%chk=000179249.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179249

0 1
O 1.303886 -0.539993 -0.070918
O 1.014889 1.634617 0.382388
O 2.196393 0.966282 -1.339741
N 1.511432 0.826814 -0.363579
C -0.957774 -1.350674 0.429587
C -1.693363 -0.262850 -0.373470
C -2.119452 0.934256 0.486140
C 0.375823 -0.854978 1.013143
C -0.720374 -2.588707 -0.440275
C -2.981367 1.913862 -0.306817
H -1.600826 -1.643527 1.300696
H -1.061462 0.079196 -1.215014
H -2.588772 -0.711264 -0.849526
H -1.221646 1.463591 0.870900
H -2.675857 0.585466 1.377305
H 0.928931 -1.657989 1.537813
H 0.249414 0.011906 1.687411
H -0.016303 -2.369828 -1.255325
H -1.649370 -2.948318 -0.895726
H -0.297449 -3.417076 0.137931
H -2.447622 2.304809 -1.181191
H -3.904197 1.445924 -0.667093
H -3.268133 2.774383 0.308861


%chk=000179249-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179249

0 1
O 1.350928 -0.580418 -0.162446
O 1.247442 1.716267 0.520628
O 2.464946 1.077143 -1.312632
N 1.711018 0.886981 -0.323870
C -0.950194 -1.365790 0.417003
C -1.728293 -0.269322 -0.358467
C -2.191305 0.937844 0.490950
C 0.406668 -0.873509 0.962705
C -0.771989 -2.643999 -0.436769
C -3.046527 1.932048 -0.325199
H -1.542204 -1.627950 1.322315
H -1.110606 0.084734 -1.209362
H -2.622310 -0.744904 -0.810797
H -1.314781 1.474114 0.903029
H -2.777781 0.569832 1.357919
H 0.922659 -1.664417 1.537249
H 0.309175 0.031128 1.586301
H -0.179181 -2.428103 -1.343501
H -1.753433 -3.040203 -0.753793
H -0.249682 -3.439628 0.127230
H -2.475835 2.329556 -1.185369
H -3.956343 1.443462 -0.722441
H -3.365570 2.791038 0.292815


