%chk=000057811.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057811

0 1
 O   -2.472600     -0.4677000      0.4523000    
 O    3.729200     -0.1445000     -0.1867000    
 O    3.327500       2.121300     -0.2462000    
 C  -0.8015000       1.222700      0.2098000    
 C  -0.1808000      -1.111700      0.2481000    
 C   -1.836900       2.297100      0.2688000    
 C  -0.5465000      -2.556000      0.3478000    
 C   -1.161500     -0.1214000      0.3045000    
 C   0.5392000       1.576800      5.8699999E-02
 C    1.159900     -0.7579000      9.7000003E-02
 C    1.520000      0.5864000      2.4000001E-03
 C   -1.645200       3.231600       1.477400    
 C   -1.898900       3.124400      -1.028300    
 C  -0.1795000      -3.343800     -0.9232000    
 C   7.4299999E-02  -3.234900       1.582400    
 C    2.917700      0.9566000     -0.1543000    
 C   -3.221800     -0.6864000     -0.7405000    
 C   -4.604500      -1.107800     -0.3681000    
 C    5.133300      9.0899996E-02 -0.3367000    
 C    5.857500      -1.238500     -0.3504000    
 C   -5.708700     -0.4373000     -0.7149000    
 H   -2.834300       1.861900      0.3973000    
 H   -1.629400      -2.669600      0.4712000    
 H   0.8228000       2.623600     -1.5100000E-02
 H    1.907700      -1.544700      5.5399999E-02
 H   -1.621600       2.659300       2.411600    
 H   -2.471100       3.948200       1.543400    
 H  -0.7140000       3.804400       1.411100    
 H  -0.9800000       3.696600      -1.195300    
 H   -2.730300       3.836800     -0.9891000    
 H   -2.053100       2.476300      -1.898000    
 H  -0.6272000      -2.883800      -1.811000    
 H  -0.5491000      -4.373000     -0.8561000    
 H   0.9034000      -3.390700      -1.080000    
 H    1.167400      -3.273100       1.525700    
 H  -0.2886000      -4.264300       1.677400    
 H  -0.1958000      -2.697900       2.498500    
 H   -2.759800      -1.481400      -1.336800    
 H   -3.235100      0.2256000      -1.348300    
 H   -4.708900      -2.018500      0.2157000    
 H    5.314300      0.6225000      -1.277400    
 H    5.491200      0.7005000      0.5003000    
 H    6.935700      -1.095600     -0.4639000    
 H    5.669100      -1.789200      0.5771000    
 H    5.495200      -1.865900      -1.171400    
 H   -6.686700     -0.7973000     -0.4149000    
 H   -5.658700      0.4755000      -1.298200    


%chk=000057811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057811

0 1
O -2.548755 -0.440608 0.485475
O 3.825320 -0.164141 -0.223600
O 3.380157 2.122839 -0.268960
C -0.805338 1.259701 0.212083
C -0.215346 -1.168327 0.245962
C -1.849685 2.374577 0.307713
C -0.630336 -2.635050 0.388009
C -1.174872 -0.114797 0.289510
C 0.564749 1.563227 0.062169
C 1.144177 -0.817324 0.094346
C 1.539245 0.538499 -0.005097
C -1.600624 3.263989 1.555629
C -1.884806 3.235080 -0.983495
C -0.270897 -3.458342 -0.877743
C 0.000476 -3.270615 1.656067
C 2.963798 0.939406 -0.175075
C -3.305544 -0.670941 -0.780502
C -4.691503 -1.120941 -0.406342
C 5.273728 0.153361 -0.394577
C 6.018611 -1.177750 -0.405243
C -5.828662 -0.566339 -0.892437
H -2.836893 1.894534 0.437488
H -1.727581 -2.658675 0.520969
H 0.904549 2.602586 -0.004860
H 1.913875 -1.593900 0.056035
H -1.611968 2.661159 2.481143
H -2.385272 4.039056 1.638107
H -0.622865 3.777213 1.495006
H -0.922314 3.755570 -1.143150
H -2.676855 4.003608 -0.912742
H -2.082610 2.616227 -1.878409
H -0.738702 -3.033131 -1.785130
H -0.615452 -4.503671 -0.769564
H 0.822330 -3.478859 -1.043826
H 1.104464 -3.282502 1.591942
H -0.343136 -4.315134 1.775233
H -0.281070 -2.707724 2.563792
H -2.777289 -1.453008 -1.367313
H -3.329052 0.260648 -1.380874
H -4.738968 -1.964568 0.295875
H 5.398036 0.716329 -1.337544
H 5.587845 0.808709 0.438060
H 7.102107 -0.998948 -0.531368
H 5.864988 -1.723321 0.541629
H 5.673493 -1.816707 -1.236245
H -6.816284 -0.951554 -0.616863
H -5.805966 0.286659 -1.582183


