%chk=000216930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216930

0 1
O -4.709764 -0.073495 0.796849
O -4.061433 0.877367 -1.118111
C 2.990960 0.364268 0.281591
C 0.552766 -0.315299 -0.019195
C 1.963946 -0.755827 0.416144
C 3.462129 0.687196 -1.164568
C 4.447407 -0.033119 0.655575
C 4.913222 0.323065 -0.775027
C -0.356386 -1.548480 -0.205425
C -0.073295 0.650163 1.007943
C -1.769828 -1.137742 -0.633766
C -1.483918 1.074963 0.584976
C -2.382802 -0.160027 0.386397
C -3.738701 0.290521 -0.113445
H 2.649373 1.266317 0.823830
H 0.631763 0.214962 -1.000348
H 2.284022 -1.628094 -0.187655
H 1.946740 -1.115068 1.463199
H 3.315453 1.728372 -1.466322
H 3.028090 0.049821 -1.941364
H 4.583704 -1.084363 0.927140
H 4.892532 0.576301 1.447573
H -0.399755 -2.132235 0.733655
H 0.076490 -2.226066 -0.965477
H 0.566781 1.546570 1.119081
H -0.103770 0.174049 2.006310
H 5.338056 -0.515227 -1.336647
H 5.621072 1.156714 -0.828087
H -1.740259 -0.664730 -1.637054
H -2.410428 -2.034487 -0.734109
H -1.922063 1.746274 1.347780
H -1.438256 1.662599 -0.355011
H -2.509902 -0.684778 1.369438
H -5.623443 0.198414 0.519827


%chk=000216930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216930

0 1
O -4.796528 0.089881 0.868094
O -4.054820 0.829869 -1.201575
C 3.053429 0.211763 0.301509
C 0.551425 -0.410633 -0.021325
C 1.962753 -0.861861 0.433139
C 3.461459 0.696588 -1.139252
C 4.549217 -0.212576 0.532828
C 4.960814 0.696029 -0.678567
C -0.420420 -1.616667 -0.087042
C -0.044983 0.691001 0.892429
C -1.841805 -1.209064 -0.532791
C -1.464642 1.113205 0.452181
C -2.424742 -0.111141 0.403487
C -3.791200 0.320954 -0.088153
H 2.814613 1.086359 0.937636
H 0.638093 0.010468 -1.047939
H 2.267200 -1.742473 -0.172101
H 1.910830 -1.210667 1.487507
H 3.039905 1.649475 -1.501247
H 3.264616 -0.087933 -1.894127
H 4.698226 -1.285416 0.308953
H 4.998759 0.011135 1.514991
H -0.468501 -2.095874 0.914132
H -0.021714 -2.380059 -0.784290
H 0.609916 1.583143 0.898052
H -0.077018 0.311680 1.936216
H 5.706511 0.293227 -1.383646
H 5.289753 1.697300 -0.348153
H -1.817577 -0.812657 -1.566733
H -2.508080 -2.093218 -0.537243
H -1.865196 1.878005 1.145192
H -1.429371 1.571816 -0.555443
H -2.539608 -0.524701 1.422696
H -5.670809 0.391941 0.496284


