%chk=000186706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186706

0 1
O 0.202736 -2.218318 -0.096041
O 0.621704 2.437884 0.106254
N 2.027539 -0.726395 -0.222131
N 2.156735 0.645840 0.178944
N -0.083794 0.154231 0.013229
C 3.137310 -1.582501 0.296311
C 3.383720 1.293027 -0.376917
C 4.460204 -1.002754 -0.235373
C 4.598975 0.486269 0.114094
C 0.640921 -1.097736 -0.055064
C 0.853548 1.257838 0.054741
C -1.522445 0.283686 0.035963
C -2.322864 -0.838339 -0.224287
C -2.102945 1.532544 0.318918
C -3.719929 -0.711326 -0.199370
C -3.494107 1.640844 0.336229
C -4.305455 0.532888 0.081005
C -4.568569 -1.908971 -0.477354
H 2.960226 -2.613546 -0.087424
H 3.143567 -1.628925 1.407473
H 3.404595 2.338037 0.009457
H 3.362808 1.340951 -1.487826
H 4.510975 -1.137340 -1.335295
H 5.307971 -1.576083 0.185759
H 4.707738 0.606622 1.211470
H 5.521194 0.901334 -0.335362
H -1.875483 -1.812257 -0.440302
H -1.487032 2.412777 0.517762
H -3.950531 2.607282 0.553503
H -5.387144 0.636686 0.099993
H -4.324015 -2.738539 0.202704
H -5.641539 -1.707126 -0.368194
H -4.409813 -2.277082 -1.501972


%chk=000186706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186706

0 1
O 0.210715 -2.256484 0.294216
O 0.615821 2.475067 -0.216934
N 2.007877 -0.749511 -0.027615
N 2.135664 0.674008 0.010083
N -0.053681 0.150573 0.051070
C 3.145488 -1.545302 0.462448
C 3.365225 1.258672 -0.550745
C 4.443888 -1.021194 -0.189330
C 4.587126 0.507869 0.022864
C 0.658694 -1.094537 0.120432
C 0.861513 1.251789 -0.064399
C -1.488092 0.278139 0.091818
C -2.302499 -0.805282 -0.317120
C -2.077227 1.486990 0.543541
C -3.714734 -0.701586 -0.273233
C -3.482194 1.589886 0.575737
C -4.299168 0.508067 0.175898
C -4.574429 -1.875938 -0.710220
H 2.938399 -2.595073 0.199661
H 3.212653 -1.470123 1.568456
H 3.364226 2.326600 -0.279720
H 3.351435 1.181139 -1.658589
H 4.427444 -1.248776 -1.272564
H 5.306100 -1.553437 0.250681
H 4.677809 0.727873 1.104063
H 5.501477 0.881649 -0.471625
H -1.838179 -1.738809 -0.644855
H -1.449806 2.330124 0.837886
H -3.941408 2.523086 0.920146
H -5.390865 0.602017 0.212372
H -4.329441 -2.788047 -0.135019
H -5.648215 -1.663674 -0.569636
H -4.414817 -2.114275 -1.778868


