%chk=000216671.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216671

0 1
O 2.293761 -0.351337 0.140270
O -1.252810 -3.255696 -1.265725
N -0.045764 -0.216667 0.008273
N -1.100289 -1.014729 -0.567529
C 1.154983 -0.987112 -0.192228
C -0.052476 1.205867 -0.304911
C -0.542816 -2.369863 -0.868219
C 4.598750 -0.168928 0.488498
C 3.529959 -1.166052 0.061731
C 0.885780 -2.254696 -0.633111
C -2.414061 -0.860669 0.018130
C 5.991639 -0.809679 0.439316
C -0.941987 1.770168 -1.231774
C 0.838865 2.014391 0.424605
C -3.469048 -1.544558 -0.619251
C -2.666323 -0.036265 1.127479
C 7.071834 0.178987 0.868179
C -0.943419 3.155397 -1.415159
C 0.824219 3.394852 0.222905
C -4.769808 -1.386233 -0.142825
C -3.978599 0.112972 1.583030
C -0.065519 3.968564 -0.692376
C -5.031505 -0.555862 0.953055
H 4.380073 0.207338 1.508969
H 4.559996 0.727600 -0.165041
H 3.640539 -1.513843 -0.979123
H 3.418474 -2.018584 0.752172
H 1.551723 -3.078389 -0.792187
H 6.206255 -1.174443 -0.585349
H 6.022577 -1.703001 1.095008
H -1.628070 1.140984 -1.802442
H 1.535558 1.564766 1.134212
H -3.265239 -2.205540 -1.466262
H -1.855334 0.481899 1.636869
H 7.097554 1.061458 0.217765
H 6.915928 0.533166 1.894113
H 8.066419 -0.281849 0.830657
H -1.635244 3.600594 -2.130361
H 1.509815 4.028291 0.784858
H -5.587391 -1.916438 -0.630871
H -4.177608 0.754888 2.440454
H -0.073244 5.046589 -0.841506
H -6.049750 -0.435540 1.314600


%chk=000216671-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216671

0 1
O 2.322162 -0.297846 0.300036
O -1.189470 -3.398369 -1.051900
N -0.027485 -0.215401 0.057867
N -1.072650 -1.085860 -0.398182
C 1.163441 -0.962963 -0.008670
C -0.109123 1.203950 -0.201160
C -0.502791 -2.400712 -0.692304
C 4.741478 -0.159283 0.479607
C 3.578050 -1.076593 0.108764
C 0.922261 -2.257675 -0.433765
C -2.425533 -0.856761 0.016796
C 6.105228 -0.872314 0.313190
C -0.915954 1.698768 -1.254839
C 0.614588 2.093995 0.629511
C -3.467649 -1.502085 -0.699059
C -2.729764 -0.018610 1.119891
C 7.291143 0.039657 0.692945
C -0.991099 3.090416 -1.475192
C 0.543228 3.482105 0.385734
C -4.806341 -1.305626 -0.299401
C -4.075472 0.180977 1.493403
C -0.261262 3.987916 -0.662054
C -5.120922 -0.460314 0.790025
H 4.619990 0.176784 1.527158
H 4.708280 0.744720 -0.157793
H 3.630488 -1.402023 -0.949125
H 3.538997 -1.971033 0.762077
H 1.632232 -3.071137 -0.543464
H 6.220750 -1.211146 -0.736270
H 6.125493 -1.785432 0.942245
H -1.475207 1.002615 -1.885953
H 1.226506 1.699263 1.444442
H -3.218981 -2.162603 -1.532069
H -1.925172 0.463661 1.681804
H 7.315710 0.944577 0.057681
H 7.216824 0.369611 1.745885
H 8.255357 -0.485641 0.570537
H -1.619241 3.471718 -2.287603
H 1.107861 4.169354 1.025279
H -5.606580 -1.813312 -0.849189
H -4.304338 0.833729 2.343228
H -0.323014 5.067051 -0.838631
H -6.163626 -0.305331 1.087415


