%chk=000187338.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187338

0 1
O 4.735314 -1.162556 -0.144819
C -0.136208 -0.000839 0.000612
C -1.605278 0.011280 0.000952
C 0.579800 1.205174 0.152024
C 0.558061 -1.218036 -0.151484
C -2.299566 1.225346 -0.174202
C -2.319012 -1.191811 0.175253
C -0.178035 2.489573 0.350379
C -0.217142 -2.491790 -0.345333
C -1.521611 2.493502 -0.394525
C -1.562954 -2.473078 0.394872
C 1.978518 1.189851 0.150119
C 1.956247 -1.219678 -0.152369
C -3.699973 1.229924 -0.175238
C -3.719485 -1.172955 0.175789
C 2.668162 -0.020210 -0.002181
C -4.401719 0.034031 0.000237
C 4.164088 -0.098979 -0.012562
C 4.942610 1.177022 0.145458
H -0.355402 2.626551 1.440323
H 0.423831 3.362046 0.028997
H -0.390208 -2.634708 -1.435197
H 0.373566 -3.370146 -0.016400
H -1.344870 2.609274 -1.487027
H -2.110947 3.380420 -0.088844
H -1.391301 -2.594621 1.487685
H -2.166119 -3.349625 0.085892
H 2.524030 2.124263 0.268187
H 2.513717 -2.153849 -0.270104
H -4.244144 2.161266 -0.311854
H -4.278756 -2.095565 0.311715
H -5.491188 0.042815 0.000003
H 4.728266 1.670482 1.101796
H 4.725584 1.890335 -0.659581
H 6.025123 0.976390 0.118824


%chk=000187338-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187338

0 1
O 4.801427 -1.200249 -0.143243
C -0.140847 -0.002256 0.000166
C -1.619681 0.010230 0.000859
C 0.582343 1.215623 0.171575
C 0.563142 -1.233803 -0.171704
C -2.319522 1.237529 -0.195537
C -2.339199 -1.205853 0.196250
C -0.205880 2.499845 0.392391
C -0.246184 -2.505206 -0.389295
C -1.510173 2.504565 -0.438440
C -1.551511 -2.486124 0.439753
C 1.990541 1.193156 0.164028
C 1.968134 -1.232819 -0.165089
C -3.731284 1.237721 -0.190588
C -3.750952 -1.182432 0.189732
C 2.701831 -0.026003 -0.000635
C -4.447692 0.033267 -0.000756
C 4.200029 -0.091082 -0.008895
C 4.998831 1.201271 0.146837
H -0.467506 2.583677 1.468316
H 0.414391 3.380521 0.143765
H -0.506180 -2.587525 -1.465614
H 0.361192 -3.393205 -0.137649
H -1.249667 2.568593 -1.516017
H -2.115464 3.398567 -0.201673
H -1.293318 -2.554335 1.517587
H -2.171820 -3.369823 0.203257
H 2.535319 2.135252 0.293876
H 2.534934 -2.162184 -0.291716
H -4.272101 2.180026 -0.339129
H -4.307014 -2.115927 0.337367
H -5.543378 0.042017 -0.001368
H 4.770056 1.696391 1.109042
H 4.757589 1.917944 -0.660231
H 6.072614 0.963731 0.110174


