%chk=000221687.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221687

0 1
O -1.398721 -1.107734 0.585848
O -1.500697 1.117957 -0.142286
C -2.778764 -1.405349 0.235013
C -3.581679 -0.089046 0.212450
C -2.867210 0.985300 -0.617929
C -0.735861 -0.096307 -0.184647
C 0.557079 0.207836 0.567813
C -3.212374 -2.315532 1.385465
C -2.814927 -2.137062 -1.110079
C 1.794632 0.023533 -0.313198
C -3.452695 2.377285 -0.430231
C 3.080023 0.335877 0.465317
C 4.324649 0.153349 -0.413202
C 5.611243 0.465157 0.364270
C 6.854165 0.285413 -0.504619
H -3.693042 0.277810 1.253643
H -4.603533 -0.260774 -0.163758
H -2.822766 0.701584 -1.693356
H -0.634894 -0.434312 -1.232365
H 0.608646 -0.445656 1.466016
H 0.503041 1.245996 0.962806
H -2.645969 -3.255136 1.377380
H -3.005317 -1.840477 2.354072
H -4.277485 -2.554651 1.337646
H -2.633448 -1.469798 -1.957550
H -2.044499 -2.918363 -1.140277
H -3.782120 -2.621949 -1.275914
H 1.832994 -1.014418 -0.698475
H 1.726133 0.680952 -1.202331
H -2.910246 3.113115 -1.038218
H -4.510909 2.414541 -0.703720
H -3.354464 2.708350 0.613097
H 3.148077 -0.317899 1.356466
H 3.041508 1.371989 0.854229
H 4.257848 0.807018 -1.304044
H 4.364178 -0.882054 -0.802642
H 5.573914 1.501654 0.753094
H 5.680360 -0.189320 1.255203
H 7.766705 0.510194 0.058626
H 6.835668 0.947983 -1.377346
H 6.942157 -0.742057 -0.875468


%chk=000221687-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221687

0 1
O -1.627859 -1.337832 0.924653
O -1.103392 0.745905 -0.189814
C -3.048848 -1.357902 0.435918
C -3.468930 0.096618 0.077633
C -2.441825 0.810268 -0.829625
C -0.700211 -0.645636 0.031538
C 0.669629 -0.644753 0.701050
C -3.840372 -1.877716 1.645623
C -3.187304 -2.329192 -0.761478
C 1.782016 -0.070891 -0.203421
C -2.750710 2.292161 -1.043597
C 3.155831 -0.023384 0.501509
C 4.283476 0.523332 -0.402713
C 5.657244 0.590340 0.302975
C 6.779875 1.126308 -0.612053
H -3.558546 0.677414 1.015225
H -4.460740 0.085881 -0.415849
H -2.379794 0.291255 -1.814172
H -0.680732 -1.162088 -0.959106
H 0.904694 -1.686049 0.992194
H 0.586888 -0.053284 1.632195
H -3.529109 -2.907413 1.894670
H -3.649886 -1.238650 2.524782
H -4.924979 -1.877588 1.432444
H -2.683227 -1.962430 -1.672693
H -2.750700 -3.307725 -0.495963
H -4.254799 -2.479211 -1.007169
H 1.865899 -0.686064 -1.124511
H 1.491336 0.946560 -0.527833
H -1.979684 2.758446 -1.680808
H -3.735140 2.418968 -1.529910
H -2.764051 2.822045 -0.074853
H 3.428261 -1.041454 0.851649
H 3.077483 0.607421 1.411566
H 4.006922 1.536928 -0.761362
H 4.369127 -0.113519 -1.308279
H 5.573129 1.233387 1.202836
H 5.928153 -0.421311 0.668832
H 7.751297 1.163014 -0.085143
H 6.547962 2.148889 -0.965552
H 6.903014 0.483953 -1.504591


