%chk=000088937.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088937

0 1
 O   -1.025000     -0.9013000       2.292300    
 O   -2.507200      -1.913500      -2.128000    
 O   -1.702300      -2.506300     -8.6700000E-02
 N    4.525800      0.3256000     -0.5822000    
 C    3.200800      0.1840000     -0.1202000    
 C   0.5798000     -9.5600002E-02  0.7935000    
 C   -1.950200      0.3792000      0.5675000    
 C  -0.7866000     -0.2421000       1.269400    
 C    2.151800      0.7865000     -0.8148000    
 C    2.939200     -0.5584000       1.031500    
 C   0.8413000      0.6468000     -0.3580000    
 C    1.628600     -0.6982000       1.488300    
 C   -2.611400     -0.3182000     -0.4175000    
 C   -2.314400       1.651400      0.9499000    
 C    5.505700     -0.7126000     -0.3305000    
 C    4.928700       1.516900      -1.302600    
 C   -3.694400      0.2876000      -1.054500    
 C   -3.397400       2.257100      0.3128000    
 C   -4.087400       1.575200     -0.6894000    
 C   -2.225400      -1.664100     -0.8210000    
 H    2.320200       1.360800      -1.721400    
 H    3.733700      -1.030300       1.602500    
 H   5.5199999E-02   1.129300     -0.9305000    
 H    1.451400      -1.279700       2.389200    
 H   -1.781500       2.186900       1.729900    
 H    6.358300     -0.6246000      -1.013200    
 H    5.081500      -1.711200     -0.4849000    
 H    5.893300     -0.6409000      0.6912000    
 H    4.606900       1.465700      -2.348100    
 H    6.018500       1.631600      -1.299200    
 H    4.515800       2.422300     -0.8436000    
 H   -4.261500     -0.2213000      -1.829500    
 H   -3.703900       3.259400      0.5976000    
 H   -4.932600       2.046000      -1.183100    
 H   -2.244800      -2.821300      -2.391300    


%chk=000088937-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088937

0 1
O -1.029574 -0.781446 2.529507
O -2.579045 -1.732168 -2.384999
O -1.167343 -2.198458 -0.606177
N 4.566796 0.256093 -0.609280
C 3.262333 0.142341 -0.132200
C 0.568602 -0.106341 0.847182
C -1.972796 0.364791 0.643568
C -0.798197 -0.252037 1.395960
C 2.168720 0.789870 -0.797133
C 2.966507 -0.628461 1.043745
C 0.858234 0.659774 -0.315086
C 1.654492 -0.741181 1.513687
C -2.538422 -0.167050 -0.553946
C -2.558881 1.521040 1.214958
C 5.670332 -0.426884 0.081635
C 4.844827 1.048213 -1.815523
C -3.650342 0.475496 -1.162477
C -3.660609 2.158016 0.604078
C -4.205990 1.637096 -0.593048
C -2.009787 -1.432885 -1.130854
H 2.346579 1.393654 -1.691141
H 3.768346 -1.140662 1.582637
H 0.046301 1.171205 -0.845096
H 1.431374 -1.332390 2.408363
H -2.143397 1.915279 2.148063
H 6.614178 -0.225035 -0.448293
H 5.521011 -1.524865 0.106251
H 5.783104 -0.072786 1.125866
H 4.308651 0.650492 -2.700704
H 5.924016 1.020227 -2.032125
H 4.550883 2.109207 -1.685826
H -4.070197 0.042200 -2.074014
H -4.093432 3.053973 1.062631
H -5.063084 2.125444 -1.068577
H -2.203690 -2.599065 -2.696232


