%chk=000249637.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249637

0 1
O 1.783847 -0.287017 -0.050505
N -4.071077 0.088947 -0.336449
N -5.069837 0.958893 -0.715286
N -7.337628 1.572938 -0.587888
N -6.445635 0.297591 1.233114
C 2.969264 -1.078927 0.269685
C 4.116710 -0.106518 0.243848
C 0.574304 -0.942503 -0.120118
C -0.490847 -0.070276 -0.418398
C -1.780111 -0.600150 -0.519749
C 4.042744 1.073544 -0.507931
C 5.280630 -0.406864 0.967871
C 0.379307 -2.315941 0.070872
C -1.996452 -1.978584 -0.330593
C -0.922756 -2.818560 -0.039081
C 5.130158 1.951252 -0.534616
C 6.365969 0.472110 0.931368
C 6.292852 1.651234 0.181679
C -2.894408 0.319165 -0.851076
C -6.212613 0.899275 -0.028894
H 3.087816 -1.862262 -0.503093
H 2.821232 -1.533970 1.266064
H -0.290417 0.990022 -0.552776
H 3.129093 1.303185 -1.060103
H 5.343111 -1.318515 1.557999
H 1.199545 -2.985834 0.297562
H -3.006113 -2.378617 -0.409567
H -1.095341 -3.885374 0.106425
H 5.069608 2.870148 -1.115770
H 7.270445 0.239077 1.490822
H 7.139542 2.334400 0.157787
H -2.635827 1.155383 -1.520173
H -7.882889 2.125363 0.065613
H -7.124207 2.107008 -1.430638
H -5.739529 -0.376076 1.526609
H -7.385289 -0.024346 1.428087


%chk=000249637-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249637

0 1
O 1.811140 -0.084168 0.117546
N -4.249433 0.195132 -0.187684
N -5.176047 1.232799 -0.450315
N -7.457255 1.652638 -0.693650
N -6.768017 -0.517384 -0.009850
C 2.990551 -0.928787 0.329975
C 4.242165 -0.087271 0.154079
C 0.549272 -0.702073 0.199130
C -0.552746 0.153102 -0.031148
C -1.878825 -0.346047 0.023455
C 4.209841 1.168987 -0.496428
C 5.480071 -0.591564 0.626595
C 0.345858 -2.073119 0.490670
C -2.084873 -1.729133 0.315137
C -0.982283 -2.568195 0.543795
C 5.402317 1.907395 -0.675197
C 6.671542 0.143698 0.442686
C 6.636279 1.398105 -0.210388
C -2.988884 0.581841 -0.223135
C -6.439693 0.769394 -0.378362
H 2.979085 -1.762629 -0.405714
H 2.960905 -1.370713 1.348161
H -0.360103 1.209050 -0.250882
H 3.250395 1.559972 -0.845821
H 5.515230 -1.560282 1.142136
H 1.183999 -2.750809 0.675644
H -3.108134 -2.113190 0.355266
H -1.142381 -3.629012 0.768741
H 5.366620 2.881142 -1.176925
H 7.622017 -0.256849 0.812915
H 7.558984 1.972305 -0.350607
H -2.742111 1.635291 -0.443532
H -8.418572 1.486948 -0.409797
H -7.169445 2.591005 -0.962782
H -5.953489 -1.108990 0.175591
H -7.688779 -0.919386 -0.156605


