%chk=000051545.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051545

0 1
 O   -2.806200       2.062700     -0.6120000    
 O   -4.003100     -2.8899999E-02  -1.809800    
 O   -3.644000      -1.470600       1.520700    
 C   -3.670900       1.259400      0.1983000    
 C   -2.211700       1.445100      0.5397000    
 C   -4.111100     -4.7699999E-02 -0.3869000    
 C   -1.254800      0.2989000      0.2867000    
 C   -3.288700      -1.225400      0.1617000    
 C   -1.791300     -0.9963000      0.1115000    
 C   0.1593000      0.4823000      0.2175000    
 C  -0.9408000      -2.080800     -8.5400000E-02
 C    1.034100     -0.6213000      5.2000000E-03
 C   0.4386000      -1.893700     -0.1367000    
 C   0.7271000       1.759700      0.3549000    
 C    2.460600     -0.4129000     -5.5900000E-02
 C    2.975700      0.8986000      9.2699997E-02
 C    2.102700       1.965100      0.2947000    
 C    3.414600      -1.443900     -0.2594000    
 C    4.359500       1.140600      3.7900001E-02
 C    4.788700      -1.192300     -0.3122000    
 C    5.261600      0.1014000     -0.1634000    
 H   -4.418800       1.754100      0.8016000    
 H   -2.013700       2.079000       1.399000    
 H   -5.171000     -0.1903000     -0.1452000    
 H   -3.529800      -2.128000     -0.4141000    
 H   -1.342700      -3.083800     -0.2049000    
 H   -4.351700     -0.8737000      -2.142200    
 H    1.040200      -2.784600     -0.2971000    
 H   0.1036000       2.637800      0.5104000    
 H   -4.596300      -1.666100       1.544100    
 H    2.480000       2.979800      0.4086000    
 H    3.106800      -2.478900     -0.3830000    
 H    4.749500       2.150600      0.1526000    
 H    5.483800      -2.011900     -0.4700000    
 H    6.327600      0.3033000     -0.2035000    


%chk=000051545-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051545

0 1
O -2.764654 2.118135 -0.679701
O -4.101949 -0.003977 -1.849874
O -3.614359 -1.432607 1.615551
C -3.649103 1.263655 0.182955
C -2.207383 1.398856 0.557402
C -4.148791 -0.070083 -0.387212
C -1.272790 0.269445 0.283652
C -3.304239 -1.247483 0.173973
C -1.809841 -1.016992 0.085297
C 0.145710 0.484160 0.217435
C -0.935580 -2.109369 -0.156047
C 1.030330 -0.633737 -0.009637
C 0.450433 -1.924985 -0.194810
C 0.706441 1.810876 0.361195
C 2.479454 -0.413154 -0.055149
C 2.991228 0.924894 0.111359
C 2.070354 2.019930 0.309797
C 3.421380 -1.469176 -0.256920
C 4.400555 1.158373 0.069776
C 4.800532 -1.220435 -0.293448
C 5.298721 0.103961 -0.129429
H -4.390253 1.845900 0.743018
H -1.948350 2.091643 1.367148
H -5.198433 -0.221169 -0.043656
H -3.568307 -2.174651 -0.383748
H -1.357985 -3.110999 -0.297948
H -4.412017 -0.873001 -2.214979
H 1.090537 -2.792768 -0.376362
H 0.031516 2.663015 0.483889
H -4.563877 -1.709915 1.707256
H 2.479881 3.031844 0.412405
H 3.072659 -2.498382 -0.384497
H 4.768720 2.183430 0.196171
H 5.499472 -2.049659 -0.448750
H 6.377388 0.291723 -0.160013


