%chk=000043854.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043854

0 1
 O    3.401900       1.629300     -0.9871000    
 O    1.478400      0.4853000      -2.400100    
 O    4.497000     -0.2961000      0.7476000    
 O    3.005000      -2.675100      0.8238000    
 O    2.413800      -1.837400      -1.624400    
 O  -0.4565000      -1.979700      -1.323000    
 O   -2.701100       2.522400      0.3993000    
 O   -4.851800       1.308000       1.049400    
 C    2.192200       1.395400     -0.2573000    
 C    1.390200      0.2679000     -0.9856000    
 C    2.544900       1.043800       1.213600    
 C    3.216400     -0.3301000       1.384400    
 C    2.351800      -1.420000      0.7430000    
 C    2.094300      -1.071500     -0.7139000    
 C  -9.6100003E-02  0.2724000     -0.6278000    
 C    1.397700       2.681200     -0.2368000    
 C    3.458800     -0.6149000       2.871000    
 C  -0.6939000       1.419100     -0.2414000    
 C   5.7700001E-02   2.665800     -0.2254000    
 C  -0.9031000     -0.9749000     -0.7820000    
 C   -2.140000       1.469000      0.1182000    
 C   -2.288400     -0.9778000     -0.2818000    
 C   -2.887200      0.2020000      0.1493000    
 C   -3.012700      -2.176700     -0.2567000    
 C   -4.210800      0.1886000      0.6072000    
 C   -4.329900      -2.188600      0.2026000    
 C   -4.928400      -1.007300      0.6339000    
 H    3.230600       1.813000       1.596800    
 H    1.639900       1.073900       1.835700    
 H    1.387900      -1.509700       1.256500    
 H    1.926400       3.628700     -0.1904000    
 H    4.000300      -1.556800       3.013400    
 H    4.083300      0.1672000       3.318100    
 H    2.518500     -0.6680000       3.429300    
 H  -0.4844000       3.605000     -0.1915000    
 H    3.923900      0.8097000     -0.9834000    
 H   0.9466000     -0.1960000      -2.846600    
 H    4.886900      -1.184300      0.8172000    
 H    2.389600      -3.347300      0.4843000    
 H   -2.568900      -3.111800     -0.5880000    
 H   -4.888900      -3.119500      0.2230000    
 H   -5.954900      -1.025900      0.9905000    
 H   -4.238200       2.056100       1.101000    


%chk=000043854-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043854

0 1
O 3.397729 1.555469 -1.021304
O 1.109086 0.399441 -2.392312
O 4.484433 -0.208421 0.679161
O 3.349644 -2.666088 0.626171
O 2.571094 -1.717699 -1.732277
O -0.267666 -2.160398 -0.570920
O -2.749799 2.629043 0.472021
O -4.999735 1.474008 0.798027
C 2.154969 1.353620 -0.297584
C 1.285842 0.192325 -0.965559
C 2.436855 0.981324 1.200780
C 3.181890 -0.356814 1.384914
C 2.428839 -1.534132 0.675516
C 2.048162 -1.121022 -0.745484
C -0.137569 0.215636 -0.404253
C 1.379336 2.652828 -0.325021
C 3.435662 -0.685735 2.864132
C -0.733796 1.435982 -0.116665
C 0.021459 2.684954 -0.184792
C -0.882898 -1.053905 -0.366894
C -2.184954 1.490228 0.211789
C -2.340548 -1.007908 -0.061084
C -2.959641 0.250208 0.220184
C -3.101538 -2.190560 -0.046575
C -4.362932 0.294157 0.518222
C -4.491883 -2.132310 0.246782
C -5.122498 -0.910075 0.527822
H 3.062565 1.783259 1.632099
H 1.492441 0.950944 1.773382
H 1.521274 -1.802140 1.246407
H 1.982358 3.561250 -0.427558
H 3.941907 -1.662170 2.956235
H 4.079125 0.090511 3.312097
H 2.488774 -0.731839 3.432473
H -0.538500 3.621584 -0.118654
H 4.082673 0.939794 -0.610579
H 1.746737 -0.217040 -2.855691
H 4.834124 -1.135424 0.560133
H 3.327834 -3.013181 -0.311674
H -2.605179 -3.139818 -0.267161
H -5.082009 -3.054436 0.253130
H -6.190211 -0.849428 0.756015
H -4.294654 2.228377 0.740449


