%chk=000040602.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040602

0 1
 O   -1.282300      1.1100000E-02   2.256800    
 O    5.838500     -0.7052000      -1.604700    
 C  -0.9714000      2.6200000E-02  0.8533000    
 C   -1.504300      -1.259400      0.2061000    
 C   -1.635000       1.255500      0.2143000    
 C   -1.215600      -1.494500      -1.116200    
 C  -0.8280000       2.227600     -0.3235000    
 C   -2.247700      -2.120000      0.9766000    
 C   -3.006100       1.328500      0.2094000    
 C   0.5121000      6.7400001E-02  0.7952000    
 C   -1.700300      -2.662700      -1.704700    
 C   -1.430600       3.344100     -0.9033000    
 C   -2.732400      -3.288300      0.3883000    
 C   -3.608800       2.444800     -0.3706000    
 C   -2.458700      -3.559500     -0.9523000    
 C   -2.820900       3.452600     -0.9268000    
 C    1.712600      9.4400004E-02  0.7615000    
 C    3.083200      0.1245000      0.7188000    
 C    5.752500      0.1810000      0.6319000    
 C    6.260500      0.3812000     -0.7893000    
 C    4.282800      0.1507000      0.6791000    
 H  -0.6286000     -0.8053000      -1.715100    
 H   0.2540000       2.198100     -0.3350000    
 H   -2.487100      -1.943100       2.019200    
 H   -3.633900      0.5604000      0.6490000    
 H   -1.309900      0.9280000       2.580500    
 H   -1.487900      -2.873600      -2.748700    
 H  -0.8180000       4.129400      -1.336700    
 H   -3.324300      -3.986400      0.9732000    
 H   -4.691400       2.530900     -0.3865000    
 H   -2.836600      -4.468800      -1.410500    
 H   -3.290200       4.322200      -1.377600    
 H    6.137700     -0.7641000       1.032000    
 H    6.127400      0.9879000       1.270900    
 H    7.353900      0.4271000     -0.8100000    
 H    5.868500       1.305300      -1.226700    
 H    6.213700      -1.518600      -1.226400    


%chk=000040602-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040602

0 1
O -1.380235 0.181493 2.220186
O 6.102081 1.238193 -1.358184
C -1.007861 0.064008 0.775193
C -1.631526 -1.269650 0.296965
C -1.577768 1.282570 0.017741
C -1.817186 -1.504578 -1.086994
C -0.766765 2.159379 -0.739716
C -1.960767 -2.280884 1.229705
C -2.971210 1.533932 0.115887
C 0.463628 -0.033517 0.664648
C -2.334691 -2.739513 -1.534553
C -1.340377 3.275746 -1.393143
C -2.484885 -3.513657 0.779185
C -3.541834 2.646496 -0.534612
C -2.671160 -3.748940 -0.602418
C -2.727061 3.522785 -1.292679
C 1.697847 -0.153602 0.609816
C 3.060889 -0.286145 0.540887
C 5.753913 -0.537984 0.397419
C 6.480796 0.769713 -0.025669
C 4.294475 -0.409393 0.478836
H -1.565009 -0.721674 -1.811167
H 0.309352 1.969833 -0.818854
H -1.816073 -2.085849 2.295292
H -3.594350 0.854108 0.706665
H -0.987732 1.027735 2.558841
H -2.477499 -2.912529 -2.607164
H -0.703402 3.948820 -1.977820
H -2.745042 -4.290352 1.507324
H -4.618466 2.833133 -0.452688
H -3.074859 -4.706806 -0.949784
H -3.170672 4.387538 -1.798944
H 6.018401 -1.348531 -0.314192
H 6.153459 -0.850420 1.384663
H 7.576961 0.601282 0.046578
H 6.200800 1.594197 0.648734
H 6.301229 0.532464 -2.024483


