%chk=000028578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028578

0 1
 O    4.253300      0.4303000     -0.4704000    
 O    1.526800       1.981700      0.6884000    
 O    2.913200      -2.563500      0.3742000    
 O  -0.9768000       2.471100      0.3948000    
 O   -2.065300      -2.711100     -0.3255000    
 C  -0.1280000      0.2677000      0.2707000    
 C  -0.4196000      -1.084700      8.1000000E-02
 C    2.216100     -0.2762000      0.5331000    
 C    1.193200      0.6719000      0.4974000    
 C   -2.593800      0.8383000     -6.3999998E-03
 C   -2.885500     -0.5141000     -0.1959000    
 C   -1.204300       1.278700      0.2337000    
 C   -1.809100      -1.525100     -0.1588000    
 C   0.6099000      -2.032800      0.1171000    
 C    1.925000      -1.625600      0.3430000    
 C    3.629500      0.1502000      0.7750000    
 C   -3.623000       1.786600     -4.4500001E-02
 C   -4.206600     -0.9182000     -0.4231000    
 C   -4.938200       1.379600     -0.2709000    
 C   -5.229400      3.0099999E-02 -0.4597000    
 C    5.602800      0.8413000     -0.2977000    
 C    6.209900       1.123900      -1.655500    
 H   0.3940000      -3.088300     -2.9800000E-02
 H    3.685900       1.018100       1.443400    
 H    4.183800     -0.6459000       1.288800    
 H   -3.424000       2.845200      9.9500000E-02
 H   -4.459700      -1.964300     -0.5735000    
 H   -5.736200       2.115900     -0.3001000    
 H   -6.254100     -0.2842000     -0.6358000    
 H    2.414000       2.153000      0.3324000    
 H    5.638200       1.747400      0.3174000    
 H    6.170800      4.8900001E-02  0.2024000    
 H    2.524200      -3.441900      0.2231000    
 H    7.251200       1.443700      -1.559400    
 H    6.171400      0.2311000      -2.288200    
 H    5.646200       1.906100      -2.174400    


%chk=000028578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028578

0 1
O 4.190842 0.652880 -0.422620
O 1.860379 1.652380 -0.100993
O 2.739581 -2.999231 0.787704
O -0.709414 2.463196 -0.249490
O -2.316969 -2.783119 0.374458
C -0.042169 0.142695 0.072138
C -0.491826 -1.206187 0.253350
C 2.297846 -0.685659 0.352168
C 1.375812 0.382076 0.103128
C -2.484876 0.851656 -0.218494
C -2.926395 -0.490000 -0.051128
C -1.027266 1.236964 -0.138671
C -1.946013 -1.575902 0.205610
C 0.413604 -2.260498 0.474441
C 1.794578 -1.991648 0.532009
C 3.785902 -0.438079 0.497340
C -3.439408 1.870121 -0.458864
C -4.308578 -0.800095 -0.125764
C -4.811441 1.557784 -0.535843
C -5.248963 0.218382 -0.368672
C 5.614159 1.029630 -0.286915
C 5.901431 2.148219 -1.285115
H 0.004189 -3.269134 0.605486
H 4.032582 -0.131930 1.539126
H 4.353021 -1.355303 0.259191
H -3.074303 2.894749 -0.579767
H -4.612431 -1.842878 0.009831
H -5.542634 2.351315 -0.724715
H -6.316041 -0.020982 -0.427942
H 2.867836 1.582661 -0.267388
H 5.805878 1.353913 0.758294
H 6.231402 0.132231 -0.496494
H 2.298581 -3.880488 0.872291
H 6.963603 2.445883 -1.222879
H 5.692159 1.812773 -2.314801
H 5.281141 3.036525 -1.074212


