%chk=000292202.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292202

0 1
O -2.088203 -1.535012 -1.494512
N -1.051782 -1.190932 0.524567
N 1.710745 2.020903 -0.769442
C 0.107956 -2.117478 0.283922
C 0.931493 -1.617420 -0.938040
C 1.491336 -0.255920 -0.766176
C 0.961054 -2.129386 1.562067
C -0.432867 -3.526059 -0.007438
C 2.808145 0.072315 -0.266288
C 0.852256 0.938540 -1.066581
C 2.918986 1.505004 -0.279734
C -2.057003 -0.966047 -0.413370
C 3.901586 -0.690815 0.183526
C 4.086957 2.168824 0.150978
C 5.046238 -0.036426 0.604916
C -3.096876 0.035003 0.007476
C 5.135767 1.380952 0.588738
C -3.421172 1.071136 -0.878242
C -3.760590 -0.079591 1.235151
C -4.396110 2.007399 -0.522792
C -4.738461 0.856755 1.583522
C -5.052592 1.901721 0.707976
H 0.273168 -1.647799 -1.839809
H 1.744447 -2.341426 -1.146586
H 1.395445 -1.143306 1.775710
H 1.803810 -2.822622 1.457021
H 0.389225 -2.450046 2.438649
H -1.071696 -3.525918 -0.906679
H -1.046887 -3.903633 0.816382
H 0.375458 -4.242064 -0.177009
H -0.998405 -0.607481 1.356216
H -0.133444 1.095835 -1.466617
H 1.496850 2.987007 -0.910308
H 3.835178 -1.776239 0.191809
H 4.152179 3.250762 0.133855
H 5.903522 -0.606526 0.955562
H 6.059188 1.847244 0.930160
H -2.922729 1.132053 -1.846971
H -3.527475 -0.901686 1.911512
H -4.649798 2.814154 -1.208698
H -5.258926 0.769352 2.535913
H -5.814171 2.630573 0.982563


%chk=000292202-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000292202

0 1
O -2.010343 -1.267393 -1.686344
N -1.042528 -1.256723 0.440813
N 1.756989 1.981056 -0.909930
C 0.074171 -2.213158 0.173909
C 0.993444 -1.688399 -0.993319
C 1.554496 -0.300294 -0.815119
C 0.867007 -2.333946 1.495804
C -0.507269 -3.593242 -0.227581
C 2.819432 0.085535 -0.204892
C 0.944969 0.883831 -1.235359
C 2.918096 1.522609 -0.277345
C -1.995735 -0.859895 -0.476422
C 3.890805 -0.640909 0.382758
C 4.032739 2.233776 0.219888
C 5.006719 0.061120 0.877608
C -3.037202 0.116103 0.026980
C 5.076558 1.484400 0.799832
C -3.746992 0.867994 -0.943946
C -3.353374 0.288976 1.400510
C -4.734200 1.795320 -0.551091
C -4.344846 1.214865 1.794081
C -5.032867 1.975766 0.820500
H 0.389520 -1.732336 -1.916383
H 1.816096 -2.421952 -1.102415
H 1.306807 -1.364895 1.794200
H 1.693964 -3.054585 1.373406
H 0.216027 -2.702397 2.311070
H -1.134567 -3.500213 -1.129071
H -1.121375 -4.008902 0.591413
H 0.315203 -4.300658 -0.439999
H -0.992680 -0.745538 1.323824
H -0.001712 1.014646 -1.757138
H 1.542044 2.953429 -1.117680
H 3.853542 -1.734654 0.445744
H 4.092786 3.326405 0.157259
H 5.839244 -0.489812 1.329496
H 5.957828 2.002465 1.194491
H -3.513261 0.693416 -1.999503
H -2.862881 -0.319963 2.169747
H -5.274159 2.372592 -1.309798
H -4.588256 1.334351 2.855620
H -5.802438 2.692908 1.127282


