%chk=000138791.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138791

0 1
 O  -0.7956000      0.1890000      -1.770500    
 O   -4.315200       1.280400      0.2611000    
 C    1.779700     -0.5126000     -0.5248000    
 C   0.6073000      0.2105000      0.1862000    
 C  -0.7879000     -0.1154000     -0.3759000    
 C   -1.958300      0.6220000      0.3381000    
 C    3.148500     -3.1800002E-02  1.5799999E-02
 C    1.691900      -2.054700     -0.4567000    
 C   -3.332000      0.4560000     -0.3630000    
 C   -2.020200      0.2138000       1.815400    
 C    3.367700       1.478100     -0.1214000    
 C    1.727100      -2.645300      0.9465000    
 C   -3.869000     -0.9715000     -0.3043000    
 C    4.756000       1.881300      0.3537000    
 H    1.746200     -0.2407000      -1.588500    
 H   0.7371000       1.292000      7.4000001E-02
 H   0.6538000     -3.5999999E-03   1.258200    
 H  -0.9623000      -1.192500     -0.2903000    
 H   -1.737800       1.698800      0.3148000    
 H    3.246800     -0.2957000       1.075200    
 H    3.948400     -0.5592000     -0.5195000    
 H   0.7829000      -2.396800     -0.9638000    
 H    2.525900      -2.480300      -1.029500    
 H   -3.264500      0.7724000      -1.409600    
 H   -1.150100      0.5863000       2.364800    
 H   -2.050100     -0.8742000       1.933900    
 H   -2.902000      0.6339000       2.310100    
 H    3.238300       1.782000      -1.166200    
 H    2.642900       2.035400      0.4795000    
 H   0.8951000      -2.284100       1.557300    
 H    2.664500      -2.419200       1.461500    
 H    1.642500      -3.735800      0.8891000    
 H   -4.068800      -1.289700      0.7240000    
 H   -3.185600      -1.684700     -0.7728000    
 H   -4.829200      -1.029400     -0.8298000    
 H  -0.6673000       1.148500      -1.863600    
 H    5.532300       1.383800     -0.2364000    
 H    4.892700       2.962500      0.2511000    
 H    4.902600       1.618600       1.406300    
 H   -3.998900       2.198700      0.2141000    


%chk=000138791-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138791

0 1
O -0.805810 0.343646 -1.800195
O -4.400222 1.232315 0.263134
C 1.767851 -0.456539 -0.476873
C 0.574046 0.208194 0.263634
C -0.808663 -0.058649 -0.367879
C -1.982766 0.625780 0.387522
C 3.125757 0.021649 0.111768
C 1.668596 -2.010183 -0.503459
C -3.340459 0.386580 -0.342884
C -2.052232 0.207413 1.875465
C 3.502685 1.478073 -0.250659
C 1.662240 -2.704326 0.878255
C -3.880344 -1.045328 -0.263802
C 4.879944 1.894358 0.310762
H 1.727077 -0.125853 -1.536829
H 0.728741 1.308488 0.300066
H 0.563953 -0.135143 1.315493
H -0.999608 -1.145452 -0.418532
H -1.792130 1.725685 0.348721
H 3.119449 -0.086323 1.216675
H 3.929818 -0.647806 -0.259817
H 0.762146 -2.307524 -1.066000
H 2.527000 -2.394051 -1.091251
H -3.202443 0.664957 -1.407637
H -1.237370 0.658735 2.467706
H -1.986228 -0.891132 1.989111
H -3.013450 0.538752 2.307086
H 3.505096 1.584422 -1.354992
H 2.730808 2.177695 0.128512
H 0.787470 -2.408029 1.486754
H 2.571869 -2.466002 1.459341
H 1.622331 -3.802918 0.760320
H -4.059995 -1.344229 0.783030
H -3.178749 -1.760071 -0.728462
H -4.840647 -1.104719 -0.803356
H -0.498937 1.286060 -1.850750
H 5.679307 1.233222 -0.074076
H 5.136077 2.932940 0.031214
H 4.894582 1.827831 1.415139
H -4.151391 2.184279 0.141846


