%chk=000012966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012966

0 1
 O   -2.266900     -0.2946000     -0.5509000    
 O    2.373100     -0.1219000     -0.5231000    
 O   -1.326300     -0.9506000       1.447300    
 O    1.319700      -1.572600      0.9227000    
 C   0.1969000       1.647100      7.4699998E-02
 C   3.8100000E-02  0.1419000     -0.2551000    
 C   0.3050000       1.927500       1.577200    
 C  -0.9265000       2.491100     -0.5345000    
 C   -1.239400     -0.4419000      0.3373000    
 C    1.292100     -0.6314000      0.1408000    
 C   -3.537100     -0.7875000     -0.1131000    
 C    3.622400     -0.7674000     -0.2568000    
 C   -4.560500     -0.5504000      -1.203100    
 C    4.709400     -8.9299999E-02  -1.063300    
 H    1.130000       2.003400     -0.3815000    
 H  -3.5100002E-02  8.8999998E-03  -1.344700    
 H    1.130300       1.368200       2.028900    
 H   0.4945000       2.991900       1.754700    
 H  -0.6168000       1.664400       2.106000    
 H  -0.7079000       3.558400     -0.4186000    
 H   -1.889600       2.300600     -5.0400000E-02
 H   -1.031000       2.289000      -1.605600    
 H   -3.460300      -1.860300      9.5799997E-02
 H   -3.838500     -0.2596000      0.7985000    
 H    3.852100     -0.6909000      0.8119000    
 H    3.555400      -1.823700     -0.5403000    
 H   -5.545900     -0.9154000     -0.9006000    
 H   -4.634500      0.5170000      -1.436000    
 H   -4.263600      -1.057300      -2.127200    
 H    5.680700     -0.5584000     -0.8829000    
 H    4.484600     -0.1416000      -2.133700    
 H    4.775700      0.9724000     -0.8040000    


%chk=000012966-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012966

0 1
O -2.092626 -0.442988 -0.692991
O 1.975646 -0.069510 -0.724410
O -2.177584 0.808433 1.266212
O 0.654687 -1.253295 0.787425
C 0.360149 2.205419 0.436711
C -0.164205 0.878029 -0.215247
C 0.623306 2.076436 1.955622
C -0.591809 3.384117 0.124847
C -1.562201 0.446812 0.239996
C 0.816560 -0.275645 0.024744
C -3.419993 -1.043553 -0.350296
C 3.057060 -1.092234 -0.556821
C -3.783705 -1.987543 -1.491060
C 4.228421 -0.638777 -1.421282
H 1.327918 2.402702 -0.066578
H -0.209164 1.032323 -1.309988
H 1.345967 1.270538 2.181461
H 1.042638 3.022795 2.343844
H -0.312065 1.858796 2.496873
H -0.145548 4.332513 0.476005
H -1.560948 3.255313 0.637376
H -0.779176 3.480934 -0.961613
H -3.317462 -1.564987 0.618217
H -4.149536 -0.222703 -0.226581
H 3.315426 -1.150525 0.515966
H 2.652966 -2.072648 -0.867310
H -4.759067 -2.464906 -1.284682
H -3.859602 -1.441758 -2.447165
H -3.024947 -2.780823 -1.601276
H 5.057298 -1.365144 -1.337510
H 3.932752 -0.570151 -2.482034
H 4.598943 0.349028 -1.098056


