%chk=000221287.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221287

0 1
O 0.878027 -1.881847 -1.402886
O -4.844813 0.759057 0.970909
O -3.018991 0.962649 2.248162
N 1.785938 -0.002689 -0.468790
C 1.649939 1.431251 -0.060176
C 3.055621 -0.722139 -0.097137
C 0.736891 -0.716847 -1.057689
C -0.597777 -0.010984 -1.269825
C 2.900398 2.231979 -0.442003
C 1.347973 1.532941 1.439485
C 3.765065 -1.218383 -1.360946
C 2.757447 -1.873959 0.868960
C -1.435303 -0.086166 0.008436
C -2.797780 0.588756 -0.175699
C -3.478143 0.783473 1.145381
H 0.781023 1.868642 -0.631543
H 3.718616 0.019941 0.425364
H -1.120458 -0.524125 -2.106379
H -0.456140 1.038731 -1.596795
H 2.748212 3.301721 -0.261112
H 3.782438 1.927312 0.135931
H 3.149660 2.104191 -1.502623
H 0.394877 1.033046 1.684736
H 1.263061 2.576123 1.761449
H 2.124523 1.063489 2.053346
H 4.711843 -1.708824 -1.117780
H 3.141693 -1.954771 -1.896125
H 3.970989 -0.402411 -2.059595
H 2.218578 -1.533529 1.757902
H 3.679262 -2.363871 1.195824
H 2.134338 -2.644153 0.384214
H -1.575597 -1.148111 0.303282
H -0.885724 0.390388 0.858520
H -3.444568 -0.003189 -0.862167
H -2.689927 1.581638 -0.667022
H -5.345590 0.896069 1.818992


%chk=000221287-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221287

0 1
O 0.824576 -1.924065 -1.330930
O -5.135026 0.934654 0.590327
O -3.421772 0.720439 2.141283
N 1.773317 -0.047745 -0.320726
C 1.698929 1.371720 0.142949
C 3.063129 -0.781693 -0.070326
C 0.728863 -0.705261 -0.962844
C -0.597976 0.036226 -1.206933
C 2.704023 2.273248 -0.616007
C 1.865542 1.487708 1.678680
C 3.757890 -1.203055 -1.386963
C 2.870933 -1.971468 0.899770
C -1.511846 0.037178 0.046150
C -2.921760 0.564535 -0.284087
C -3.791717 0.732016 0.947053
H 0.686552 1.732669 -0.098819
H 3.720827 -0.045737 0.429729
H -1.091851 -0.532075 -2.014925
H -0.450617 1.069479 -1.576817
H 2.578632 3.326191 -0.303954
H 3.749981 1.985164 -0.406261
H 2.542171 2.210346 -1.706692
H 1.126250 0.857420 2.203559
H 1.714112 2.536086 1.994401
H 2.875109 1.183482 2.008643
H 4.743431 -1.650240 -1.159209
H 3.147164 -1.945451 -1.923918
H 3.918069 -0.330033 -2.045249
H 2.415356 -1.637365 1.849403
H 3.851738 -2.428239 1.128477
H 2.220979 -2.734453 0.443712
H -1.585405 -0.993770 0.438857
H -1.076603 0.648983 0.857636
H -3.445880 -0.098657 -0.996838
H -2.864702 1.555141 -0.780915
H -5.676819 1.062020 1.416385


