%chk=000181279.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181279

0 1
O -4.347249 -0.230080 -0.260242
N 0.949134 1.550555 -0.343038
N 5.532984 -1.698279 0.332070
C -0.384175 1.017615 -0.245961
C 2.082904 0.700796 -0.123285
C -1.422571 1.812819 -0.791225
C -0.681012 -0.229910 0.319755
C -3.009497 0.091884 -0.206299
C -2.730798 1.357607 -0.770419
C -1.997556 -0.704742 0.336266
C 3.128006 1.121337 0.721042
C 2.207415 -0.504021 -0.845928
C 4.402277 -0.856827 0.127820
C 4.283747 0.352399 0.840940
C 3.354273 -1.278585 -0.719264
C -4.765911 -1.517888 0.293458
C -6.263805 -1.522911 0.057568
H 1.037041 2.478487 0.080345
H -1.188032 2.778927 -1.237671
H 0.109192 -0.841401 0.756769
H -3.547718 1.947017 -1.182304
H -2.206849 -1.675662 0.772507
H 3.043339 2.049175 1.283167
H 1.404171 -0.818395 -1.513644
H 5.084429 0.682440 1.498534
H 3.439041 -2.212432 -1.270539
H -4.243917 -2.320517 -0.254952
H -4.501369 -1.540229 1.364399
H -6.724368 -2.445807 0.426218
H -6.748129 -0.673468 0.559553
H -6.497743 -1.426354 -1.012129
H 6.370587 -1.223142 0.640458
H 5.738160 -2.331808 -0.428968


%chk=000181279-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181279

0 1
O -4.521995 -0.135759 -0.278313
N 0.941347 1.390559 -0.117852
N 5.852721 -1.483227 0.146604
C -0.394457 0.932608 -0.159243
C 2.138122 0.628758 -0.034701
C -1.409695 1.827902 -0.612133
C -0.790419 -0.362103 0.270424
C -3.142157 0.147757 -0.208301
C -2.760769 1.446471 -0.627438
C -2.147808 -0.754495 0.240484
C 3.279852 1.201937 0.589109
C 2.272180 -0.666524 -0.605466
C 4.637760 -0.788043 0.084299
C 4.509290 0.517732 0.637135
C 3.493341 -1.363996 -0.537420
C -4.961664 -1.467847 0.169305
C -6.478843 -1.512881 0.003916
H 1.061044 2.403977 -0.128148
H -1.130037 2.831167 -0.957933
H -0.043433 -1.059506 0.659920
H -3.537641 2.136487 -0.971395
H -2.409952 -1.760185 0.583268
H 3.200010 2.195850 1.047501
H 1.426087 -1.119289 -1.131299
H 5.373086 0.991370 1.120142
H 3.566223 -2.362279 -0.987228
H -4.467506 -2.249447 -0.445660
H -4.668779 -1.619845 1.229616
H -6.868979 -2.495976 0.325149
H -6.959058 -0.728389 0.613472
H -6.759400 -1.351686 -1.051067
H 6.666540 -1.070263 0.590877
H 5.940991 -2.412232 -0.252623


