%chk=000022971.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022971

0 1
 O   -2.005200      -1.825200      8.4500000E-02
 O    3.610600      0.9253000      0.5474000    
 O   -4.222800      -1.274400      9.2699997E-02
 O    4.316000     -0.9803000     -0.5345000    
 O   -3.446000       2.695400      0.4573000    
 C  -0.3313000     -6.4199999E-02 -3.0000000E-03
 C  -0.6580000      -1.415400      5.2200001E-02
 C    1.016300      0.3029000     -3.3700000E-02
 C    2.009700     -0.6803000     -8.9999996E-03
 C   -1.403600      0.9186000     -2.6699999E-02
 C   -2.681800      0.5234000      4.3000001E-03
 C   0.3211000      -2.406600      7.7100001E-02
 C    1.662400      -2.032100      4.6300001E-02
 C   -3.052600     -0.9084000      6.3100003E-02
 C    3.411700     -0.2945000     -3.9500002E-02
 C   -3.691700       1.588100     -2.2800000E-02
 C    4.955000       1.416700      0.5784000    
 C   -5.022300       1.283700     -0.6603000    
 C    5.212700       2.227200     -0.6740000    
 H    1.277700       1.357400     -8.9800000E-02
 H   -1.116100       1.964300     -7.7600002E-02
 H   4.9300000E-02  -3.456700      0.1209000    
 H    2.427000      -2.804200      6.9100000E-02
 H    5.045800       2.057200       1.461600    
 H    5.681400      0.6041000      0.6902000    
 H   -4.905300      0.6232000      -1.523600    
 H   -5.456800       2.218500      -1.029200    
 H   -5.700600      0.8476000      7.6800004E-02
 H    6.215600       2.662900     -0.6552000    
 H    5.119000       1.605100      -1.570000    
 H    4.479200       3.034700     -0.7693000    


%chk=000022971-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022971

0 1
O -1.983975 -1.826912 -0.311005
O 3.614943 1.177518 0.425615
O -4.244394 -1.448632 -0.447437
O 4.394292 -1.018307 0.244756
O -3.512179 2.800240 -0.004561
C -0.379016 0.002149 -0.022242
C -0.674272 -1.389688 -0.171606
C 0.978900 0.400588 0.118931
C 2.004139 -0.563106 0.110404
C -1.481224 0.923959 -0.022271
C -2.802472 0.517911 -0.159176
C 0.348400 -2.364179 -0.183085
C 1.679896 -1.945772 -0.042865
C -3.133956 -0.907182 -0.314385
C 3.443990 -0.196573 0.259831
C -3.872908 1.593475 -0.141581
C 5.023259 1.663128 0.569759
C -5.333924 1.223047 -0.284430
C 5.655261 1.911420 -0.802287
H 1.230776 1.458539 0.237210
H -1.303972 2.001281 0.089307
H 0.082031 -3.417822 -0.299842
H 2.500306 -2.670634 -0.046573
H 4.916225 2.592041 1.152085
H 5.593151 0.913255 1.145723
H -5.515700 0.688990 -1.234514
H -5.938506 2.141496 -0.240697
H -5.645207 0.519822 0.508723
H 6.660426 2.353304 -0.671068
H 5.766120 0.967521 -1.361550
H 5.045988 2.613122 -1.397468


