%chk=000191784.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191784

0 1
O 0.300667 0.620791 0.303442
O -5.241073 0.211491 1.296864
O -5.247244 -0.906697 -0.681524
O 2.379954 1.136287 2.076632
N 3.520467 -0.739152 -0.874027
C -4.409236 -0.558469 0.425467
C -4.009093 -1.795502 1.235536
C -2.817590 -1.465513 2.137454
C -1.612510 -0.994968 1.315548
C -1.967387 0.064627 0.313832
C -3.269252 0.259086 -0.151550
C -0.945082 0.892926 -0.226248
C 4.931887 -1.254627 -0.865161
C -3.548842 1.222612 -1.138057
C 2.609504 0.905733 0.683051
C 2.862985 -0.602486 0.452942
C 1.426705 1.437702 -0.142690
C -1.209874 1.862648 -1.193627
C -2.526638 2.014068 -1.651425
C 5.379634 -1.309803 -2.340613
C 5.823832 -0.275097 -0.084222
C 5.032151 -2.666972 -0.247012
H -3.764650 -2.619885 0.536815
H -4.868745 -2.136661 1.845828
H -2.543045 -2.348812 2.743496
H -3.113951 -0.674221 2.858386
H -1.159708 -1.852988 0.772009
H -0.815579 -0.621166 1.993777
H -4.568213 1.317036 -1.514247
H 1.900558 -1.156044 0.492301
H 3.479650 -0.986490 1.294809
H 3.527375 1.506796 0.475967
H 2.935013 -1.308740 -1.491963
H 1.580096 1.280393 -1.224472
H 1.209880 2.494769 0.084022
H -0.424169 2.490980 -1.600749
H -2.743411 2.757651 -2.417890
H 4.815648 -2.047730 -2.918468
H 6.439118 -1.571971 -2.420187
H 5.243567 -0.336550 -2.828751
H 5.548171 -0.218696 0.974436
H 5.743354 0.738958 -0.494048
H 6.876055 -0.570752 -0.133779
H 4.742726 -2.671045 0.808359
H 6.057645 -3.047023 -0.298341
H 4.394906 -3.386647 -0.768212
H -5.416645 1.107413 0.944456
H -6.100501 -1.274330 -0.372584
H 1.491989 0.805573 2.338017


%chk=000191784-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191784

0 1
O 0.325438 0.513173 0.512877
O -5.260593 0.388764 1.253796
O -5.371481 -0.762526 -0.840184
O 2.351042 0.978102 2.393269
N 3.489477 -0.921779 -0.691069
C -4.513624 -0.474363 0.311748
C -4.187187 -1.740812 1.113513
C -3.107206 -1.438584 2.170296
C -1.796580 -0.971351 1.500385
C -2.015070 0.040685 0.383405
C -3.280017 0.250534 -0.221284
C -0.906032 0.786662 -0.112728
C 4.934359 -1.205966 -0.957770
C -3.432151 1.174650 -1.287700
C 2.666242 0.777479 0.969703
C 3.025586 -0.708294 0.695733
C 1.519948 1.276124 0.084805
C -1.050351 1.720657 -1.163028
C -2.322581 1.905323 -1.750388
C 5.085997 -1.306906 -2.495550
C 5.799622 -0.034132 -0.431704
C 5.404070 -2.542128 -0.303792
H -3.839523 -2.518041 0.406971
H -5.117495 -2.098906 1.594115
H -2.911389 -2.336454 2.785026
H -3.491424 -0.649782 2.842405
H -1.258838 -1.845916 1.076928
H -1.110986 -0.543752 2.255450
H -4.410426 1.276237 -1.766146
H 2.123900 -1.319452 0.896788
H 3.784326 -1.003597 1.446743
H 3.552011 1.407257 0.778276
H 2.887370 -1.568445 -1.213461
H 1.751541 1.070255 -0.977718
H 1.339663 2.356556 0.245471
H -0.192673 2.288991 -1.532804
H -2.436863 2.613926 -2.577771
H 4.462340 -2.126737 -2.903178
H 6.135379 -1.513198 -2.772482
H 4.770755 -0.363110 -2.974288
H 5.719902 0.073358 0.665552
H 5.483603 0.915453 -0.899461
H 6.863862 -0.207991 -0.673606
H 5.260484 -2.523921 0.792486
H 6.477293 -2.726698 -0.498145
H 4.830275 -3.396245 -0.710892
H -5.324626 1.295966 0.856373
H -6.205392 -1.170534 -0.489844
H 1.429120 0.637972 2.536479


