%chk=000029865.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029865

0 1
 O    4.321600      -1.253000      0.4077000    
 O    2.966000      -1.249700      -1.420200    
 C   -1.946100      0.5524000     -0.6633000    
 C   -1.150500       1.759300     -0.1124000    
 C   0.1781000       1.435300      0.6047000    
 C   -2.328100     -0.4384000      0.4559000    
 C    1.127700      0.5244000     -0.1996000    
 C   -3.182500       1.076400      -1.405800    
 C   0.8717000       2.740600       1.014200    
 C   -3.062900      -1.684400     -4.7499999E-02
 C    2.371400      5.1500000E-02  0.5564000    
 C   -3.382000      -2.638700       1.094100    
 C    3.215600     -0.8757000     -0.2842000    
 H   -1.332600      2.9600000E-02  -1.406100    
 H   -1.792900       2.325800      0.5752000    
 H  -0.9294000       2.435200     -0.9499000    
 H  -7.0600003E-02  0.9128000       1.537300    
 H   -2.949900      7.4500002E-02   1.200700    
 H   -1.424200     -0.7721000      0.9776000    
 H    1.431800       1.040800      -1.119500    
 H   0.5881000     -0.3732000     -0.5211000    
 H   -3.899300       1.529300     -0.7126000    
 H   -3.691100      0.2761000      -1.951500    
 H   -2.901100       1.835100      -2.144300    
 H    1.718900       2.553200       1.680400    
 H   0.1790000       3.395900       1.553500    
 H    1.238100       3.285000      0.1375000    
 H   -4.004700      -1.407300     -0.5317000    
 H   -2.449100      -2.202400     -0.7931000    
 H    2.072100     -0.4827000       1.464500    
 H    2.997000      0.9070000      0.8297000    
 H   -2.466600      -2.976800       1.590300    
 H   -4.020800      -2.157000       1.841200    
 H   -3.907900      -3.520500      0.7148000    
 H    4.890600      -1.858000     -0.1143000    


%chk=000029865-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029865

0 1
O 4.528733 -1.074526 0.345956
O 2.945163 -1.514804 -1.291564
C -1.958249 0.536979 -0.691216
C -1.113671 1.725498 -0.150022
C 0.189026 1.384145 0.627175
C -2.391822 -0.427441 0.445865
C 1.159610 0.539516 -0.238677
C -3.176314 1.089503 -1.471350
C 0.847861 2.693717 1.127204
C -3.192570 -1.666387 -0.020288
C 2.452514 0.137210 0.498038
C -3.446389 -2.672398 1.123491
C 3.275420 -0.883389 -0.264054
H -1.337393 -0.041869 -1.407546
H -1.763426 2.335753 0.513761
H -0.843947 2.382230 -1.005308
H -0.082195 0.781991 1.521234
H -2.991809 0.140192 1.190001
H -1.491077 -0.787140 0.983991
H 1.418723 1.106880 -1.155465
H 0.656795 -0.383271 -0.581153
H -3.867328 1.625241 -0.790784
H -3.746444 0.284881 -1.968302
H -2.853349 1.803214 -2.252737
H 1.713522 2.502216 1.787276
H 0.123811 3.301911 1.700924
H 1.199415 3.306928 0.274354
H -4.163792 -1.351302 -0.448733
H -2.638031 -2.170254 -0.838991
H 2.215581 -0.305653 1.487692
H 3.102626 1.005572 0.708861
H -2.492723 -3.044275 1.543762
H -4.014466 -2.201193 1.948127
H -4.024653 -3.546927 0.772266
H 5.036248 -1.762449 -0.165186


