%chk=000080127.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080127

0 1
 O  -0.5345000       1.972900      0.5081000    
 O   0.4260000     -0.5305000       1.589400    
 O   -3.001800       1.094300     -0.1984000    
 O    2.127300      0.6248000      -1.424900    
 O   -3.619000      -1.621400     -0.1864000    
 O    3.933200     -0.9831000     -0.3128000    
 C  -0.6292000      0.7120000     -0.1630000    
 C   0.5731000     -0.1729000      0.2097000    
 C   -2.009400      0.1237000      0.1655000    
 C    1.970300      0.4166000     -2.5500000E-02
 C   -2.336500      -1.155600     -0.5973000    
 C    3.100500     -0.4807000      0.4356000    
 H  -0.5862000      0.9461000      -1.233200    
 H   0.5016000      -1.106700     -0.3601000    
 H   -2.121800     -2.4900001E-02   1.245700    
 H    2.084200       1.374400      0.4940000    
 H   -1.612200      -1.951300     -0.4051000    
 H   -2.386700     -0.9718000      -1.675000    
 H  -0.6251000       1.811400       1.462400    
 H   0.6081000      0.2617000       2.122700    
 H    3.148300     -0.6594000       1.523600    
 H   -3.870800      0.7205000      2.7300000E-02
 H    2.954000       1.120300      -1.555500    
 H   -3.569100      -1.813800      0.7656000    


%chk=000080127-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080127

0 1
O -0.483759 1.868435 0.992765
O 0.781473 -0.194269 1.981421
O -2.889889 1.059900 0.418131
O 1.854484 0.373274 -1.560644
O -3.704533 -1.386284 -0.619154
O 3.982168 -0.875977 -0.493825
C -0.547843 0.686061 0.114028
C 0.671218 -0.170332 0.525512
C -1.896338 -0.027181 0.338902
C 1.972301 0.412758 -0.113180
C -2.292620 -0.980514 -0.800614
C 3.196842 -0.362332 0.347140
H -0.452568 0.992153 -0.945120
H 0.551334 -1.214300 0.185334
H -1.877872 -0.572862 1.308128
H 2.071124 1.464749 0.233531
H -1.621012 -1.859014 -0.854652
H -2.280531 -0.450563 -1.767064
H -1.403958 2.248844 1.014065
H 0.429028 0.697564 2.273188
H 3.345929 -0.457198 1.442925
H -3.780624 0.663128 0.222937
H 2.659943 -0.113550 -1.901196
H -3.759996 -2.095887 0.069846


