%chk=000022395.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022395

0 1
 O    1.068700      0.4658000      0.8256000    
 O    4.382300     -0.4110000     -0.1947000    
 O    3.405000       1.643200      0.1971000    
 C   -2.509800      0.5780000      5.5000000E-03
 C   -2.812800     -0.8042000     -1.4800000E-02
 C   -1.197400      0.9892000      0.2899000    
 C  -0.1983000      5.1100001E-02  0.5510000    
 C   -1.794500      -1.734500      0.2498000    
 C  -0.4963000      -1.308200      0.5309000    
 C   -3.527900       1.508200     -0.2591000    
 C   -4.125100      -1.215600     -0.2991000    
 C   -4.826500       1.081700     -0.5395000    
 C   -5.124500     -0.2775000     -0.5592000    
 C    2.133400     -0.4055000      0.4472000    
 C    3.354700      0.4219000      0.1440000    
 C    5.619600      0.2349000     -0.5117000    
 C    6.649300     -0.8176000     -0.8631000    
 H  -0.9475000       2.048600      0.3094000    
 H   -2.006700      -2.801700      0.2450000    
 H   0.2461000      -2.068700      0.7547000    
 H   -3.317800       2.575700     -0.2490000    
 H   -4.380800      -2.273000     -0.3201000    
 H   -5.604900       1.811500     -0.7424000    
 H   -6.135600     -0.6088000     -0.7775000    
 H    2.359900      -1.078500       1.280400    
 H    1.896700     -0.9609000     -0.4687000    
 H    5.472400      0.9079000      -1.363800    
 H    5.961800      0.8132000      0.3538000    
 H    7.609800     -0.3575000      -1.111500    
 H    6.794300      -1.509300     -2.6799999E-02
 H    6.312900      -1.416200      -1.716000    


%chk=000022395-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022395

0 1
O 1.057577 0.622329 -0.143445
O 4.529893 -0.384469 -0.192231
O 3.577846 1.732205 -0.478127
C -2.643369 0.592681 -0.029026
C -2.943808 -0.827638 -0.039797
C -1.281947 1.020351 -0.066377
C -0.244130 0.082986 -0.112335
C -1.855819 -1.755554 -0.086611
C -0.527724 -1.322256 -0.121921
C -3.732819 1.528304 0.018085
C -4.313035 -1.253957 -0.002936
C -5.054980 1.082233 0.053076
C -5.350272 -0.320405 0.042598
C 2.168787 -0.308550 -0.231183
C 3.458331 0.505514 -0.313248
C 5.898104 0.219606 -0.297853
C 6.896757 -0.920659 -0.136250
H -1.031033 2.085934 -0.060837
H -2.073983 -2.830043 -0.093702
H 0.278867 -2.060788 -0.153840
H -3.510034 2.601729 0.026008
H -4.534573 -2.328153 -0.011255
H -5.876995 1.805780 0.088985
H -6.393221 -0.654258 0.070532
H 2.221815 -0.974616 0.652943
H 2.097880 -0.943394 -1.139043
H 5.978131 0.720351 -1.279474
H 5.995886 0.986234 0.491442
H 7.926810 -0.526399 -0.205450
H 6.778997 -1.412938 0.844119
H 6.762559 -1.679961 -0.925547


