%chk=000187439.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187439

0 1
O 4.772988 0.642735 0.506328
O -4.599529 2.470078 0.362145
O -2.495897 -3.819397 -1.441312
O -2.173016 -3.624553 0.688179
N -1.906853 -3.375104 -0.473479
C -0.497277 -1.440508 0.368840
C 0.911358 -0.888774 0.322075
C -1.549379 -0.352345 0.323572
C -0.735866 -2.463751 -0.764214
C 1.592606 -0.660342 -0.877232
C 1.547533 -0.581297 1.544279
C -1.379606 0.815862 -0.424194
C -2.739886 -0.534706 1.059960
C 2.895963 -0.148891 -0.883554
C 2.836428 -0.070518 1.567347
C 3.507129 0.140504 0.341311
C -2.369975 1.804915 -0.454084
C -3.737083 0.428074 1.048454
C -3.540790 1.601430 0.284923
C 5.576843 0.904641 -0.688360
C 6.883539 1.436539 -0.100989
C -4.522551 3.727054 -0.386347
C 7.878322 1.776089 -1.203409
C -5.841905 4.399276 -0.062587
H -0.611822 -1.999026 1.345472
H 0.165974 -3.103836 -0.905394
H -0.920140 -1.951622 -1.736384
H 1.115713 -0.874152 -1.833677
H 1.017457 -0.742738 2.484877
H -0.461899 0.975987 -0.991843
H -2.881423 -1.451034 1.641122
H 3.404276 0.014742 -1.827048
H 3.341594 0.171847 2.500121
H -2.213066 2.703274 -1.039462
H -4.661955 0.303548 1.607786
H 5.052070 1.648779 -1.309486
H 5.708352 -0.041243 -1.238820
H 7.310427 0.685292 0.595372
H 6.673136 2.327476 0.526243
H -4.414841 3.487753 -1.457980
H -3.650261 4.295879 -0.021849
H 7.492825 2.548194 -1.879827
H 8.815957 2.157637 -0.779133
H 8.132666 0.898950 -1.810309
H -5.931893 5.368618 -0.565047
H -6.692952 3.774372 -0.369342
H -5.951094 4.562692 1.019055


%chk=000187439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187439

0 1
O 4.814295 0.795951 0.595656
O -4.719282 2.453792 0.490625
O -2.709959 -3.435138 -1.770370
O -2.217805 -3.797732 0.425296
N -1.974184 -3.280998 -0.728868
C -0.491150 -1.490169 0.314000
C 0.930446 -0.915229 0.311568
C -1.578966 -0.403662 0.353198
C -0.700735 -2.451849 -0.883371
C 1.737636 -0.822052 -0.846480
C 1.463373 -0.415406 1.532088
C -1.475483 0.778426 -0.417621
C -2.739012 -0.584150 1.153788
C 3.036545 -0.260983 -0.803023
C 2.748356 0.145984 1.596298
C 3.545643 0.224959 0.424980
C -2.494494 1.756333 -0.407348
C -3.762396 0.380241 1.178745
C -3.646632 1.555129 0.394809
C 5.694157 0.891013 -0.584918
C 7.004818 1.529095 -0.118979
C -4.655528 3.691039 -0.312694
C 8.011830 1.676159 -1.280596
C -5.938254 4.468135 -0.029425
H -0.605629 -2.111360 1.223266
H 0.121989 -3.188090 -0.941581
H -0.812357 -1.931959 -1.846596
H 1.370123 -1.187107 -1.812665
H 0.854935 -0.466296 2.443039
H -0.576873 0.954466 -1.020521
H -2.841765 -1.491649 1.760035
H 3.629974 -0.212140 -1.720701
H 3.159319 0.525526 2.536744
H -2.377325 2.659889 -1.012815
H -4.657416 0.245906 1.793689
H 5.205238 1.512209 -1.365060
H 5.872188 -0.123736 -0.999743
H 7.436686 0.906641 0.686517
H 6.782299 2.517857 0.323406
H -4.572498 3.428834 -1.387771
H -3.758126 4.274949 -0.020656
H 7.605616 2.312133 -2.089597
H 8.949019 2.141235 -0.927772
H 8.269505 0.693653 -1.718916
H -5.946866 5.410419 -0.607027
H -6.823527 3.874386 -0.313939
H -6.015533 4.713751 1.043406


