%chk=000218198.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218198

0 1
O 5.472257 0.592460 0.061698
O 4.707818 -1.288752 -0.680023
N 2.031916 -0.518531 -0.135279
N 2.870032 1.477405 0.611218
N 4.569528 -0.169488 -0.194242
C 0.953776 0.262526 0.266208
C 3.194966 0.251760 0.087243
C -0.430922 -0.167935 0.214163
C 1.507542 1.494072 0.722623
C 1.951205 -1.875592 -0.680803
C -1.449775 0.696725 0.080570
C -2.861639 0.284751 0.043486
C -3.354798 -0.698842 0.916429
C -3.732183 0.898173 -0.874871
C -4.701924 -1.067388 0.865707
C -5.075145 0.519566 -0.924761
C -5.562540 -0.462548 -0.055209
H -0.602974 -1.245314 0.295271
H 0.972097 2.343076 1.118495
H 2.925900 -2.189401 -1.123458
H 1.702825 -2.605402 0.112420
H 1.186588 -1.937853 -1.476497
H -1.277291 1.773410 -0.023156
H -2.691499 -1.166011 1.642518
H -3.358627 1.664425 -1.552644
H -5.081604 -1.827586 1.547341
H -5.745806 0.992311 -1.641445
H -6.611223 -0.752916 -0.094401


%chk=000218198-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218198

0 1
O 5.540645 0.730588 -0.152998
O 4.844041 -1.438367 0.054665
N 2.106726 -0.535871 -0.009936
N 2.905027 1.596520 -0.253335
N 4.612150 -0.155458 -0.066770
C 0.989774 0.315377 -0.100885
C 3.238025 0.290656 -0.107477
C -0.375582 -0.162628 -0.045357
C 1.531721 1.623642 -0.250688
C 2.007802 -2.000154 0.165958
C -1.477349 0.658847 -0.095137
C -2.885092 0.247617 -0.054291
C -3.305989 -1.114379 0.018796
C -3.889762 1.259190 -0.091627
C -4.673748 -1.443952 0.054285
C -5.259684 0.928788 -0.055805
C -5.658938 -0.425665 0.017539
H -0.518722 -1.246404 0.040401
H 0.992284 2.561638 -0.359308
H 3.022227 -2.411270 0.230897
H 1.453799 -2.228772 1.092537
H 1.484281 -2.447689 -0.696495
H -1.311025 1.742875 -0.171706
H -2.564164 -1.920314 0.044789
H -3.585173 2.311678 -0.148678
H -4.978936 -2.494746 0.109502
H -6.013648 1.722689 -0.085274
H -6.722190 -0.687338 0.044996


