%chk=000297726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297726

0 1
O -0.337628 1.486706 -0.776531
N 0.694484 -1.762306 0.065063
N 0.947568 -0.461888 -0.504741
N -2.717734 -0.412100 0.042716
N -4.533697 1.094227 0.204211
C -0.748889 -1.871821 0.156967
C -1.341155 -0.652874 -0.079301
C -0.283288 0.316806 -0.474649
C 2.247855 0.126368 -0.290152
C 1.379686 -2.851071 -0.691608
C -1.377776 -3.146851 0.548781
C 2.566620 1.266196 -1.054892
C 3.182113 -0.416788 0.608174
C 3.831253 1.839260 -0.926475
C 4.445503 0.169794 0.714638
C -3.181568 0.811085 -0.105464
C 4.776116 1.291320 -0.050964
C -5.134449 2.187600 -0.606609
C -5.450112 -0.056988 0.409145
H 0.983876 -3.007491 -1.707927
H 1.279682 -3.784846 -0.113966
H 2.457115 -2.623348 -0.784092
H -2.441754 -2.982519 0.810074
H -0.892079 -3.596861 1.427775
H -1.360679 -3.884078 -0.267452
H 1.821420 1.704331 -1.723388
H 2.923039 -1.271222 1.231399
H 4.082245 2.722432 -1.513655
H 5.174194 -0.249079 1.407708
H -2.581613 1.707157 -0.372469
H 5.761441 1.742416 0.038303
H -4.450612 3.052123 -0.650630
H -6.059369 2.531847 -0.113009
H -5.382220 1.887474 -1.637111
H -6.407597 0.301831 0.815005
H -5.001873 -0.745485 1.151168
H -5.637618 -0.638159 -0.507243


%chk=000297726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297726

0 1
O -0.386623 1.527726 -0.798109
N 0.688481 -1.765414 0.069639
N 0.940910 -0.432669 -0.401832
N -2.717948 -0.465370 0.005021
N -4.602358 0.947501 -0.169431
C -0.717582 -1.888972 0.176840
C -1.340568 -0.675565 -0.105304
C -0.295233 0.295608 -0.489428
C 2.243231 0.136700 -0.281600
C 1.469505 -2.835836 -0.599524
C -1.369451 -3.184450 0.547521
C 2.598657 1.227983 -1.116603
C 3.170459 -0.362195 0.671342
C 3.880279 1.804619 -0.995234
C 4.454998 0.213870 0.766434
C -3.244624 0.712834 -0.277487
C 4.818612 1.298490 -0.064977
C -5.165966 2.263804 -0.478449
C -5.527213 -0.100830 0.274820
H 1.201259 -2.933391 -1.670731
H 1.262142 -3.785119 -0.080987
H 2.545206 -2.618584 -0.516410
H -2.444037 -2.986012 0.689658
H -0.956641 -3.602077 1.484900
H -1.265673 -3.955275 -0.241091
H 1.866974 1.620721 -1.825772
H 2.867733 -1.166228 1.350236
H 4.147610 2.651413 -1.637140
H 5.165718 -0.175598 1.504173
H -2.650713 1.578506 -0.610730
H 5.814572 1.747168 0.015896
H -4.363492 2.950851 -0.794567
H -5.669131 2.700619 0.407794
H -5.910457 2.196846 -1.297274
H -6.037707 0.194487 1.213130
H -4.940188 -1.015414 0.450214
H -6.298242 -0.297546 -0.496137


