%chk=000125469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125469

0 1
 O   -2.825700      0.5692000     -0.5139000    
 O   -1.364100       2.804900     -6.1900001E-02
 O   -3.106500       1.611000       1.563500    
 O    5.957100      0.3954000     -0.6337000    
 O    5.317100      0.2573000       1.540300    
 C  -0.8795000     -0.8429000     -0.1617000    
 C   0.5009000     -0.9208000      0.1405000    
 C   -1.600600      -2.026300     -0.3891000    
 C    1.222100      0.2626000      0.3679000    
 C   -1.498000      0.4163000     -0.2275000    
 C   -3.062500      -2.064400     -0.7150000    
 C    1.119500      -2.179900      0.2063000    
 C  -0.7661000       1.581800      1.3000000E-03
 C  -0.9699000      -3.268700     -0.3195000    
 C   0.5913000       1.505100      0.2984000    
 C   0.3876000      -3.345400     -2.2399999E-02
 C    2.648300      0.2739000      0.6866000    
 C   -3.927200      -2.156700      0.5365000    
 C    3.654200      0.3436000     -0.2116000    
 C    3.491600      0.4664000      -1.699700    
 C   -3.555700       1.207200      0.4992000    
 C   -1.373100       3.456400      -1.330200    
 C    5.033400      0.3272000      0.3542000    
 C   -4.994200       1.326700      9.1200002E-02
 H   -3.388300      -1.288300      -1.409600    
 H   -3.263300      -2.972700      -1.303300    
 H    2.176000      -2.290300      0.4380000    
 H   -1.519600      -4.191100     -0.4892000    
 H    1.149800       2.422200      0.4764000    
 H   0.8775000      -4.313200      3.3300001E-02
 H    2.853000      0.1994000       1.752600    
 H   -3.750200      -3.103000       1.060300    
 H   -4.987400      -2.123400      0.2669000    
 H   -3.724600      -1.354700       1.250100    
 H    3.956300       1.390100      -2.060600    
 H    3.960900     -0.3839000      -2.205800    
 H    2.443900      0.4890000      -2.013200    
 H   -1.899100       4.408900      -1.222000    
 H   -1.899400       2.849100      -2.073400    
 H  -0.3505000       3.657000      -1.665000    
 H   -5.084700       2.056500     -0.7169000    
 H   -5.585500       1.666100      0.9463000    
 H   -5.379700      0.3558000     -0.2271000    
 H    6.872700      0.3837000     -0.2819000    


%chk=000125469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125469

0 1
O -2.867732 0.604862 -0.501324
O -1.133477 2.735919 -0.456721
O -3.044881 1.391833 1.710545
O 6.199200 0.955905 -0.161672
O 5.395296 -0.692498 1.257923
C -0.984292 -1.033262 -0.227354
C 0.461058 -1.185239 -0.057594
C -1.815762 -2.223330 -0.293452
C 1.332038 -0.021268 -0.003563
C -1.478307 0.315397 -0.341033
C -3.335154 -2.220170 -0.448866
C 1.019687 -2.501070 0.026137
C -0.616900 1.423961 -0.349621
C -1.198653 -3.479909 -0.190624
C 0.776555 1.257516 -0.169210
C 0.205734 -3.630521 -0.030074
C 2.763599 -0.179584 0.303331
C -4.068516 -2.173796 0.920049
C 3.826521 0.546177 -0.184971
C 3.770189 1.618058 -1.252796
C -3.543078 1.261246 0.583869
C -1.518429 3.118669 -1.833412
C 5.156337 0.184209 0.387046
C -4.905876 1.709021 0.114991
H -3.670375 -1.381147 -1.077074
H -3.627851 -3.152594 -0.968209
H 2.103267 -2.621003 0.111001
H -1.828476 -4.375923 -0.249123
H 1.389713 2.158472 -0.092742
H 0.644343 -4.631951 0.033116
H 3.027966 -0.960719 1.030069
H -3.810402 -3.058158 1.530690
H -5.165184 -2.166476 0.776542
H -3.787046 -1.279924 1.503124
H 3.818899 2.632277 -0.811573
H 4.636092 1.531502 -1.929259
H 2.841447 1.543783 -1.841987
H -1.921387 4.139720 -1.753107
H -2.288029 2.432196 -2.233835
H -0.633385 3.115611 -2.498565
H -4.795045 2.551386 -0.591215
H -5.505800 2.036303 0.976170
H -5.419598 0.892829 -0.420124
H 7.053495 0.668790 0.260098


