%chk=000234819.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234819

0 1
O -2.424985 -1.178669 -1.301137
N -2.115924 0.506183 0.249753
C 3.556880 1.430265 -0.064360
C 2.067264 1.154812 0.010600
C 4.340775 0.135172 0.049095
C 3.876684 2.230222 -1.333556
C 1.265990 1.894708 0.892525
C 1.467583 0.181139 -0.802519
C 4.577298 -0.394078 1.329746
C 4.824179 -0.550282 -1.073619
C -0.699370 0.692604 0.140496
C -0.108857 1.672529 0.964840
C 0.095290 -0.055438 -0.745320
C 5.290988 -1.584432 1.480894
C 5.540344 -1.741653 -0.918312
C 5.776874 -2.261298 0.356857
C -2.893658 -0.414491 -0.482745
C -4.352181 -0.352428 -0.131552
C -4.956037 -1.474781 0.448968
C -5.105027 0.792605 -0.420494
C -6.319709 -1.442807 0.755179
C -6.468885 0.815730 -0.115939
C -7.074595 -0.299213 0.474055
H 3.850080 2.074299 0.809994
H 3.540264 1.714269 -2.240529
H 4.953579 2.409056 -1.429103
H 3.374606 3.204777 -1.316021
H 1.715074 2.654632 1.531147
H 2.082368 -0.406740 -1.486277
H 4.195987 0.120818 2.209595
H 4.646029 -0.161167 -2.074326
H -0.710762 2.256261 1.656069
H -0.357205 -0.820849 -1.385425
H 5.468236 -1.987661 2.476415
H 5.912846 -2.265882 -1.796755
H -2.587479 1.093508 0.941954
H 6.333323 -3.187966 0.475745
H -4.365622 -2.369839 0.651386
H -4.634623 1.655708 -0.891454
H -6.794455 -2.312610 1.207745
H -7.060874 1.701490 -0.342290
H -8.138095 -0.278102 0.710875


%chk=000234819-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234819

0 1
O -2.515470 -1.555618 -0.849378
N -2.146179 0.484819 0.255341
C 3.575809 1.407480 -0.243074
C 2.076864 1.112602 -0.081235
C 4.442508 0.155772 -0.019997
C 3.826213 2.116066 -1.600195
C 1.241549 1.999543 0.642402
C 1.471836 -0.012891 -0.695437
C 4.379466 -0.505094 1.236917
C 5.312944 -0.368769 -1.007133
C -0.737880 0.645722 0.117221
C -0.145211 1.774487 0.743723
C 0.086865 -0.257956 -0.606393
C 5.161231 -1.648462 1.501397
C 6.097739 -1.518188 -0.748089
C 6.027187 -2.162322 0.506125
C -2.961383 -0.537335 -0.233992
C -4.436279 -0.365255 0.038500
C -5.238019 -1.535551 0.025372
C -5.054708 0.893990 0.262693
C -6.625714 -1.454643 0.260397
C -6.445748 0.974820 0.493001
C -7.233710 -0.199319 0.500228
H 3.846989 2.133063 0.552668
H 3.548189 1.466088 -2.449911
H 4.886554 2.407753 -1.713302
H 3.209019 3.029074 -1.666911
H 1.679902 2.877192 1.133899
H 2.098958 -0.725190 -1.244369
H 3.700843 -0.120009 2.008391
H 5.388437 0.115425 -1.986235
H -0.770238 2.475857 1.312719
H -0.364782 -1.133849 -1.074862
H 5.095684 -2.140526 2.478595
H 6.763584 -1.907421 -1.527097
H -2.608919 1.198031 0.822984
H 6.635276 -3.051536 0.707028
H -4.748243 -2.492798 -0.180403
H -4.475326 1.824696 0.213299
H -7.233663 -2.365829 0.254191
H -6.915379 1.951444 0.653560
H -8.312595 -0.134962 0.679563


