%chk=000040541.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040541

0 1
 O  -0.9822000      0.8669000      1.3000000E-03
 O    3.830200      0.4907000     -2.0000001E-03
 O   -4.303400     -0.4260000     -3.4000000E-03
 C   1.1600000E-02  -1.162000      5.0000002E-04
 C   0.2142000      0.2142000      1.0000000E-03
 C   -1.396400      -1.344800      7.9999998E-04
 C   -1.951000     -8.5800000E-02  1.2000001E-03
 C    1.469600      0.8193000      1.1000000E-03
 C    1.135700      -2.006400     -1.9999999E-04
 C    2.573200     -3.8800001E-02  6.9999998E-04
 C    2.411900      -1.426800       0.000000    
 C   -3.307500      0.3444000     -3.0000001E-04
 C   -3.638600       1.842800      6.0000003E-04
 C    3.932700       1.912400     -1.2000001E-03
 H   -1.935100      -2.282400      3.0000001E-04
 H    1.520900       1.899700      1.0000000E-03
 H    1.025800      -3.086600     -7.9999998E-04
 H    3.285900      -2.074100     -1.0000000E-03
 H   -3.221800       2.308700      0.8975000    
 H   -4.723300       1.983900      1.5000000E-03
 H   -3.223000       2.309500     -0.8964000    
 H    3.506600       2.347300      0.9094000    
 H    3.504300       2.348500     -0.9100000    
 H    4.999500       2.159300     -2.3000001E-03


%chk=000040541-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040541

0 1
O -1.043431 0.937022 0.002298
O 3.894347 0.453785 -0.001435
O -4.367643 -0.577255 -0.000466
C -0.011548 -1.142938 0.000146
C 0.191471 0.270449 0.000971
C -1.439244 -1.348524 0.000971
C -2.042555 -0.095840 0.002464
C 1.447925 0.894896 0.000559
C 1.134197 -1.987909 -0.001220
C 2.563641 0.022988 -0.000804
C 2.405424 -1.401063 -0.001690
C -3.458510 0.308676 0.004057
C -3.764244 1.798804 -0.000014
C 4.143145 1.899003 -0.000340
H -1.983485 -2.290582 0.000715
H 1.537738 1.982852 0.001218
H 1.028870 -3.077093 -0.001907
H 3.314681 -2.008844 -0.002745
H -3.319610 2.289267 0.885313
H -4.854374 1.947143 -0.001315
H -3.318365 2.284854 -0.887209
H 3.722387 2.375825 0.905870
H 3.721409 2.377356 -0.905288
H 5.237573 2.001029 -0.000847


