%chk=000074652.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074652

0 1
 O    1.852300      0.6332000      0.5498000    
 O    4.292400      -1.813600     -0.4141000    
 O    4.491900      0.4326000     -9.4499998E-02
 C   -2.731700     -0.9655000     -7.4999998E-03
 C   -1.697400      0.1723000     -1.2000000E-02
 C   -3.384200      -1.079800      -1.402200    
 C   -3.825000     -0.6700000       1.042000    
 C   -2.135800      -2.350600      0.3323000    
 C  -0.3908000     -0.1342000      0.2739000    
 C   -2.128700       1.442400     -0.3016000    
 C   0.5472000      0.8982000      0.2696000    
 C   -1.190700       2.474700     -0.3057000    
 C   0.1472000       2.202700     -2.0000000E-02
 C    2.342000     -0.6605000      0.1998000    
 C    3.811200     -0.5819000     -0.1099000    
 H   -2.629200      -1.254200      -2.178000    
 H   -4.096000      -1.913000      -1.437600    
 H   -3.938800     -0.1767000      -1.679700    
 H   -4.389300      0.2406000      0.8132000    
 H   -4.551900      -1.489000       1.095500    
 H   -3.389900     -0.5456000       2.040900    
 H   -2.915800      -3.122300      0.3157000    
 H   -1.376000      -2.661600     -0.3945000    
 H   -1.697300      -2.375200       1.336900    
 H  -7.2800003E-02  -1.133900      0.5336000    
 H   -3.163200       1.677600     -0.5268000    
 H   -1.501800       3.490600     -0.5313000    
 H   0.8733000       3.011000     -2.4599999E-02
 H    2.200100      -1.337700       1.048600    
 H    1.856600      -1.044400     -0.7062000    
 H    5.251200      -1.791300     -0.6204000    


%chk=000074652-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000074652

0 1
O 1.972036 0.740356 -0.073891
O 4.470342 -1.870800 0.241371
O 4.732633 0.435766 0.028381
C -2.817448 -1.007490 -0.017566
C -1.760139 0.121863 -0.091966
C -3.676655 -0.992218 -1.318123
C -3.742296 -0.766184 1.213848
C -2.182087 -2.414492 0.125041
C -0.367070 -0.146065 -0.041542
C -2.179681 1.472327 -0.219018
C 0.570165 0.913322 -0.116797
C -1.236362 2.521367 -0.294303
C 0.145430 2.254063 -0.244497
C 2.469663 -0.612559 0.069611
C 3.990188 -0.555766 0.103547
H -3.045327 -1.166622 -2.208612
H -4.446043 -1.786115 -1.276261
H -4.192432 -0.025258 -1.453971
H -4.257606 0.208587 1.151827
H -4.514777 -1.556120 1.272080
H -3.159311 -0.780491 2.152953
H -2.981282 -3.176431 0.174028
H -1.537571 -2.664401 -0.738401
H -1.581892 -2.502497 1.049926
H -0.023002 -1.178535 0.054765
H -3.247662 1.712296 -0.260820
H -1.579899 3.557070 -0.392874
H 0.895995 3.047577 -0.300848
H 2.114809 -1.087706 1.007771
H 2.161378 -1.260743 -0.776957
H 5.465002 -1.859201 0.266500


