%chk=000023827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023827

0 1
 O   -2.766200     -0.8822000     -6.1200000E-02
 O   -2.747600       1.417600     -0.1579000    
 C    2.064500     -4.5400001E-02  0.2823000    
 C    3.545000     -0.1801000      0.4035000    
 C    1.485100       1.219600      0.1820000    
 C    1.259100      -1.184400      0.2686000    
 C  -0.7045000      0.2069000      5.4200001E-02
 C   0.1007000       1.345800      6.8000004E-02
 C  -0.1254000      -1.058100      0.1546000    
 C    4.230700     -0.2930000     -0.9556000    
 C   -2.148000      0.3383000     -6.4400002E-02
 C   -4.193400     -0.8850000     -0.1742000    
 H    3.955700      0.6792000      0.9481000    
 H    3.792400      -1.060300       1.010100    
 H    2.101900       2.114400      0.1895000    
 H    1.698900      -2.175400      0.3442000    
 H  -0.3302000       2.340600     -9.4999997E-03
 H  -0.7124000      -1.972200      0.1477000    
 H    3.874200      -1.169300      -1.507500    
 H    5.313200     -0.3901000     -0.8255000    
 H    4.039800      0.5931000      -1.570400    
 H   -4.534300      -1.923400     -0.1569000    
 H   -4.497400     -0.4295000      -1.121200    
 H   -4.639400     -0.3531000      0.6714000    


%chk=000023827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023827

0 1
O -2.852297 -0.923903 -0.067478
O -2.795232 1.402967 -0.174129
C 2.121674 -0.051246 0.326908
C 3.635990 -0.162328 0.413325
C 1.489910 1.215677 0.208240
C 1.306240 -1.214319 0.317259
C -0.711270 0.149502 0.068393
C 0.091917 1.319617 0.080268
C -0.093586 -1.122382 0.189116
C 4.293348 -0.273431 -0.990243
C -2.184728 0.309291 -0.067562
C -4.323995 -0.845391 -0.202670
H 4.049833 0.721701 0.934500
H 3.914757 -1.050139 1.012104
H 2.103105 2.124957 0.220860
H 1.777623 -2.199921 0.415528
H -0.401725 2.293129 -0.008310
H -0.718169 -2.019954 0.184943
H 3.922789 -1.163636 -1.529567
H 5.392123 -0.354485 -0.902898
H 4.060311 0.613730 -1.606203
H -4.664122 -1.890238 -0.182363
H -4.596128 -0.355975 -1.153190
H -4.755970 -0.269224 0.633070


