%chk=000030804.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030804

0 1
 O    1.235900      0.1057000      9.8999999E-03
 O   -3.134800      -1.513500     -1.0000000E-03
 O   -1.190100       2.303400       1.088000    
 O    4.731100      0.2196000      3.0000000E-03
 O    3.219600       1.811500      2.7700000E-02
 N   -1.827200      -1.983800     -1.0600000E-02
 N    3.517200      0.5806000      1.0700000E-02
 N   -1.225700       2.302600      -1.191100    
 C   -1.065400     -0.8864000      1.8000000E-03
 C   -1.828900      0.2935000      1.9300001E-02
 C   0.4067000     -0.9709000     -2.7999999E-03
 C   -3.122800     -0.1562000      1.6799999E-02
 C    1.132100      -2.139400     -2.0000000E-02
 C    2.504600     -0.3806000      1.9999999E-04
 C    2.494500      -1.756000     -1.8300001E-02
 C   -4.434300      0.5063000      2.9200001E-02
 C   -1.412400       1.663600      3.7300002E-02
 H   0.7457000      -3.149200     -3.2600001E-02
 H    3.357300      -2.407000     -2.9200001E-02
 H   -4.361100       1.526300      0.4186000    
 H   -4.844500      0.5566000     -0.9841000    
 H   -5.142700     -4.1200001E-02  0.6589000    
 H   -1.382100       1.828000      -2.074600    
 H  -0.9236000       3.270100      -1.234700    


%chk=000030804-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030804

0 1
O 1.177376 0.102639 -0.255245
O -3.168845 -1.561173 0.271457
O -2.794245 2.569993 -0.338857
O 4.738874 0.167938 -0.503844
O 3.160615 1.841908 -0.640261
N -1.786172 -1.981065 0.240339
N 3.519662 0.604907 -0.485226
N -0.498887 2.324723 -0.457604
C -1.083873 -0.825659 0.028618
C -1.953410 0.339388 -0.080989
C 0.355023 -1.016514 -0.039403
C -3.245131 -0.179540 0.078615
C 1.156937 -2.159475 0.070644
C 2.494715 -0.371553 -0.275024
C 2.520756 -1.747877 -0.079024
C -4.616644 0.399437 0.087059
C -1.765180 1.815392 -0.301184
H 0.783327 -3.166223 0.240292
H 3.413664 -2.366894 -0.049199
H -4.693792 1.189975 0.851680
H -4.829814 0.898625 -0.873657
H -5.360051 -0.392542 0.273914
H 0.356130 1.765266 -0.436483
H -0.431936 3.331925 -0.604219


