%chk=000214456.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214456

0 1
O -1.614449 -2.407872 0.811394
N -3.961282 1.051438 -0.242715
N -0.578657 -0.379921 0.605533
N 0.498257 0.397639 0.391332
C -2.622473 0.460614 -0.554672
C -1.871437 0.353257 0.790241
C -4.969084 -0.025878 0.041291
C -4.431306 1.978531 -1.323846
C 0.766391 -2.418654 0.397678
C -0.564924 -1.820573 0.615998
C 1.681280 -0.180056 0.195106
C -6.129668 0.551030 0.852808
C -3.619577 3.274249 -1.294103
C 1.845867 -1.620046 0.195112
C 0.836658 -3.917624 0.402769
C 2.849727 0.702785 -0.025823
C 0.977871 -4.475702 -1.012347
C 3.701411 0.468283 -1.117664
C 3.109871 1.766176 0.852206
C 4.812127 1.290549 -1.319959
C 4.224012 2.583467 0.642080
C 5.076513 2.346246 -0.440517
H -2.050830 1.119517 -1.244295
H -2.680256 -0.534086 -1.046929
H -2.478118 -0.209957 1.538906
H -1.680404 1.367209 1.208010
H -5.349869 -0.512831 -0.882041
H -4.471026 -0.826935 0.635544
H -4.386653 1.519462 -2.334822
H -5.502204 2.215616 -1.128993
H -5.758471 1.106581 1.724970
H -6.736250 1.249057 0.265427
H -6.787346 -0.245267 1.215934
H -3.614767 3.708442 -0.284871
H -2.571984 3.111210 -1.573065
H -4.038860 4.017320 -1.979318
H 2.844374 -2.030322 0.037064
H 1.683406 -4.255516 1.035329
H -0.080718 -4.337793 0.877944
H 1.020786 -5.571182 -0.999593
H 1.885565 -4.112710 -1.506546
H 0.123259 -4.190462 -1.639346
H 3.491648 -0.344562 -1.810523
H 2.438887 1.955622 1.690261
H 5.472322 1.110517 -2.166975
H 4.425807 3.408483 1.323853
H 5.943770 2.984147 -0.601126


%chk=000214456-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214456

0 1
O -1.592161 -2.505770 0.697045
N -3.894855 1.024036 -0.272547
N -0.497670 -0.429836 0.586113
N 0.584390 0.388921 0.384315
C -2.532652 0.511647 -0.538712
C -1.784361 0.272648 0.797971
C -4.876950 -0.072677 -0.042095
C -4.357229 2.042632 -1.251196
C 0.817873 -2.461145 0.315784
C -0.504201 -1.859326 0.536645
C 1.782357 -0.195705 0.158788
C -6.055106 0.354103 0.853845
C -3.670218 3.408842 -1.062827
C 1.913862 -1.632711 0.136403
C 0.894977 -3.970074 0.282895
C 2.935012 0.725090 -0.043654
C 0.305449 -4.560617 -1.028264
C 4.167246 0.264005 -0.582506
C 2.818058 2.101650 0.297817
C 5.251164 1.149541 -0.766557
C 3.899809 2.984360 0.111578
C 5.124994 2.513485 -0.419345
H -1.964045 1.249732 -1.131809
H -2.548535 -0.439987 -1.119644
H -2.400299 -0.358322 1.458033
H -1.568901 1.233496 1.288030
H -5.264269 -0.475131 -1.012068
H -4.340659 -0.908577 0.444173
H -4.219542 1.691389 -2.305513
H -5.444914 2.174389 -1.105744
H -5.680889 0.704604 1.831546
H -6.643444 1.172949 0.401340
H -6.740311 -0.497979 1.020524
H -3.862212 3.792537 -0.045719
H -2.575503 3.341828 -1.200262
H -4.055155 4.140322 -1.797949
H 2.902384 -2.081226 -0.004742
H 1.946301 -4.292518 0.401138
H 0.313974 -4.374641 1.133099
H 0.370449 -5.663394 -1.013177
H 0.854922 -4.194112 -1.914182
H -0.756205 -4.278931 -1.127394
H 4.286900 -0.782904 -0.881144
H 1.869329 2.458351 0.709199
H 6.191380 0.774795 -1.186153
H 3.791495 4.040012 0.384504
H 5.967162 3.199717 -0.560883


