%chk=000094145.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094145

0 1
 O   0.2931000       1.606000      0.8316000    
 O   0.8956000     -0.2788000      -2.135300    
 N   -1.647800     -0.5603000       1.304500    
 N    1.206400     -0.5704000       1.176500    
 C  -0.9271000     -0.3002000      2.9899999E-02
 C   0.4578000      0.2899000      0.2596000    
 C   -3.150000      0.8439000     -0.2857000    
 C   -1.772300      0.5752000     -0.9211000    
 C    1.336800      0.4630000      -1.016000    
 C   -3.841900     -0.4873000      9.3699999E-02
 C   -2.882700      -1.317500      0.9777000    
 C   -2.879100       1.598500       1.028800    
 C   -2.039800      0.7083000       1.958400    
 C    1.319200       1.958200      -1.260500    
 C    2.655900     -9.5600002E-02 -0.5625000    
 C    1.131300       2.530500      0.1271000    
 C    2.510100     -0.6652000      0.7050000    
 C   -4.299300      -1.257900      -1.108300    
 C    3.872000     -0.1157000      -1.226900    
 C    3.574900      -1.300300       1.320200    
 C    4.955700     -0.7331000     -0.6012000    
 C    4.807400      -1.324600      0.6625000    
 C   -5.576300      -1.566700      -1.357900    
 H  -0.7802000      -1.279000     -0.4499000    
 H   -3.774600       1.448600     -0.9527000    
 H   -1.892800      6.7699999E-02  -1.884900    
 H   -1.323500       1.545200      -1.136700    
 H   -4.722200     -0.2375000      0.7041000    
 H   -3.391900      -1.594300       1.910400    
 H   -2.612500      -2.273600      0.5100000    
 H   -3.824000       1.866800       1.516100    
 H   -2.346900       2.534500      0.8218000    
 H   -1.201100       1.246200       2.406100    
 H   -2.653200      0.4579000       2.836000    
 H   0.4893000       2.240300      -1.916000    
 H    2.228100       2.340400      -1.736800    
 H   0.9591000     -0.7051000       2.146100    
 H    2.082400       2.610100      0.6645000    
 H   0.6571000       3.515600      0.1126000    
 H   -3.546400      -1.601300      -1.813100    
 H    1.070000      -1.222600      -1.978700    
 H    3.982800      0.3276000      -2.210400    
 H    3.464700      -1.767500       2.293500    
 H    5.920800     -0.7646000      -1.099400    
 H    5.659100      -1.810200       1.131200    
 H   -5.840800      -2.134700      -2.243100    
 H   -6.375800      -1.262200     -0.6917000    


%chk=000094145-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094145

0 1
O 0.280395 2.083993 0.586384
O 0.790324 0.109557 -2.305425
N -1.565193 -0.346990 1.350540
N 1.173271 -0.108453 1.210495
C -0.975646 0.036737 0.014417
C 0.430706 0.659136 0.206242
C -3.373864 0.811575 -0.108682
C -1.989452 0.888042 -0.811795
C 1.399593 0.664833 -1.084218
C -3.800265 -0.674040 0.156845
C -2.685293 -1.301997 1.097197
C -3.261918 1.533198 1.261327
C -2.104468 0.855151 2.076616
C 1.663571 2.167073 -1.346190
C 2.600561 -0.140265 -0.616230
C 1.448765 2.810139 0.033327
C 2.390875 -0.584127 0.721639
C -3.992744 -1.475339 -1.109668
C 3.771158 -0.479207 -1.314956
C 3.355298 -1.393888 1.367911
C 4.745632 -1.288156 -0.675704
C 4.526359 -1.737268 0.651516
C -5.154179 -2.057002 -1.502394
H -0.796424 -0.925434 -0.506077
H -4.139287 1.300907 -0.738002
H -2.032155 0.528507 -1.853820
H -1.660675 1.941936 -0.838091
H -4.764940 -0.651526 0.702379
H -3.120708 -1.583854 2.072677
H -2.265282 -2.218745 0.643955
H -4.225417 1.468355 1.803014
H -3.040538 2.604154 1.099665
H -1.270800 1.556270 2.236146
H -2.457826 0.507037 3.064312
H 0.908681 2.527152 -2.066955
H 2.670985 2.344645 -1.756403
H 0.608141 -0.563998 1.934711
H 2.328285 2.672676 0.693684
H 1.172687 3.875729 -0.000165
H -3.101070 -1.594444 -1.746601
H 0.960156 -0.867216 -2.317427
H 3.924023 -0.130697 -2.343425
H 3.205777 -1.741266 2.395631
H 5.663191 -1.567082 -1.203797
H 5.283059 -2.363051 1.139333
H -5.225918 -2.633616 -2.431576
H -6.070035 -1.970941 -0.903260


