%chk=000217031.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217031

0 1
O 2.917326 1.865191 -0.842250
N -2.619783 -0.420817 1.417108
N -5.084460 -0.008355 -0.096073
N -0.698391 -0.916373 0.090781
N 3.672553 -0.114364 -0.033481
C -3.588614 0.660362 1.765359
C -3.326800 -1.550984 0.741955
C -4.364171 1.152622 0.525605
C -4.109126 -1.076501 -0.498871
C -1.350966 -0.036044 0.934970
C -5.872926 0.446638 -1.279560
C -0.710481 1.147589 1.399564
C 1.275305 0.489916 0.187389
C 0.597773 1.402419 1.015329
C 0.578886 -0.647106 -0.256452
C 2.654170 0.813760 -0.271042
C 5.051656 0.202586 -0.500914
C 3.495278 -1.376359 0.725194
C 5.900774 0.816480 0.611206
C 3.305483 -2.575121 -0.205662
H -3.069434 1.507686 2.261438
H -4.297791 0.232487 2.513308
H -4.021098 -1.992759 1.492861
H -2.600085 -2.345150 0.457852
H -5.125690 1.898592 0.840259
H -3.673874 1.668231 -0.176171
H -3.398297 -0.749627 -1.288915
H -4.687963 -1.928496 -0.915758
H -5.279257 0.885579 -2.095015
H -6.616829 1.190596 -0.951598
H -6.435884 -0.410514 -1.684023
H -1.239251 1.837627 2.052216
H 1.106767 2.311111 1.347458
H 1.059624 -1.382261 -0.924322
H 5.522096 -0.726009 -0.888931
H 4.976508 0.920022 -1.356207
H 4.388237 -1.535795 1.372585
H 2.625892 -1.282406 1.415494
H 6.007707 0.147950 1.471299
H 5.454085 1.751758 0.976227
H 6.905905 1.057082 0.247096
H 4.161150 -2.711944 -0.876951
H 2.414428 -2.457067 -0.841208
H 3.180968 -3.501233 0.366850


%chk=000217031-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217031

0 1
O 3.293866 1.999995 -0.254167
N -2.652720 -0.083143 0.859074
N -5.411268 -0.073136 0.032102
N -0.572998 -0.794012 0.022174
N 3.859851 -0.238671 0.018703
C -3.615965 0.840569 1.481367
C -3.284473 -1.321277 0.355658
C -4.755979 1.172559 0.492645
C -4.430238 -0.978966 -0.616872
C -1.299229 0.174747 0.681915
C -6.586649 0.190098 -0.819881
C -0.659504 1.377072 1.142257
C 1.481684 0.520460 0.297589
C 0.713517 1.538498 0.932833
C 0.760445 -0.612964 -0.152857
C 2.926306 0.802262 0.011309
C 5.252101 0.114493 -0.362901
C 3.671977 -1.552153 0.677694
C 6.070029 0.702727 0.808131
C 3.743598 -2.757162 -0.285900
H -3.124382 1.769866 1.803872
H -4.057264 0.355006 2.375648
H -3.699109 -1.888612 1.213593
H -2.506534 -1.921089 -0.139499
H -5.509377 1.801933 1.002982
H -4.334338 1.763320 -0.362018
H -3.996977 -0.522663 -1.543715
H -4.950606 -1.910596 -0.907873
H -6.333909 0.717430 -1.774449
H -7.315205 0.811226 -0.268319
H -7.078360 -0.765025 -1.077579
H -1.220777 2.169620 1.642152
H 1.220730 2.458978 1.239212
H 1.260647 -1.409022 -0.715682
H 5.737561 -0.796808 -0.758269
H 5.195207 0.858581 -1.174581
H 4.457800 -1.664440 1.453554
H 2.705810 -1.545391 1.207128
H 6.122097 0.004398 1.664077
H 5.612275 1.647153 1.145874
H 7.104873 0.914683 0.481498
H 4.721092 -2.810889 -0.797884
H 2.959880 -2.699702 -1.061268
H 3.605913 -3.698953 0.276671


