%chk=000228920.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228920

0 1
O -3.886962 0.918324 0.330149
O -3.817409 -0.975903 -1.048391
C -3.140972 -0.262206 -0.000204
C -5.986256 -0.094275 -0.369417
C -5.258351 0.670406 0.745010
C -5.190461 -1.338028 -0.792693
C -1.839828 0.235433 -0.623477
C -0.608360 -0.265798 0.134129
C 0.685635 0.247877 -0.512066
C 1.924635 -0.251470 0.243181
C 3.218384 0.262149 -0.403090
C -5.820239 2.063856 0.984219
C -5.265809 -2.482805 0.213987
C 4.458259 -0.237427 0.350812
C 5.750935 0.277226 -0.295918
C 6.992397 -0.223136 0.457071
C 8.259709 0.280493 -0.168801
C 9.297747 0.737104 0.529253
H -3.053729 -0.909480 0.891327
H -7.007628 -0.366625 -0.054735
H -6.098229 0.570208 -1.250979
H -5.221917 0.075105 1.684461
H -5.500647 -1.683835 -1.807904
H -1.861753 1.347043 -0.653232
H -1.808115 -0.085387 -1.687854
H -0.655622 0.063104 1.191029
H -0.602819 -1.373461 0.154927
H 0.732377 -0.076660 -1.569815
H 0.679831 1.355006 -0.536895
H 1.930004 -1.358309 0.267680
H 1.877550 0.073726 1.300455
H 3.213115 1.369146 -0.427131
H 3.264730 -0.061557 -1.460879
H -5.268236 2.574524 1.784266
H -6.878690 2.035101 1.258081
H -5.712911 2.691386 0.088340
H -4.513982 -3.247771 -0.022676
H -6.247909 -2.966777 0.194583
H -5.082033 -2.156950 1.242425
H 4.463413 -1.344246 0.374926
H 4.411048 0.086895 1.408414
H 5.749890 1.384760 -0.314498
H 5.795933 -0.042757 -1.354841
H 7.012712 -1.333909 0.462145
H 6.929337 0.074232 1.523557
H 8.282419 0.235289 -1.259565
H 10.212177 1.083098 0.071073
H 9.317833 0.802682 1.606660


%chk=000228920-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228920

0 1
O -3.448682 0.545983 0.382725
O -4.221663 -0.723323 -1.529968
C -3.225703 -0.631329 -0.461379
C -5.871500 0.394953 -0.045004
C -4.778675 0.479686 1.043732
C -5.622963 -0.782064 -1.023443
C -1.858503 -0.495440 -1.121546
C -0.693191 -0.483597 -0.108785
C 0.680094 -0.297310 -0.791114
C 1.856245 -0.254720 0.209956
C 3.230406 -0.059440 -0.469549
C -4.889466 1.725632 1.921958
C -5.965291 -2.171359 -0.446444
C 4.403095 0.021463 0.533536
C 5.777576 0.200674 -0.149012
C 6.945895 0.314321 0.867472
C 8.300337 0.406919 0.197323
C 9.187093 1.423598 0.345611
H -3.292396 -1.539952 0.185371
H -6.869002 0.288308 0.424368
H -5.858489 1.342078 -0.615892
H -4.802624 -0.435651 1.679426
H -6.218341 -0.626299 -1.940596
H -1.864763 0.441124 -1.710286
H -1.744647 -1.332028 -1.837022
H -0.862838 0.329966 0.621974
H -0.689093 -1.432567 0.468374
H 0.846658 -1.118348 -1.520097
H 0.668905 0.643178 -1.380746
H 1.870062 -1.193689 0.802400
H 1.686560 0.567595 0.936259
H 3.207750 0.866956 -1.080752
H 3.410675 -0.894274 -1.179032
H -4.071100 1.748518 2.661958
H -5.854423 1.738577 2.460778
H -4.818868 2.636402 1.301460
H -5.663961 -2.956761 -1.160973
H -7.056197 -2.252742 -0.283312
H -5.466361 -2.371323 0.518412
H 4.420018 -0.898338 1.155528
H 4.228025 0.865494 1.233212
H 5.763851 1.106999 -0.786898
H 5.965655 -0.656818 -0.828244
H 6.920872 -0.580111 1.526586
H 6.787796 1.195474 1.519617
H 8.559328 -0.431770 -0.469831
H 10.150808 1.429213 -0.176486
H 8.972240 2.281540 0.995474


