%chk=000057639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057639

0 1
 O   -1.776300     -0.1620000      0.5407000    
 N    4.884100      0.2002000     -0.4583000    
 C  -0.4294000     -8.8699996E-02  0.3390000    
 C   0.3207000      -1.257400      0.2067000    
 C   0.1983000       1.154900      0.2646000    
 C    1.698100      -1.182500      9.9999997E-05
 C    1.575800       1.229600      5.7900000E-02
 C    2.325600      6.0899999E-02 -7.4199997E-02
 C  -0.3333000      -2.597700      0.2839000    
 C  -0.5879000       2.416900      0.4031000    
 C   -2.604000     -0.1759000     -0.6198000    
 C   -4.027100     -0.3163000     -0.1924000    
 C    3.736700      0.1376000     -0.2860000    
 C   -4.981300      0.5805000     -0.4654000    
 H    2.282700      -2.094300     -0.1051000    
 H    2.064800       2.199900     -2.4000001E-03
 H   -1.092400      -2.623900       1.072700    
 H  -0.8010000      -2.847400     -0.6733000    
 H   0.3928000      -3.383000      0.5220000    
 H   -1.076500       2.665500     -0.5440000    
 H   -1.347700       2.327500       1.186800    
 H   5.4600000E-02   3.258500      0.6848000    
 H   -2.451900      0.7430000      -1.197700    
 H   -2.341800      -1.026800      -1.258700    
 H   -4.294300      -1.207200      0.3700000    
 H   -5.999300      0.4191000     -0.1282000    
 H   -4.767300       1.484600      -1.024600    


%chk=000057639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057639

0 1
O -1.775798 -0.183934 0.550259
N 5.008732 0.145937 -0.429060
C -0.382872 -0.093235 0.296653
C 0.355428 -1.308986 0.221321
C 0.241613 1.182870 0.213774
C 1.751544 -1.230660 0.033393
C 1.641243 1.226037 0.027313
C 2.399690 0.030043 -0.072401
C -0.350198 -2.643083 0.360324
C -0.566552 2.459161 0.349049
C -2.651525 0.002683 -0.646162
C -4.057721 -0.338300 -0.234205
C 3.824472 0.093513 -0.266053
C -5.128177 0.461921 -0.459505
H 2.345332 -2.148476 -0.029557
H 2.151380 2.193368 -0.033056
H -0.911183 -2.693182 1.310130
H -1.087670 -2.798803 -0.449054
H 0.370349 -3.477435 0.330320
H -0.926171 2.818535 -0.634892
H -1.450087 2.294884 0.988905
H 0.043088 3.267132 0.787957
H -2.581598 1.045299 -1.013018
H -2.293245 -0.678584 -1.447093
H -4.181735 -1.311548 0.259597
H -6.140781 0.156229 -0.175371
H -5.024861 1.444213 -0.937368


