%chk=000042436.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042436

0 1
 O   0.2637000       2.241300     -3.6100000E-02
 O   -1.653000      -2.199800      0.2798000    
 O    4.005100      0.1860000     -0.6350000    
 C  -0.6251000     -2.2600001E-02  0.1127000    
 C    1.741900      0.2349000     -1.6400000E-02
 C  -0.7845000       1.363700      1.7400000E-02
 C    1.580500       1.704500     -0.2405000    
 C   0.7126000     -0.5974000      0.1554000    
 C   -1.757400     -0.8426000      0.1857000    
 C   -2.064300       1.924300      3.5999999E-03
 C   -3.034700     -0.2804000      0.1629000    
 C    3.092000     -0.3305000      1.4100000E-02
 C   -3.187900       1.101800      7.2899997E-02
 C    3.331400      -1.551700      0.8663000    
 C   -1.620500      -2.931500     -0.9429000    
 H    2.244900       2.253300      0.4366000    
 H    1.877000       1.957000      -1.265200    
 H   0.8202000      -1.664400      0.3025000    
 H   -2.192900       3.001500     -6.2300000E-02
 H   -3.915800     -0.9141000      0.2190000    
 H   -4.182200       1.538500      5.9000000E-02
 H    2.768700      -1.498800       1.802500    
 H    4.392800      -1.593700       1.131300    
 H    3.072400      -2.455400      0.3090000    
 H   -1.466600      -3.987700     -0.7056000    
 H  -0.7984000      -2.594200      -1.582000    
 H   -2.572400      -2.828000      -1.473200    


%chk=000042436-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042436

0 1
O 0.310131 2.273803 0.301068
O -1.256568 -2.240476 -0.472400
O 4.245038 0.844723 0.560195
C -0.473374 -0.017264 -0.109533
C 1.933934 0.367670 0.208395
C -0.727186 1.383150 0.023681
C 1.685084 1.838238 -0.082474
C 0.873416 -0.506566 0.128426
C -1.585250 -0.884806 -0.345218
C -2.037797 1.903639 -0.030989
C -2.899855 -0.374252 -0.430181
C 3.324500 -0.036052 0.515304
C -3.108234 1.017084 -0.263309
C 3.642871 -1.508425 0.769772
C -2.352092 -3.193312 -0.678210
H 2.367940 2.480354 0.492193
H 1.816745 2.057729 -1.162406
H 1.004169 -1.582673 0.274850
H -2.193889 2.977488 0.098980
H -3.752673 -1.030906 -0.618949
H -4.127540 1.413595 -0.324950
H 3.104345 -1.882336 1.659996
H 4.725947 -1.611540 0.936533
H 3.348184 -2.138656 -0.089270
H -1.867967 -4.179146 -0.731431
H -2.885947 -2.987068 -1.625361
H -3.066431 -3.169997 0.166790


