%chk=000089772.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089772

0 1
 O    1.514800      0.1148000      0.7530000    
 O    2.191700      3.9600000E-02  -1.468100    
 C  -0.6822000     -0.6917000      0.2275000    
 C   -2.011000     -0.4216000     -9.9799998E-02
 C   0.2130000      0.3585000      0.4319000    
 C   -2.444600      0.8986000     -0.2227000    
 C  -0.2124000      -2.104900      0.3613000    
 C  -0.2208000       1.678600      0.3089000    
 C   -2.989700      -1.527600     -0.3228000    
 C   -1.549500       1.948600     -1.8300001E-02
 C    2.416500     -1.5600000E-02 -0.2660000    
 C    3.774200     -0.2773000      0.3151000    
 H   -3.476600       1.126700     -0.4756000    
 H  -7.1900003E-02  -2.549500     -0.6293000    
 H   0.7345000      -2.185800      0.9044000    
 H  -0.9283000      -2.709900      0.9275000    
 H   0.4706000       2.501800      0.4674000    
 H   -2.608700      -2.245600      -1.056400    
 H   -3.204200      -2.044700      0.6179000    
 H   -3.941400      -1.151500     -0.7147000    
 H   -1.887200       2.976500     -0.1134000    
 H    4.055000      0.5387000      0.9859000    
 H    4.510400     -0.3288000     -0.4923000    
 H    3.770900      -1.231200      0.8485000    


%chk=000089772-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089772

0 1
O 1.559550 0.273585 0.715320
O 2.124207 -0.529633 -1.418464
C -0.676149 -0.657096 0.181160
C -2.053126 -0.397697 -0.100313
C 0.172591 0.460720 0.369853
C -2.515654 0.940691 -0.162348
C -0.131171 -2.069173 0.266234
C -0.280738 1.792036 0.318524
C -3.026258 -1.541776 -0.331115
C -1.643594 2.031326 0.050427
C 2.460326 -0.225560 -0.258811
C 3.844966 -0.316264 0.343127
H -3.573986 1.127616 -0.378544
H 0.223866 -2.410125 -0.724999
H 0.726702 -2.123225 0.958757
H -0.897650 -2.780819 0.615102
H 0.427634 2.608956 0.485590
H -2.684864 -2.212086 -1.141737
H -3.145384 -2.166785 0.575098
H -4.023854 -1.159685 -0.605879
H -2.020717 3.058328 0.003015
H 4.164702 0.674338 0.709507
H 4.554906 -0.683493 -0.411472
H 3.836793 -0.997482 1.211868


