%chk=000116321.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116321

2 1
O 7.683909 -0.218616 -0.894284
O -7.686127 -0.339448 0.852445
N 5.103392 0.060079 0.404699
N -5.105722 0.116711 -0.395562
C 3.768913 0.822055 0.345565
C -3.771127 0.862893 -0.231273
C 6.227547 1.097227 0.537399
C 5.308636 -0.738262 -0.884332
C -5.310935 -0.852975 0.770056
C -6.229736 1.162387 -0.382699
C 2.533230 -0.074283 0.195040
C -2.535564 -0.045830 -0.207004
C 5.116692 -0.860803 1.603297
C -5.119297 -0.628681 -1.710494
C 1.260679 0.789755 0.154244
C -1.262925 0.803926 -0.046015
C -0.001169 -0.072200 -0.006809
C 7.617342 0.460835 0.364804
C 6.740795 -1.291268 -0.993811
C -6.743160 -1.415647 0.801815
C -7.619608 0.508372 -0.300014
H 3.674976 1.438565 1.272643
H 3.813252 1.545583 -0.505141
H -3.677209 1.602294 -1.063647
H -3.815259 1.461124 0.711770
H 6.095477 1.878188 -0.252615
H 6.157835 1.617767 1.519490
H 4.568615 -1.566991 -0.946987
H 5.117199 -0.065943 -1.757509
H -4.571015 -1.682454 0.716853
H -5.119304 -0.308531 1.728157
H -6.097452 1.825976 0.508151
H -6.160064 1.814336 -1.282940
H 2.592392 -0.683103 -0.730460
H 2.460375 -0.795764 1.035043
H -2.462676 -0.643180 -1.139371
H -2.594912 -0.777712 0.624582
H 4.344819 -1.648855 1.527133
H 6.091610 -1.376291 1.715578
H 4.935395 -0.310005 2.545893
H -4.347674 -1.419912 -1.744605
H -6.094373 -1.123272 -1.893278
H -4.937830 0.047699 -2.567415
H 1.181994 1.395634 1.080491
H 1.321959 1.519066 -0.679805
H -1.184153 1.533131 -0.878643
H -1.324156 1.409711 0.881651
H -0.071276 -0.800072 0.826401
H 0.068868 -0.676710 -0.933424
H 7.891126 -0.220001 1.190657
H 8.408453 1.239232 0.260045
H 6.942099 -1.693407 -2.013246
H 6.962289 -2.075417 -0.247870
H -6.964856 -2.088499 -0.045829
H -6.944405 -1.955525 1.755502
H -8.410587 1.264765 -0.087989
H -7.893597 -0.051056 -1.212429


%chk=000116321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116321

2 1
O 7.772616 -0.076855 -1.047109
O -7.855372 -0.197585 0.831052
N 5.190381 0.047090 0.407196
N -5.179772 0.100756 -0.413332
C 3.801148 0.741175 0.353431
C -3.800348 0.775832 -0.177688
C 6.262978 1.174150 0.450237
C 5.414881 -0.789626 -0.877735
C -5.488490 -0.892006 0.735831
C -6.251438 1.229137 -0.386407
C 2.573068 -0.185196 0.286971
C -2.573163 -0.153922 -0.174506
C 5.292134 -0.825267 1.654586
C -5.192823 -0.603325 -1.766766
C 1.277928 0.672732 0.236298
C -1.284540 0.684787 0.052301
C -0.002859 -0.184227 0.081960
C 7.687724 0.641903 0.226928
C 6.879068 -1.235695 -1.029487
C -6.957165 -1.348870 0.726346
C -7.686025 0.679378 -0.329865
H 3.754865 1.383114 1.252527
H 3.830275 1.397606 -0.534830
H -3.704630 1.538910 -0.972150
H -3.885689 1.299868 0.791266
H 6.001812 1.873451 -0.361709
H 6.162934 1.686803 1.422753
H 4.734075 -1.655771 -0.842817
H 5.138250 -0.134650 -1.721561
H -4.801191 -1.748116 0.638134
H -5.275895 -0.350979 1.673645
H -6.048463 1.819176 0.523104
H -6.088029 1.859436 -1.277709
H 2.610293 -0.825204 -0.614759
H 2.524739 -0.850197 1.169329
H -2.478530 -0.692164 -1.136091
H -2.652595 -0.910908 0.628346
H 4.599258 -1.673591 1.563730
H 6.316798 -1.205107 1.763072
H 5.030443 -0.218376 2.535121
H -4.518034 -1.470256 -1.735609
H -6.209574 -0.945567 -2.001467
H -4.857880 0.106169 -2.539208
H 1.203158 1.282281 1.159433
H 1.339841 1.385723 -0.610960
H -1.192530 1.441720 -0.753046
H -1.368226 1.244404 1.005797
H -0.067519 -0.910867 0.916811
H 0.062825 -0.777586 -0.852572
H 8.040406 0.003384 1.063049
H 8.374797 1.498412 0.139932
H 7.000090 -1.727942 -2.007399
H 7.182225 -1.956291 -0.241441
H -7.200901 -1.960241 -0.167503
H -7.143865 -1.962655 1.621652
H -8.380274 1.521213 -0.179340
H -7.979490 0.157029 -1.263868


