%chk=000051972.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051972

0 1
 O   -6.374700     -3.0000001E-04 -0.1801000    
 N  -7.5499997E-02  6.0000003E-04  -1.279500    
 N    3.618200     -7.9999998E-04  0.7017000    
 C    1.177000       0.000000     -0.6075000    
 C    1.787600      -1.214900     -0.2801000    
 C    1.788200       1.214500     -0.2798000    
 C    3.025100      -1.167700      0.3837000    
 C    3.025700       1.166500      0.3840000    
 C   -1.396300      1.7000000E-03 -0.8122000    
 C    1.196100      -2.450000     -0.5976000    
 C    1.197300       2.450000     -0.5969000    
 C    3.638100      -2.374000      0.7124000    
 C    3.639300       2.372300      0.7130000    
 C    1.829600      -3.641700     -0.2579000    
 C    1.831400       3.641300     -0.2568000    
 C    3.053100      -3.603200      0.3984000    
 C    3.054900       3.601900      0.3996000    
 C   -1.660100      1.5000000E-03  0.5624000    
 C   -2.465400      1.6000000E-03  -1.715300    
 C   -4.035300      1.0000000E-03  0.1211000    
 C   -2.975100      1.1000000E-03   1.027600    
 C   -3.780500      1.3000000E-03  -1.250300    
 C   -5.406500     -6.9999998E-04  0.6061000    
 C   -5.692000     -2.2000000E-03   2.103900    
 H   2.2100000E-02  2.4999999E-03  -2.290600    
 H   0.2424000      -2.516300      -1.114600    
 H   0.2438000       2.517100      -1.114000    
 H    4.597400      -2.370200       1.226900    
 H    4.598600       2.367900       1.227600    
 H    1.371300      -4.594300     -0.5052000    
 H    1.373500       4.594300     -0.5037000    
 H  -0.8536000      1.3000000E-03   1.291200    
 H   -2.282300      1.4000000E-03  -2.787100    
 H    3.556000      -4.527300      0.6678000    
 H    3.558200       4.525700      0.6693000    
 H   -3.128700      6.9999998E-04   2.102100    
 H   -4.589500      1.0000000E-03  -1.976000    
 H   -5.285000      0.9002000       2.567500    
 H   -5.282600     -0.9043000       2.566000    
 H   -6.775300     -3.8999999E-03   2.261700    


%chk=000051972-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051972

0 1
O -6.423005 -0.000126 -0.164270
N -0.086556 0.002593 -1.453419
N 3.620957 -0.000357 0.764774
C 1.131977 0.001600 -0.686896
C 1.744118 -1.230066 -0.318267
C 1.746383 1.232297 -0.318823
C 3.008882 -1.175218 0.414807
C 3.011147 1.175467 0.414107
C -1.376671 0.001123 -0.909042
C 1.178213 -2.514426 -0.635664
C 1.182690 2.517555 -0.636534
C 3.649596 -2.409287 0.787488
C 3.654216 2.408526 0.786068
C 1.826702 -3.684798 -0.254393
C 1.833406 3.686912 -0.255930
C 3.074509 -3.632929 0.461127
C 3.081326 3.633075 0.459242
C -1.594911 -0.001657 0.499615
C -2.507434 0.002467 -1.783571
C -4.036046 -0.001838 0.145804
C -2.904676 -0.003084 1.007733
C -3.805270 0.001034 -1.260862
C -5.442379 -0.003316 0.644003
C -5.691486 -0.004435 2.151747
H -0.003227 0.005229 -2.471592
H 0.225005 -2.549959 -1.172479
H 0.229293 2.554619 -1.172920
H 4.595241 -2.335874 1.332945
H 4.599815 2.333624 1.331402
H 1.386750 -4.658512 -0.495659
H 1.395103 4.661324 -0.497386
H -0.738804 -0.002605 1.181262
H -2.350667 0.004608 -2.869839
H 3.567627 -4.567626 0.749274
H 3.576224 4.566995 0.746860
H -3.044058 -0.005192 2.094233
H -4.679956 0.002018 -1.920242
H -5.244814 0.886699 2.631189
H -5.245954 -0.896975 2.629599
H -6.776764 -0.003883 2.333308


