%chk=000027274.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027274

0 1
 O   -2.500500     -0.6417000      0.1207000    
 O   -1.686000       1.402600      0.8130000    
 O    2.862400      0.5428000      -2.273000    
 O    3.102800       2.240100      0.6941000    
 O    2.254600      -1.136300       2.051500    
 O    2.224600      -1.490700      -1.754300    
 O    4.650900      0.8091000      8.6199999E-02
 O    3.481600      -1.980800      0.4437000    
 N    2.479200     -0.3129000      -1.462700    
 N    3.471600       1.125200      0.2942000    
 N    2.751700      -1.098500      0.9161000    
 C   -3.817900     -0.2126000      0.3995000    
 C   -4.227000      0.9622000     -0.4745000    
 C   -4.831300      -1.279000      1.7999999E-02
 C   -5.750400      0.9313000     -0.4503000    
 C   -6.140100     -0.5110000     -0.1167000    
 C   0.9806000      0.6351000      0.2914000    
 C  -0.1793000     -0.3352000      1.6400000E-02
 C    2.390200      7.7299997E-02  1.1400000E-02
 C   -1.517800      0.2730000      0.3750000    
 H   -3.919000      2.9700000E-02   1.465800    
 H   -3.855400       1.927000     -0.1186000    
 H   -3.856600      0.8326000      -1.499200    
 H   -4.558800      -1.748700     -0.9354000    
 H   -4.890600      -2.079400      0.7623000    
 H   -6.169300       1.253700      -1.408900    
 H   -6.136600       1.607400      0.3213000    
 H   -6.695500     -0.5353000      0.8281000    
 H   -6.782800     -0.9486000     -0.8871000    
 H   0.9095000      0.9740000       1.334800    
 H   0.8132000       1.533900     -0.3202000    
 H  -5.9000000E-02  -1.251000      0.6038000    
 H  -0.2150000     -0.5914000      -1.047500    


%chk=000027274-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027274

0 1
O -2.643263 -0.342754 0.333801
O -1.482575 1.444452 1.295286
O 1.656411 0.831348 -2.258919
O 3.516065 1.388700 1.404659
O 1.927727 -2.318894 0.608166
O 2.713792 -1.198802 -2.226960
O 4.247084 1.311638 -0.762842
O 4.076863 -1.545517 0.612182
N 2.222141 -0.157665 -1.678732
N 3.470237 0.989048 0.192796
N 2.821941 -1.425063 0.420615
C -3.965877 0.232526 0.810659
C -4.468304 1.285020 -0.202755
C -4.982650 -0.936371 0.764777
C -5.245166 0.453427 -1.252353
C -5.987417 -0.594485 -0.380328
C 0.997849 0.434677 0.504723
C -0.271792 -0.327395 0.068195
C 2.304162 -0.039922 -0.117430
C -1.500929 0.374492 0.640107
H -3.781122 0.652078 1.813596
H -5.161797 1.969568 0.324252
H -3.647552 1.897945 -0.610848
H -4.434550 -1.870576 0.552306
H -5.488406 -1.065613 1.737298
H -4.535408 -0.051171 -1.934768
H -5.929331 1.065502 -1.865085
H -6.906836 -0.144661 0.040386
H -6.289154 -1.489428 -0.951297
H 1.115031 0.401269 1.601792
H 0.879231 1.501651 0.242460
H -0.263276 -1.375747 0.405644
H -0.379131 -0.345376 -1.032483


