%chk=000194012.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194012

0 1
O 1.429334 2.835090 0.169196
O 3.231877 2.222180 -1.002912
O 5.558503 -1.999022 1.042758
O -5.196300 -1.776790 1.509200
O -6.506959 0.248082 0.241297
N 1.292621 -0.182794 -0.132635
N 6.499004 -1.412179 -0.926520
C 2.216268 0.663254 0.674952
C 3.560725 -0.025708 0.957632
C -0.143884 0.047208 0.213145
C -1.014948 -0.741395 -0.780408
C 4.344874 -0.389399 -0.305658
C -2.470631 -0.459335 -0.531542
C 2.410059 1.926494 -0.171609
C -3.184234 -1.254003 0.383302
C -3.108330 0.593166 -1.200460
C 5.486126 -1.322383 0.029450
C -4.532891 -0.983121 0.611976
C -4.463771 0.871518 -0.976681
C -5.170892 0.084221 -0.073075
H 1.767840 0.980315 1.659985
H 3.391006 -0.943218 1.567250
H 4.183296 0.629847 1.602869
H -0.355937 1.139757 0.119809
H -0.395983 -0.240566 1.256681
H 1.536305 -1.174634 -0.037326
H -0.809060 -1.828369 -0.702762
H -0.730942 -0.470459 -1.820743
H 3.682279 -0.873083 -1.057262
H 4.694644 0.541596 -0.810523
H -2.708483 -2.076131 0.915168
H -2.549598 1.207477 -1.904867
H -4.948911 1.689451 -1.502775
H 1.472677 3.671622 -0.364607
H 6.522288 -0.862653 -1.764896
H 7.289135 -2.016741 -0.761707
H -6.152471 -1.496342 1.591236
H -6.906836 0.994645 -0.265541


%chk=000194012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194012

0 1
O 1.383415 2.994397 0.238175
O 3.500074 2.551493 -0.584236
O 4.958834 -2.514922 0.646994
O -5.156902 -1.726123 1.671834
O -6.572205 0.046341 0.209443
N 1.347482 0.002401 -0.052959
N 6.373190 -1.618949 -0.955531
C 2.295991 0.807689 0.758282
C 3.631172 0.054489 0.944679
C -0.096408 0.220648 0.187009
C -0.934410 -0.678439 -0.756231
C 4.335176 -0.356780 -0.370980
C -2.429098 -0.483774 -0.550842
C 2.502848 2.164919 0.064044
C -3.115725 -1.209208 0.456953
C -3.150619 0.452843 -1.332524
C 5.236808 -1.579472 -0.163717
C -4.488876 -1.002218 0.678096
C -4.533336 0.667985 -1.117774
C -5.196309 -0.059298 -0.113997
H 1.878595 1.027111 1.769869
H 3.429168 -0.867126 1.524682
H 4.315206 0.672986 1.553764
H -0.330444 1.281553 -0.006585
H -0.387419 0.015967 1.246749
H 1.594132 -0.995957 -0.005045
H -0.661709 -1.738297 -0.576030
H -0.646788 -0.442961 -1.797347
H 3.572952 -0.634475 -1.126339
H 4.892359 0.495397 -0.794346
H -2.595413 -1.947507 1.076454
H -2.633540 1.016004 -2.117393
H -5.082868 1.392056 -1.732819
H 1.532967 3.849754 -0.251099
H 6.610663 -0.860537 -1.592243
H 6.985750 -2.432041 -0.893175
H -6.111565 -1.450822 1.679011
H -7.035351 0.702470 -0.363431


