%chk=000094873.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094873

0 1
 O   0.7209000      0.1919000      9.9999997E-05
 O   -1.300700       1.954300     -2.9400000E-02
 O    1.329400      -2.030500      1.1100000E-02
 N  -0.6161000     -0.2475000      2.0999999E-03
 C   -2.975400      0.3075000     -3.0000000E-03
 C    2.996700     -0.3258000      4.9999999E-03
 C   -3.963300       1.121600     -0.5571000    
 C   -3.318200     -0.9248000      0.5533000    
 C    3.984500      -1.077500     -0.5974000    
 C    3.259900      0.8882000      0.6055000    
 C   -1.588100      0.7435000     -4.9999999E-03
 C   -5.294000      0.7034000     -0.5549000    
 C   -4.648900      -1.343100      0.5554000    
 C   -5.636800     -0.5290000      1.4000000E-03
 C    5.293000     -0.5942000     -0.5993000    
 C    4.568300       1.371800      0.6036000    
 C    1.604000     -0.8403000      7.4000000E-03
 C    5.584800      0.6305000      1.1000000E-03
 H   -3.716400       2.083300     -0.9992000    
 H   -2.582800      -1.576000       1.016700    
 H    3.769100      -2.030600      -1.071000    
 H    2.490100       1.478200       1.093700    
 H   -6.063300       1.336800     -0.9869000    
 H   -4.917200      -2.300100      0.9935000    
 H    6.084400      -1.170900      -1.068900    
 H    4.796600       2.323800       1.073900    
 H   -6.673100     -0.8541000      4.3000001E-03
 H    6.603700       1.006600      9.9999997E-05
 H  -0.7746000      -1.248600     -2.6400000E-02


%chk=000094873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094873

0 1
O 0.709921 0.329788 0.158136
O -1.399662 2.087134 0.284637
O 1.200826 -1.861694 -0.469986
N -0.653427 -0.121145 0.091852
C -3.038993 0.284333 0.096977
C 3.019243 -0.251782 -0.075263
C -4.069982 1.161744 -0.325718
C -3.360571 -1.051421 0.456687
C 4.046297 -1.192619 -0.353177
C 3.347803 1.087467 0.269115
C -1.644347 0.853369 0.168723
C -5.400898 0.704319 -0.411574
C -4.694772 -1.505648 0.371389
C -5.716324 -0.632114 -0.068514
C 5.396473 -0.795382 -0.285998
C 4.701401 1.475222 0.334184
C 1.618964 -0.717554 -0.162722
C 5.725979 0.537784 0.057854
H -3.804131 2.195115 -0.571353
H -2.589437 -1.728388 0.842741
H 3.767970 -2.218197 -0.617184
H 2.548988 1.804918 0.477646
H -6.191417 1.386632 -0.742261
H -4.938393 -2.534246 0.658644
H 6.189660 -1.519232 -0.500316
H 4.958315 2.506175 0.598829
H -6.750903 -0.986831 -0.132834
H 6.776351 0.845193 0.109505
H -0.738433 -1.094540 -0.230319


