%chk=000100478.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100478

0 1
 O    4.881700     -0.2583000      0.2407000    
 O   -3.794400      0.2403000     -0.6744000    
 O   -2.424700      -1.745000      0.5054000    
 O   -3.202000       2.033600      0.6466000    
 O  -0.4205000      -1.630900     -0.6382000    
 C   0.8885000      0.8114000      0.1517000    
 C    1.503200      0.5718000       1.371700    
 C    1.590600      0.6985000      -1.039300    
 C  -0.5313000       1.191400      0.1191000    
 C    3.567600      9.3900003E-02  0.2109000    
 C    2.850300      0.2111000       1.401500    
 C    2.937700      0.3378000      -1.009600    
 C   -1.584900      0.3575000      3.7000000E-02
 C   -2.934200      0.9921000      6.5399997E-02
 C   -1.381500      -1.109600     -9.3199998E-02
 C    5.555500     -0.3599000      -1.013000    
 C   -5.133000      0.7393000     -0.7640000    
 C   -2.368400      -3.174800      0.4816000    
 H   0.9553000      0.6596000       2.306400    
 H    1.110500      0.8865000      -1.996300    
 H  -0.6861000       2.266300      0.1973000    
 H    3.335500      2.2299999E-02   2.355300    
 H    3.434900      0.2651000      -1.970800    
 H    6.590200     -0.6490000     -0.8014000    
 H    5.592400      0.6053000      -1.529300    
 H    5.124600      -1.149100      -1.638500    
 H   -5.586200      0.7872000      0.2307000    
 H   -5.712800      4.7600001E-02  -1.381000    
 H   -5.138900       1.724400      -1.240100    
 H   -1.478200      -3.527600       1.011100    
 H   -2.373100      -3.536500     -0.5511000    
 H   -3.255800      -3.558500      0.9919000    


%chk=000100478-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100478

0 1
O 5.137034 0.395609 0.330622
O -3.987788 0.289430 -0.489317
O -2.360622 -1.993604 0.028977
O -3.177539 1.865959 1.023312
O -1.025995 -1.373482 -1.768686
C 0.903556 0.744865 0.283638
C 1.742275 1.539321 1.132319
C 1.542111 -0.176175 -0.600165
C -0.535306 0.977851 0.382360
C 3.744305 0.459350 0.261048
C 3.134496 1.397494 1.135394
C 2.941840 -0.319788 -0.613862
C -1.644738 0.268303 -0.031747
C -2.970725 0.888794 0.259185
C -1.627884 -1.065634 -0.708606
C 5.828096 -0.550331 -0.554103
C -5.342149 0.849100 -0.282564
C -2.480349 -3.341058 -0.576113
H 1.277430 2.267613 1.807708
H 0.940182 -0.752228 -1.307447
H -0.806464 1.891769 0.934857
H 3.772004 1.996992 1.791528
H 3.396442 -1.025405 -1.315545
H 6.895830 -0.429576 -0.321622
H 5.646757 -0.307660 -1.618456
H 5.514879 -1.591626 -0.348555
H -5.653777 0.715349 0.767165
H -5.988204 0.277595 -0.963539
H -5.354809 1.924451 -0.528379
H -1.481909 -3.787222 -0.720700
H -2.992653 -3.273576 -1.550610
H -3.073827 -3.918681 0.146002


