%chk=000181907.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181907

0 1
O -3.586011 1.744809 -0.771473
O 2.873017 0.070325 -0.940889
O 2.607303 3.241002 -0.476856
O 4.701882 -0.670296 2.675024
N -5.460154 -1.366391 0.879269
C -5.678628 0.904653 -0.094389
C -5.603827 -0.600260 -0.395078
C -5.294454 -2.838653 0.675208
C -4.359304 1.451241 0.442661
C -2.211547 1.816278 -0.587218
C -1.440078 0.637961 -0.482355
C -1.619979 3.097442 -0.624955
C 0.555302 2.027871 -0.406799
C -4.942369 -3.458525 2.034774
C -6.534992 -3.523208 0.075876
C -0.049274 0.762704 -0.387826
C -0.226824 3.186875 -0.537163
C -2.078336 -0.708048 -0.483053
C -2.453859 4.325135 -0.764453
C 2.023571 2.198034 -0.301503
C 2.829634 0.967449 0.112262
C 4.257709 -1.397080 0.455563
C 3.616113 -1.098154 -0.752996
C 3.414385 0.771782 1.302171
C 4.183937 -0.453814 1.600026
C 4.971868 -2.608128 0.539215
C 3.654060 -1.946872 -1.871580
C 5.024588 -3.466988 -0.554081
C 4.368487 -3.134991 -1.754279
H -5.937504 1.446821 -1.030364
H -6.491505 1.124381 0.624005
H -6.485946 -0.906789 -0.996413
H -4.694953 -0.797930 -1.022782
H -4.429221 -2.984229 -0.024499
H -4.476975 2.411420 0.971328
H -3.819880 0.726772 1.077045
H -6.258228 -1.178599 1.493868
H -4.101088 -2.928341 2.500457
H -4.655576 -4.509256 1.926257
H -5.779396 -3.415940 2.739435
H -6.375794 -4.602062 -0.029543
H -7.420721 -3.391600 0.705533
H -6.774621 -3.133685 -0.918316
H 0.563957 -0.138158 -0.312918
H 0.264433 4.163958 -0.568426
H -2.204419 -1.094586 0.540466
H -3.092925 -0.678311 -0.932079
H -1.493520 -1.445226 -1.046902
H -2.134239 4.933958 -1.622332
H -3.515997 4.077230 -0.926028
H -2.392469 4.958352 0.131126
H 3.365415 1.509598 2.106087
H 5.479097 -2.851454 1.478616
H 3.142884 -1.666110 -2.789967
H 5.578196 -4.402351 -0.486408
H 4.422577 -3.818619 -2.603652


%chk=000181907-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181907

0 1
O -3.614974 1.375760 -0.301774
O 2.688108 -0.160731 -0.472242
O 2.477992 3.383341 -0.204849
O 6.511384 0.481742 1.118222
N -5.802233 -1.376413 0.622682
C -5.868195 1.117857 0.549225
C -6.131762 -0.199988 -0.213036
C -5.667464 -2.681212 -0.081037
C -4.404308 1.283744 0.959820
C -2.216385 1.521281 -0.196619
C -1.385603 0.475906 0.302859
C -1.669792 2.738427 -0.710434
C 0.585587 1.888995 -0.180617
C -5.123227 -3.727921 0.912805
C -6.975892 -3.179978 -0.755385
C 0.012452 0.680257 0.295179
C -0.274551 2.906805 -0.679727
C -1.955080 -0.844572 0.789840
C -2.585563 3.806783 -1.272995
C 2.042334 2.189911 -0.136514
C 3.079316 1.096076 0.008360
C 4.921947 -1.048980 0.104991
C 3.618548 -1.221888 -0.430201
C 4.332741 1.330397 0.523615
C 5.352322 0.278976 0.627585
C 5.795050 -2.168711 0.117419
C 3.176474 -2.458568 -0.947675
C 5.372774 -3.409169 -0.388707
C 4.061750 -3.551824 -0.923067
H -6.172285 1.972007 -0.085240
H -6.489496 1.153599 1.467968
H -7.185640 -0.191919 -0.580813
H -5.478486 -0.225880 -1.105183
H -4.909177 -2.525251 -0.876333
H -4.247232 2.214254 1.540934
H -4.079572 0.410723 1.552249
H -6.436972 -1.459632 1.431782
H -4.170946 -3.382773 1.352022
H -4.954815 -4.699288 0.413881
H -5.842612 -3.895017 1.738757
H -6.798162 -4.114165 -1.320471
H -7.751806 -3.386997 0.007573
H -7.377558 -2.430160 -1.461063
H 0.657013 -0.120675 0.667383
H 0.178368 3.837837 -1.036995
H -2.143127 -0.831730 1.881061
H -2.913820 -1.083854 0.299600
H -1.242777 -1.664873 0.592647
H -2.010322 4.699630 -1.570023
H -3.135894 3.433004 -2.155348
H -3.350362 4.111666 -0.535880
H 4.574776 2.342387 0.856504
H 6.797866 -2.020712 0.531770
H 2.165980 -2.540054 -1.358491
H 6.051150 -4.268288 -0.376377
H 3.735963 -4.518743 -1.320939


