%chk=000018161.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018161

0 1
 O   -2.691100      -1.928100      0.3476000    
 N    5.021500     -8.3999999E-02 -0.1739000    
 N  -0.4924000      0.4787000      0.6170000    
 N   -1.105200      0.2441000     -0.4510000    
 C    3.632400      5.7999998E-02  2.5100000E-02
 C    3.021600       1.295800     -0.1765000    
 C    2.869200      -1.039600      0.4237000    
 C   0.8849000      0.3387000      0.4191000    
 C    1.647900       1.436200      2.0600000E-02
 C    1.495400     -0.8992000      0.6207000    
 C    5.913500       1.035600      5.2299999E-02
 C    5.576500      -1.355400     -0.5941000    
 C   -2.489200      0.3847000     -0.2516000    
 C   -3.258600     -0.7059000      0.1448000    
 C   -3.082300       1.627500     -0.4567000    
 C   -4.631700     -0.5523000      0.3376000    
 C   -4.455400       1.780900     -0.2639000    
 C   -5.230000      0.6910000      0.1331000    
 C   -2.627000      -2.806500     -0.7739000    
 H    3.584600       2.167300     -0.4983000    
 H    3.314800      -2.014200      0.6012000    
 H    1.180600       2.404200     -0.1408000    
 H   0.9092000      -1.759200      0.9341000    
 H    5.896900       1.723400     -0.7995000    
 H    6.947800      0.6974000      0.1819000    
 H    5.645800       1.584300      0.9624000    
 H    6.577900      -1.227700      -1.020300    
 H    4.962100      -1.824700      -1.370900    
 H    5.665600      -2.040000      0.2560000    
 H   -2.487200       2.482200     -0.7672000    
 H   -5.241500      -1.396700      0.6475000    
 H   -4.921300       2.748900     -0.4233000    
 H   -6.298900      0.8106000      0.2832000    
 H   -2.038500      -2.360400      -1.581700    
 H   -3.633500      -3.046600      -1.130700    
 H   -2.138600      -3.731900     -0.4564000    


%chk=000018161-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018161

0 1
O -3.506443 -2.247924 -0.139765
N 5.081541 -0.115783 -0.206818
N -0.516946 0.848385 -0.034726
N -1.343589 -0.176263 -0.081978
C 3.702671 0.092120 -0.164656
C 3.152820 1.412993 -0.064466
C 2.783206 -1.012120 -0.221197
C 0.859580 0.512806 -0.081139
C 1.765803 1.607924 -0.024831
C 1.400401 -0.804560 -0.180127
C 6.000393 1.028727 -0.133344
C 5.623808 -1.476830 -0.324255
C -2.724918 0.176811 -0.040835
C -3.709396 -0.869703 -0.073244
C -3.180288 1.532025 0.028855
C -5.091633 -0.531002 -0.033076
C -4.542625 1.851132 0.066211
C -5.507856 0.806646 0.035394
C -2.178629 -2.873676 -0.216562
H 3.810870 2.284575 -0.019670
H 3.161816 -2.035507 -0.296719
H 1.345160 2.616510 0.050400
H 0.709713 -1.652371 -0.224060
H 5.855705 1.727218 -0.982205
H 7.039935 0.667307 -0.164850
H 5.866096 1.600668 0.806651
H 6.723357 -1.430532 -0.358712
H 5.275345 -1.978160 -1.249340
H 5.336416 -2.110839 0.538678
H -2.408952 2.307898 0.051148
H -5.811539 -1.354651 -0.058830
H -4.864390 2.896794 0.118417
H -6.577916 1.040171 0.064088
H -1.575555 -2.638518 0.676455
H -1.629381 -2.532898 -1.110240
H -2.398780 -3.952272 -0.273453


