%chk=000003630.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003630

0 1
 O   -4.558400      0.2807000     -0.7579000    
 N   0.8154000      0.4955000       2.513300    
 N   -2.290700      0.4494000      -1.153200    
 C   0.7336000      4.2599998E-02   1.114500    
 C    1.521200      0.3805000      -1.262500    
 C    1.238700      -2.029000     -0.3531000    
 C    1.231800      -1.430400       1.071100    
 C    1.949000      -1.098200      -1.352000    
 C    1.643800      0.8458000      0.1711000    
 C   7.9200000E-02  0.6437000      -1.740300    
 C  -0.7159000      0.1084000      0.5912000    
 C  -0.9878000      0.3930000     -0.7024000    
 C    1.889700      -3.412800     -0.3504000    
 C    2.468900       1.850400      0.5088000    
 C   -1.835600     -0.1870000       1.473500    
 C   -3.105900     -0.1366000       1.053000    
 C    3.321300       2.586100     -0.4651000    
 C   -3.398300      0.2179000     -0.3597000    
 H    2.180600      0.9247000      -1.947200    
 H   0.2025000      -2.169000     -0.6844000    
 H   0.6090000      -2.066200       1.716000    
 H    2.250600      -1.482800       1.482900    
 H    1.787800      -1.467600      -2.372700    
 H    3.032800      -1.151000      -1.176700    
 H  -0.1222000      3.9999999E-02  -2.634300    
 H   1.0000000E-03   1.695600      -2.048200    
 H    1.865400      -3.854400      -1.352300    
 H    2.935200      -3.361700     -2.8000001E-02
 H    1.359000      -4.089300      0.3277000    
 H   0.4179000     -0.1961000       3.146000    
 H   0.2913000       1.360100       2.639000    
 H    2.546300       2.170300       1.543600    
 H   -1.642100     -0.4739000       2.500900    
 H   -2.440400      0.6774000      -2.132100    
 H   -3.936400     -0.3602000       1.711700    
 H    3.869700       3.378600      5.5799998E-02
 H    2.720100       3.070400      -1.240900    
 H    4.065100       1.926400     -0.9224000    


%chk=000003630-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003630

0 1
O -4.662479 0.195156 -0.810820
N 0.904133 0.535332 2.470300
N -2.351530 0.372410 -1.147468
C 0.758061 0.056838 1.085141
C 1.474301 0.380660 -1.326657
C 1.199780 -2.039732 -0.381207
C 1.258484 -1.429171 1.039596
C 1.912394 -1.115572 -1.402831
C 1.635031 0.865827 0.107378
C 0.016696 0.620831 -1.818065
C -0.712259 0.107384 0.589228
C -1.021907 0.352155 -0.747705
C 1.809918 -3.459135 -0.400567
C 2.497095 1.827794 0.531125
C -1.808530 -0.143213 1.487334
C -3.132803 -0.129596 1.072120
C 3.431288 2.671865 -0.308292
C -3.492381 0.145938 -0.312587
H 2.141403 0.951629 -1.997832
H 0.133021 -2.124843 -0.672040
H 0.644125 -2.043791 1.731256
H 2.301465 -1.440494 1.414556
H 1.750151 -1.501405 -2.429955
H 3.004516 -1.156752 -1.211357
H -0.189033 -0.007437 -2.709887
H -0.082050 1.676513 -2.145762
H 1.740619 -3.910518 -1.408035
H 2.879180 -3.432333 -0.115345
H 1.287586 -4.129924 0.306847
H 0.733443 -0.169703 3.191446
H 0.448824 1.431541 2.667554
H 2.540427 1.994498 1.616459
H -1.581571 -0.344815 2.541220
H -2.580995 0.561595 -2.129745
H -3.960701 -0.318661 1.760784
H 3.240322 3.749901 -0.140220
H 3.341370 2.479529 -1.391458
H 4.485806 2.491000 -0.020209


