%chk=000047803.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047803

0 1
 O    3.256000      0.6134000      0.3986000    
 O    2.406200      -1.391200     -0.2764000    
 C   -1.222200      0.3267000     -0.1782000    
 C  -0.2422000     -0.2036000      0.8889000    
 C  -2.0800000E-02  0.3802000      -1.144600    
 C   0.8788000      0.5076000      0.1025000    
 C   -2.303200     -0.6554000     -0.5782000    
 C   -1.814100       1.678000      0.1454000    
 C    2.249700     -0.2219000      4.2300001E-02
 C   -3.188100      -1.033800      0.5998000    
 H  -0.1396000      -1.295500      0.9212000    
 H  -0.3968000      0.1572000       1.910400    
 H   7.7999998E-03   1.232300      -1.830900    
 H   0.1458000     -0.5340000      -1.727700    
 H    1.002500       1.554000      0.4175000    
 H   -1.856100      -1.578000     -0.9698000    
 H   -2.920600     -0.2481000      -1.387900    
 H   -2.447600       1.644900       1.037800    
 H   -1.051200       2.440100      0.3380000    
 H   -2.425300       2.051000     -0.6845000    
 H   -2.608900      -1.449200       1.430000    
 H   -3.753900     -0.1768000      0.9762000    
 H   -3.914300      -1.792400      0.2892000    
 H    4.129600      0.1682000      0.3685000    


%chk=000047803-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047803

0 1
O 3.379626 0.441981 0.235304
O 2.238325 -1.514751 -0.271483
C -1.231671 0.365286 -0.133945
C -0.202926 -0.036260 0.993730
C -0.004858 0.547013 -1.108718
C 0.970028 0.559537 0.130225
C -2.229921 -0.738402 -0.549152
C -1.929633 1.708352 0.163177
C 2.203389 -0.293148 0.006357
C -3.254119 -1.118129 0.544154
H -0.105990 -1.131832 1.091066
H -0.343708 0.414773 1.990094
H 0.007488 1.451710 -1.739378
H 0.159225 -0.346969 -1.735555
H 1.252704 1.578071 0.435543
H -1.651866 -1.642170 -0.829305
H -2.766676 -0.412864 -1.464783
H -2.627895 1.620725 1.015689
H -1.194411 2.495344 0.416424
H -2.505401 2.055410 -0.716266
H -2.742856 -1.412936 1.480171
H -3.936038 -0.281234 0.780294
H -3.876125 -1.972449 0.220150
H 4.164807 -0.163355 0.134308


