%chk=000040323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040323

0 1
 O    1.700200       2.404900     -4.8900001E-02
 O    4.142100      -1.819000      0.2562000    
 O   -4.981100     -0.6550000     -0.1701000    
 C    1.861100       1.025500     -0.4043000    
 C   0.7759000       1.476700      0.5162000    
 C    3.085200      0.3916000      0.1367000    
 C  -0.6268000       1.634200      1.5799999E-02
 C    2.932300      -1.081200      0.3982000    
 C   -1.381400      0.3053000      1.5400000E-02
 C    3.108000      -2.066500     -0.7051000    
 C   -2.825500      0.4812000     -0.4531000    
 C   -3.583900     -0.8097000     -0.4133000    
 C   -4.206200      -1.288000      0.8563000    
 H    1.619700      0.7269000      -1.415000    
 H   0.8427000       1.262500       1.573800    
 H    3.387800      0.8701000       1.076700    
 H    3.906300      0.5677000     -0.5697000    
 H  -0.6290000       2.054700     -0.9977000    
 H   -1.145300       2.355400      0.6588000    
 H    2.275000      -1.320400       1.222100    
 H  -0.8670000     -0.4169000     -0.6311000    
 H   -1.368200     -0.1249000       1.025000    
 H    2.579800      -3.008700     -0.6381000    
 H    3.264200      -1.704800      -1.713100    
 H   -3.322800       1.234600      0.1709000    
 H   -2.837300      0.8634000      -1.480600    
 H   -3.266500      -1.533000      -1.151100    
 H   -4.334600      -2.353900      0.9925000    
 H   -4.033500     -0.7314000       1.768200    


%chk=000040323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040323

0 1
O 1.763759 2.499474 0.038816
O 4.293240 -1.957328 0.335184
O -5.206352 -0.749429 -0.357522
C 1.945614 1.046426 -0.345376
C 0.764541 1.450871 0.488533
C 3.160761 0.349698 0.245772
C -0.635741 1.565620 -0.081215
C 3.017242 -1.162556 0.178685
C -1.461192 0.273153 0.132624
C 3.548902 -1.956055 -0.977980
C -2.904139 0.405268 -0.411904
C -3.703382 -0.870094 -0.222284
C -4.579840 -1.083354 0.975456
H 1.762016 0.866527 -1.415667
H 0.828455 1.250114 1.569892
H 3.289866 0.669482 1.296622
H 4.074108 0.654269 -0.298746
H -0.569917 1.800974 -1.161101
H -1.153793 2.420236 0.397626
H 2.177626 -1.589300 0.746598
H -0.951463 -0.577182 -0.365440
H -1.498598 0.028706 1.213853
H 3.083443 -2.912478 -1.246344
H 4.062501 -1.429098 -1.792986
H -3.426846 1.237940 0.097030
H -2.875120 0.660282 -1.489741
H -3.303713 -1.764520 -0.723615
H -4.777084 -2.100010 1.337614
H -4.653695 -0.286335 1.727215


