.194015 -0.098000
C -6.828014 1.413513 -0.102537
C -5.394187 1.749329 -0.590876
C -4.300469 0.910128 0.078977
C -2.910948 1.282458 -0.456497
C -6.978749 1.656447 1.404557
C -7.841993 2.283696 -0.868077
C -7.115701 -0.039922 -0.422975
C -1.819872 0.444110 0.217099
C -0.438582 0.811690 -0.320048
C 1.790773 -0.024728 0.196972
C 2.549841 -0.926212 0.991187
C 1.871962 -1.858176 1.956104
C 2.398504 0.836718 -0.720765
C 3.933976 -0.929122 0.839582
C 4.596423 -0.076275 -0.065069
C 3.797930 0.785875 -0.839503
C 6.065551 -0.106406 -0.178246
C 1.775495 -3.276759 1.394575
C 6.683701 -0.137747 -1.440388
C 6.861633 -0.115712 0.980406
C 8.075278 -0.191729 -1.538850
C 8.253525 -0.168932 0.873984
C 8.863661 -0.210977 -0.383413
H -5.345977 1.615466 -1.690551
H -5.203175 2.825123 -0.410450
H -4.332593 1.050897 1.177930
H -4.491063 -0.168910 -0.086190
H -2.719656 2.360304 -0.288007
H -2.880134 1.134244 -1.553922
H -6.751093 2.694586 1.665786
H -6.310842 1.010728 1.991465
H -7.997773 1.440210 1.748735
H -7.683253 3.348512 -0.667809
H -7.771647 2.135639 -1.953110
H -8.872671 2.047975 -0.578022
H -2.002618 -0.639260 0.060773
H -1.839898 0.582422 1.317649
H -0.151403 1.851568 -0.092802
H -0.325663 0.599663 -1.396097
H -7.722860 -2.563328 -2.172648
H 0.852353 -1.481301 2.192694
H 2.418236 -1.866844 2.921059
H 4.531984 -1.621895 1.438151
H 1.825013 1.521347 -1.329202
H 1.204605 -3.292137 0.458020
H 1.275659 -3.949255 2.099459
H 2.765457 -3.693576 1.177856
H 6.069353 -0.105637 -2.339960
H 6.394367 -0.069188 1.961714
H 3.830816 2.206180 -2.205339
H 8.547590 -0.217316 -2.519072
H 8.864583 -0.174890 1.774588
H 9.947016 -0.254421 -0.463067


%chk=000192624-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192624

0 1
O 0.493294 -0.169725 0.704655
O 4.319315 1.589310 -1.861149
N -7.296798 -0.455620 -1.898492
N -7.357092 -1.098503 0.305329
N -7.519458 -1.796649 -1.739658
N -7.566632 -2.226079 -0.421107
C -6.914635 1.399397 -0.200183
C -5.419060 1.732086 -0.542674
C -4.353954 0.906152 0.211102
C -2.922123 1.211925 -0.284554
C -7.200132 1.598771 1.310004
C -7.829010 2.340990 -1.035557
C -7.197147 -0.037241 -0.594765
C -1.846749 0.391347 0.463793
C -0.437976 0.678081 -0.060106
C 1.863146 -0.098426 0.397813
C 2.717304 -0.934543 1.173510
C 2.148502 -1.867742 2.230120
C 2.396456 0.732423 -0.613087
C 4.096229 -0.887212 0.891664
C 4.686317 -0.065841 -0.111736
C 3.789814 0.743235 -0.861809
C 6.164151 -0.075014 -0.311776
C 1.507761 -3.144364 1.621985
C 6.757734 0.053774 -1.599196
C 7.030402 -0.253372 0.805038
C 8.158257 -0.007284 -1.761228
C 8.430709 -0.313385 0.643163
C 9.004609 -0.193562 -0.643628
H -5.281209 1.593926 -1.634386
H -5.263937 2.810230 -0.333438
H -4.413863 1.110365 1.297967
H -4.557134 -0.176499 0.086692
H -2.715646 2.296441 -0.165303
H -2.861833 0.999683 -1.372814
H -6.923580 2.627739 1.605265
H -6.638270 0.885355 1.933926
H -8.272559 1.451245 1.529028
H -7.622659 3.393710 -0.769497
H -7.653269 2.209648 -2.117369
H -8.896115 2.138032 -0.832968
H -2.054438 -0.690456 0.355322
H -1.881067 0.617622 1.546570
H -0.170319 1.746972 0.081336
H -0.361428 0.433061 -1.141038
H -7.652702 -2.430687 -2.526885
H 1.379357 -1.335801 2.820369
H 2.955751 -2.160262 2.928071
H 4.756227 -1.547284 1.466472
H 1.742909 1.376271 -1.212779
H 0.676497 -2.873424 0.948244
H 1.106880 -3.798810 2.418118
H 2.250268 -3.721288 1.041321
H 6.115767 0.203484 -2.470648
H 6.604625 -0.315767 1.813226
H 3.613209 2.184008 -2.217042
H 8.589591 0.089306 -2.764359
H 9.073488 -0.442716 1.521584
H 10.092022 -0.238235 -0.772156


