%chk=000051586.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051586

0 1
 O  -0.9160000     -0.2854000     -0.6483000    
 O   -3.088700       1.382300       1.529300    
 O   -3.177200       1.337200     -0.7431000    
 C   0.4134000     -0.1144000     -0.3569000    
 C    1.214900      -1.224900     -0.1120000    
 C   0.9501000       1.168400     -0.3096000    
 C    2.566900      -1.050900      0.1836000    
 C    2.302200       1.342300     -1.4100000E-02
 C   -1.817300     -0.2953000      0.4474000    
 C    3.110500      0.2325000      0.2325000    
 C   -2.542100      -1.641400      0.4955000    
 C   0.6283000      -2.599600     -0.1649000    
 C   8.0399998E-02   2.355800     -0.5753000    
 C    3.453000      -2.222400      0.4544000    
 C    2.908200       2.706200      4.4399999E-02
 C   -3.319600      -1.966500     -0.7751000    
 C   -2.766900      0.8760000      0.3123000    
 H   -1.266000     -0.1661000       1.390000    
 H    4.165100      0.3680000      0.4607000    
 H   -3.251100      -1.632300       1.333000    
 H   -1.846400      -2.456800      0.6969000    
 H    1.343100      -3.330300     -0.5572000    
 H   0.3250000      -2.920600      0.8357000    
 H  -0.2217000      -2.656700     -0.8508000    
 H  -0.6876000       2.127100      -1.320600    
 H  -0.4006000       2.686700      0.3502000    
 H   0.6344000       3.199100     -0.9981000    
 H    3.623700      -2.794600     -0.4632000    
 H    4.433000      -1.908100      0.8307000    
 H    3.018800      -2.874600       1.219400    
 H    2.337000       3.361300      0.7107000    
 H    2.957200       3.148400     -0.9559000    
 H    3.930800       2.675900      0.4373000    
 H   -3.792700      -2.949500     -0.6806000    
 H   -2.663200      -1.994800      -1.650000    
 H   -4.112700      -1.235900     -0.9595000    
 H   -3.692100       2.152300       1.457200    


%chk=000051586-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051586

0 1
O -0.901306 -0.271401 -0.749060
O -3.891245 1.243203 0.752017
O -3.108372 1.326718 -1.434098
C 0.471975 -0.121547 -0.367061
C 1.263203 -1.296824 -0.266354
C 0.998232 1.188410 -0.184436
C 2.635505 -1.148907 0.090184
C 2.367528 1.313729 0.186215
C -1.885200 0.007681 0.310341
C 3.153696 0.145113 0.326358
C -2.483950 -1.312518 0.863841
C 0.681211 -2.669353 -0.546669
C 0.130261 2.411782 -0.422843
C 3.534368 -2.365877 0.219676
C 2.995863 2.679177 0.410555
C -3.275193 -2.114693 -0.189188
C -2.978377 0.912253 -0.268581
H -1.400816 0.558421 1.141859
H 4.207737 0.248332 0.612639
H -3.134166 -1.059273 1.721958
H -1.640369 -1.912912 1.252096
H 1.249525 -3.183551 -1.345091
H 0.728842 -3.323082 0.346445
H -0.366546 -2.592409 -0.871241
H -0.687449 2.179819 -1.124660
H -0.320622 2.797530 0.514495
H 0.723451 3.238308 -0.850395
H 3.627269 -2.907785 -0.741692
H 4.549264 -2.077846 0.542407
H 3.138560 -3.093193 0.954544
H 2.421076 3.283530 1.137109
H 3.042661 3.266582 -0.527406
H 4.026633 2.580907 0.791792
H -3.585771 -3.092498 0.219914
H -2.663683 -2.292916 -1.090677
H -4.188378 -1.576202 -0.502847
H -4.601316 1.829690 0.373856


