%chk=000050807.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050807

0 1
 O   0.7605000     -0.6007000     -7.3100001E-02
 O    1.941900      -2.558000      0.1963000    
 N   -2.890600      -1.029100     -0.2107000    
 N    6.488500       1.945700     -9.0499997E-02
 C   -3.992100     -8.8600002E-02 -0.4071000    
 C   -5.327800     -0.8402000     -0.3923000    
 C   -3.954100      0.9924000      0.6787000    
 C   -6.508700      0.1208000     -0.5182000    
 C   -5.136400       1.951300      0.5508000    
 C   -6.468200       1.206100      0.5538000    
 C   -1.612600     -0.3341000     -0.2111000    
 C  -0.4659000      -1.319400     -5.0200000E-02
 C    1.892700      -1.345300      6.0500000E-02
 C    3.099000     -0.4806000      2.2000000E-02
 C    4.220700     -0.8688000      0.7256000    
 C    3.061600      0.6842000     -0.7172000    
 C    5.354400     -5.6899998E-02  0.6885000    
 C    4.195300       1.495900     -0.7544000    
 C    5.341700       1.125400     -5.1500000E-02
 H   -3.884500      0.3904000      -1.390100    
 H   -5.429400      -1.411500      0.5400000    
 H   -5.364100      -1.565400      -1.214500    
 H   -3.059500       1.619100      0.6100000    
 H   -3.963900      0.5365000       1.677400    
 H   -7.448100     -0.4381000     -0.4412000    
 H   -6.494800      0.5874000      -1.510800    
 H   -5.042700       2.525800     -0.3791000    
 H   -5.117300       2.673200       1.375200    
 H   -7.287900       1.915000      0.3921000    
 H   -6.628600      0.7511000       1.539000    
 H   -2.904400      -1.732200     -0.9491000    
 H   -1.512200      0.3644000      0.6252000    
 H   -1.469800      0.2407000      -1.134800    
 H  -0.4727000      -2.046500     -0.8716000    
 H  -0.5563000      -1.855900      0.9024000    
 H    4.241700      -1.785400       1.307800    
 H    2.186600      0.9881000      -1.283900    
 H    6.241500     -0.3563000       1.240800    
 H    4.174300       2.413300      -1.337300    
 H    7.319200       1.679000      0.4209000    
 H    6.478800       2.804300     -0.6248000    


%chk=000050807-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050807

0 1
O 0.824018 -0.405104 0.057243
O 1.891987 -2.307895 0.884889
N -2.878626 -0.799531 -0.107673
N 6.886209 1.650086 -0.463393
C -4.066242 0.060209 -0.349076
C -5.306741 -0.839111 -0.559972
C -4.309236 1.026904 0.836913
C -6.591159 -0.004223 -0.775034
C -5.584061 1.878115 0.622635
C -6.824244 0.981366 0.394947
C -1.559276 -0.149495 -0.254528
C -0.475608 -1.090079 0.280715
C 1.967839 -1.141259 0.415846
C 3.217294 -0.387450 0.174652
C 4.456082 -1.004461 0.500659
C 3.229770 0.925793 -0.369801
C 5.671016 -0.337208 0.292995
C 4.439947 1.602804 -0.582905
C 5.684201 0.982368 -0.254647
H -3.936036 0.681916 -1.274936
H -5.421811 -1.484202 0.334855
H -5.139969 -1.510633 -1.428117
H -3.434231 1.689974 0.980464
H -4.406351 0.416181 1.756506
H -7.462291 -0.678094 -0.888575
H -6.503494 0.567650 -1.722086
H -5.444287 2.537338 -0.259655
H -5.744316 2.541616 1.494229
H -7.717942 1.604367 0.195895
H -7.031666 0.405658 1.320606
H -2.931016 -1.661592 -0.670037
H -1.548715 0.779611 0.341969
H -1.313479 0.136054 -1.306250
H -0.464687 -2.061831 -0.249521
H -0.611533 -1.287698 1.357967
H 4.437839 -2.016350 0.919423
H 2.278820 1.403646 -0.621766
H 6.618148 -0.826436 0.550797
H 4.435335 2.615935 -1.003303
H 7.772911 1.212608 -0.229385
H 6.901402 2.589553 -0.850045


