%chk=000198053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198053

0 1
O 2.734185 0.841473 0.880569
N 0.921173 -0.125565 -0.132378
N 4.396285 -1.385459 0.821619
C 0.270345 -1.332923 -0.740871
C -1.137649 -1.502246 -0.201777
C 0.124331 1.077197 -0.109072
C -1.895824 -0.368358 0.152888
C -1.286597 0.961627 0.000535
C 0.246407 -1.197284 -2.268205
C 2.235975 -0.154778 0.386563
C -1.681417 -2.785013 -0.070358
C -3.194698 -0.546084 0.658425
C 0.722782 2.344862 -0.214677
C -2.063416 2.129685 -0.037188
C 3.009264 -1.474373 0.307063
C -2.979462 -2.948047 0.419893
C -3.732409 -1.827814 0.787214
C -0.073720 3.489123 -0.232645
C -1.466395 3.385106 -0.153495
C 5.290828 -0.602854 -0.077904
H 0.867905 -2.241903 -0.462390
H -0.213908 -2.075970 -2.734762
H -0.338391 -0.321774 -2.585119
H 1.252676 -1.078315 -2.683702
H -1.097058 -3.660200 -0.349726
H -3.784732 0.319454 0.958515
H 1.811399 2.438251 -0.263111
H -3.149688 2.055401 0.025640
H 3.032139 -1.849882 -0.741392
H 2.486651 -2.253013 0.914757
H -3.402231 -3.945996 0.519659
H -4.741072 -1.955463 1.178028
H 0.395840 4.469560 -0.311618
H -2.082610 4.281214 -0.178396
H 4.381871 -0.931440 1.747290
H 4.986276 0.447914 -0.218139
H 5.352962 -1.086006 -1.064713
H 6.305287 -0.611605 0.354782


%chk=000198053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198053

0 1
O 2.738668 0.829745 1.067969
N 0.924831 -0.091333 -0.100600
N 4.386162 -1.392316 0.812438
C 0.293041 -1.280450 -0.755698
C -1.103700 -1.503357 -0.186105
C 0.127130 1.110556 -0.101794
C -1.895731 -0.366609 0.137726
C -1.296912 0.978561 -0.025368
C 0.266729 -1.111207 -2.297906
C 2.205625 -0.154828 0.472705
C -1.621052 -2.806331 -0.024076
C -3.212155 -0.574854 0.630502
C 0.717882 2.394930 -0.197214
C -2.089134 2.155627 -0.081860
C 2.988291 -1.507299 0.391294
C -2.938383 -3.000936 0.446953
C -3.732650 -1.876858 0.775533
C -0.093097 3.547045 -0.232124
C -1.501969 3.430917 -0.181200
C 5.266724 -0.702253 -0.157188
H 0.903182 -2.163296 -0.513995
H -0.178468 -2.005117 -2.769196
H -0.337058 -0.233768 -2.586867
H 1.290189 -0.975069 -2.692005
H -0.994821 -3.672937 -0.270583
H -3.826074 0.281944 0.927001
H 1.803811 2.486134 -0.227664
H -3.180568 2.068219 -0.061639
H 2.972418 -1.907382 -0.640385
H 2.473233 -2.247750 1.036906
H -3.337234 -4.013826 0.567681
H -4.749748 -2.017475 1.157423
H 0.377122 4.533289 -0.309479
H -2.133299 4.324679 -0.224349
H 4.443759 -0.945615 1.737994
H 4.954437 0.340183 -0.391349
H 5.298847 -1.280705 -1.099688
H 6.293277 -0.671755 0.248011


