%chk=000112099.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112099

0 1
 O  -0.5425000       2.369400      -1.281400    
 O   -2.063800      0.2636000     -7.5800002E-02
 O   -2.363700      -1.920900     -0.7647000    
 C    2.158100      0.4992000      0.4768000    
 C    2.322000     -0.9002000     -6.8400003E-02
 C    1.371000     -0.6437000       1.065400    
 C    1.494200       1.535100     -0.3780000    
 C  -0.1095000     -0.7157000      0.8776000    
 C  -2.8200001E-02   1.615700     -0.1750000    
 C  -0.6451000      0.2017000     -0.2236000    
 C    3.598300      -1.595400      0.2865000    
 C    1.853300      -1.282300      -1.425100    
 C  -0.3753000       2.384000       1.106700    
 C   -2.715500     -0.9346000     -0.1318000    
 C   -3.953400     -0.8757000      0.7108000    
 H    2.960200      0.9171000       1.073900    
 H    1.655200     -0.9959000       2.051300    
 H    1.929600       2.513200     -0.1282000    
 H    1.757800       1.417500      -1.434500    
 H  -0.3746000      -1.762500      0.6932000    
 H  -0.5918000     -0.4632000       1.831500    
 H  -0.4765000     -0.2196000      -1.217500    
 H    3.936100      -1.358700       1.302000    
 H    3.474500      -2.682500      0.2285000    
 H    4.401900      -1.304300     -0.3991000    
 H    1.384600     -0.4933000      -2.011000    
 H    2.692500      -1.623000      -2.044800    
 H    1.154800      -2.124500      -1.365200    
 H   2.6100000E-02   1.904000       2.003900    
 H   1.7800000E-02   3.406400       1.061900    
 H   -1.460400       2.483100       1.222000    
 H  -0.3567000       1.875900      -2.098400    
 H   -4.623900     -0.1008000      0.3310000    
 H   -3.683900     -0.6763000       1.751000    
 H   -4.470500      -1.838400      0.6634000    


%chk=000112099-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112099

0 1
O -1.095730 2.051849 -0.989966
O -2.069273 -0.234238 0.596162
O -2.874139 -0.121650 -1.594825
C 2.227296 0.535211 0.242744
C 2.649236 -0.927468 -0.052642
C 1.686795 -0.625636 1.115209
C 1.236603 1.310801 -0.632885
C 0.185009 -0.941060 1.117323
C -0.206645 1.339666 -0.046933
C -0.651881 -0.137849 0.100492
C 4.080208 -1.305033 0.336622
C 2.169771 -1.652580 -1.307486
C -0.287198 2.139174 1.262217
C -3.083883 -0.224102 -0.358525
C -4.441510 -0.336611 0.294129
H 3.006474 1.153609 0.704499
H 2.139590 -0.726855 2.110077
H 1.565367 2.359103 -0.746479
H 1.184244 0.890776 -1.657347
H 0.003305 -2.022079 0.959625
H -0.215372 -0.696946 2.119077
H -0.641377 -0.599450 -0.906475
H 4.411623 -0.763047 1.241677
H 4.162506 -2.389586 0.544423
H 4.788850 -1.061905 -0.478613
H 1.129568 -1.415884 -1.584934
H 2.810182 -1.395169 -2.173027
H 2.229985 -2.748416 -1.163142
H 0.475079 1.808006 1.987781
H -0.119117 3.205448 1.032861
H -1.287138 2.037501 1.716797
H -1.475031 1.405585 -1.646226
H -4.761713 0.665457 0.634217
H -4.403642 -0.995651 1.175510
H -5.175345 -0.706572 -0.437035


