%chk=000189224.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189224

0 1
O 4.958480 -2.513908 -1.986004
O 4.245004 -0.431925 -2.392497
N 0.049578 0.866409 0.579098
N 0.818311 1.104347 -0.601882
N 1.990116 -0.947272 -0.458000
C -1.301739 0.405989 0.262237
C -2.214002 1.291000 -0.359633
C -1.735938 -0.872500 0.688036
C -1.842842 2.678045 -0.820404
C -0.815498 -1.849082 1.372421
C -3.542021 0.877872 -0.548027
C -3.071774 -1.249846 0.491678
C -3.969846 -0.381631 -0.128083
C -1.655250 3.629401 0.360709
C -0.854028 -1.674280 2.890218
C 1.846067 0.221099 -1.022660
C 2.903087 -1.959917 -0.976755
C 4.049931 -1.493194 -1.846627
H -0.927001 2.645286 -1.442825
H -2.626153 3.080429 -1.496737
H 0.229049 -1.744320 1.000073
H -1.097966 -2.888497 1.106029
H -4.251989 1.553127 -1.023040
H -3.409067 -2.229306 0.825572
H -5.003893 -0.684613 -0.281608
H 0.523922 0.171176 1.197481
H -2.575647 3.717980 0.949769
H -1.373341 4.631752 0.025147
H -0.873748 3.266609 1.042691
H -0.579419 -0.655439 3.188858
H -0.163538 -2.364873 3.386145
H -1.858820 -1.863291 3.287691
H 1.082766 2.102131 -0.622861
H 2.420567 0.630374 -1.884012
H 2.314470 -2.730826 -1.541810
H 3.318098 -2.504674 -0.085203
H 5.735475 -2.266331 -2.557885


%chk=000189224-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189224

0 1
O 4.782666 -2.504754 -2.380229
O 4.348224 -0.226501 -2.293874
N 0.006463 0.707370 0.692432
N 0.899828 1.185541 -0.306089
N 1.918175 -0.912468 -0.528927
C -1.323902 0.312226 0.300961
C -2.169182 1.196615 -0.440383
C -1.812511 -0.954784 0.755070
C -1.742646 2.597502 -0.870648
C -0.942719 -1.903866 1.572358
C -3.484211 0.768360 -0.746298
C -3.141908 -1.325138 0.442450
C -3.980256 -0.479311 -0.312449
C -1.514378 3.564188 0.323524
C -0.860831 -1.524017 3.078202
C 1.868224 0.353195 -0.854628
C 2.852702 -1.866643 -1.113229
C 4.031585 -1.392394 -1.967861
H -0.830638 2.552583 -1.494395
H -2.534008 3.020114 -1.518041
H 0.076008 -1.958472 1.136086
H -1.364191 -2.923416 1.494935
H -4.131601 1.440798 -1.322828
H -3.510668 -2.300268 0.784256
H -5.002303 -0.785816 -0.559881
H 0.489292 -0.012302 1.245469
H -2.448652 3.692759 0.898901
H -1.191512 4.560683 -0.031763
H -0.753602 3.171275 1.022126
H -0.450478 -0.507859 3.227859
H -0.218235 -2.235694 3.628868
H -1.865378 -1.539911 3.538100
H 1.054506 2.194887 -0.314574
H 2.559003 0.874459 -1.536056
H 2.290660 -2.593077 -1.736497
H 3.288073 -2.479002 -0.298259
H 5.549799 -2.199560 -2.937391


