%chk=000217729.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217729

0 1
O -2.590286 -0.316608 -1.970218
O 3.460308 -0.139751 0.258179
N -5.239684 0.161064 -0.380438
N -2.080314 -0.904353 0.194058
C -4.622386 1.088323 0.627950
C -6.650262 -0.181940 0.010269
C -5.448906 2.381883 0.727220
C -7.499024 1.097134 0.087126
C -6.907422 2.089031 1.094764
C -4.428849 -1.096561 -0.548450
C -4.948111 -1.907669 -1.740209
C -2.966322 -0.712261 -0.888161
C -0.659611 -0.692739 0.156679
C 0.153761 -1.282610 1.167106
C -0.072567 0.092124 -0.846604
C 1.527575 -1.055213 1.150454
C 2.092878 -0.260741 0.132663
C 1.307198 0.314029 -0.868933
C -0.432019 -2.139669 2.243848
C 4.159957 0.668581 -0.737961
C 5.614690 0.587129 -0.364334
C 6.479269 1.620488 -0.756182
C 6.113323 -0.513908 0.344684
C 7.838443 1.544160 -0.441715
C 7.472942 -0.580394 0.661413
C 8.337081 0.445690 0.266991
H -3.600615 1.355410 0.274744
H -4.518583 0.626348 1.632014
H -6.704574 -0.731367 0.974545
H -7.070505 -0.851271 -0.773600
H -5.410771 2.911582 -0.247399
H -4.987647 3.058604 1.469024
H -8.538250 0.838042 0.357735
H -7.542667 1.567974 -0.916583
H -7.495290 3.025551 1.099921
H -6.971480 1.680092 2.120264
H -4.459109 -1.739707 0.370186
H -4.934782 -1.290819 -2.655955
H -5.978681 -2.246696 -1.591152
H -4.322541 -2.786334 -1.931466
H -2.447969 -1.242006 1.081853
H -0.696721 0.533157 -1.634524
H 2.182330 -1.481319 1.908079
H 1.734002 0.921224 -1.659834
H -0.995350 -2.985677 1.824609
H -1.099335 -1.565947 2.901411
H 0.342554 -2.575468 2.892405
H 3.975638 0.231369 -1.738058
H 3.764400 1.699344 -0.685844
H 6.098297 2.480675 -1.302514
H 5.430629 -1.308120 0.653122
H 8.510596 2.344139 -0.747688
H 7.858342 -1.434559 1.215823
H 9.395922 0.391060 0.511781


%chk=000217729-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217729

0 1
O -2.713195 0.211478 -1.935281
O 3.550425 -0.173211 0.360533
N -5.324491 0.199983 -0.346348
N -2.053922 -0.900146 0.029191
C -4.797258 1.055759 0.750083
C -6.737014 -0.190561 -0.093871
C -5.648031 2.326770 0.936740
C -7.641805 1.048325 0.074418
C -7.125188 1.966238 1.202813
C -4.436655 -0.965287 -0.610202
C -4.896643 -1.808347 -1.821265
C -2.993831 -0.473133 -0.909180
C -0.643969 -0.681442 0.054263
C 0.091693 -1.200938 1.169829
C 0.032600 0.021799 -0.972104
C 1.483971 -1.000677 1.213523
C 2.160354 -0.301144 0.185047
C 1.429583 0.213439 -0.910527
C -0.606186 -1.951239 2.293054
C 4.297664 0.523962 -0.694661
C 5.774528 0.504278 -0.346714
C 6.633493 1.474478 -0.920674
C 6.320600 -0.485210 0.505753
C 8.021192 1.449314 -0.657963
C 7.708034 -0.505558 0.774554
C 8.563741 0.457388 0.191758
H -3.760492 1.344613 0.502882
H -4.766124 0.487651 1.721616
H -6.817005 -0.831182 0.827445
H -7.101648 -0.788995 -0.945153
H -5.575061 2.936438 0.015962
H -5.230708 2.924473 1.769779
H -8.676914 0.713546 0.280203
H -7.653824 1.608485 -0.880393
H -7.743913 2.880467 1.274880
H -7.208868 1.439609 2.176587
H -4.399551 -1.637051 0.296777
H -5.003403 -1.150291 -2.699482
H -5.851138 -2.326333 -1.629597
H -4.140372 -2.578986 -2.055159
H -2.436013 -1.429244 0.816027
H -0.545253 0.416780 -1.809531
H 2.071666 -1.384102 2.053954
H 1.919670 0.764412 -1.717997
H -1.112675 -2.868850 1.930958
H -1.365858 -1.323899 2.801855
H 0.119185 -2.265445 3.060726
H 4.118920 0.008346 -1.663581
H 3.933828 1.568106 -0.789804
H 6.219446 2.254301 -1.572943
H 5.651385 -1.220447 0.961657
H 8.674670 2.205168 -1.107890
H 8.120633 -1.272695 1.439741
H 9.639226 0.439309 0.400808


