%chk=000050351.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050351

0 1
 O    4.218200     -0.7408000      -1.562500    
 O    4.507100      0.5800000       1.803200    
 O  -0.5780000       2.982200      -1.159300    
 C   6.1500002E-02 -6.0699999E-02 -1.7400000E-02
 C    1.470600      0.1842000     -6.3000001E-02
 C    2.378500     -0.9001000     -8.5600004E-02
 C  -0.3927000      -1.403300     -4.9000001E-03
 C    3.871600     -0.6731000     -0.1788000    
 C  -0.9331000      0.9508000      2.5400000E-02
 C    4.322500      0.6793000      0.3932000    
 C   -1.767900      -1.691600      3.8899999E-02
 C   -2.311000      0.6653000      7.0000000E-02
 C   -2.733500     -0.6763000      7.5700000E-02
 C    1.895800      -2.211200     -7.7399999E-02
 C   0.5283000      -2.457200     -3.5399999E-02
 C    2.035800       1.548100     -9.5799997E-02
 C    3.334700       1.775100      0.1413000    
 C  -0.6092000       2.414100      0.1401000    
 C   -2.227800      -3.126700      4.8700001E-02
 C   -3.275100       1.687600      0.1103000    
 C   -4.107700     -0.9677000      0.1202000    
 C   -4.636200       1.384700      0.1543000    
 C   -5.052400      5.7599999E-02  0.1590000    
 H    4.400700      -1.483600      0.3366000    
 H    5.283800      0.9654000     -5.0099999E-02
 H    2.585500      -3.051300     -0.1023000    
 H   0.2471000      -3.504300      1.3000000E-03
 H    1.547600       2.378500     -0.5707000    
 H    3.726900       2.782400      2.7400000E-02
 H   -1.334500       2.975200      0.7355000    
 H   0.2559000       2.656300      0.7577000    
 H   -3.224000      -3.289700     -0.3651000    
 H   -1.622300      -3.758700     -0.6085000    
 H   -2.199200      -3.526800       1.067200    
 H   -3.061400       2.748400      4.8700001E-02
 H   -4.513900      -1.971600      0.1592000    
 H    3.726500     -4.8900001E-02  -2.037200    
 H   -5.371600       2.184000      0.1727000    
 H   -6.111700     -0.1793000      0.1972000    
 H    5.195700     -8.7800004E-02   1.962300    
 H   -1.158300       2.476600      -1.752500    


%chk=000050351-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050351

0 1
O 4.337811 -1.048944 -1.493092
O 4.438847 0.977775 1.678425
O -0.440765 3.305910 -0.631027
C 0.041780 -0.067955 0.041695
C 1.481623 0.172524 -0.096199
C 2.383440 -0.905612 0.015026
C -0.426772 -1.457559 0.043869
C 3.879306 -0.680601 -0.123701
C -0.930036 0.972606 0.199792
C 4.345821 0.757106 0.211976
C -1.822109 -1.776024 0.011471
C -2.328617 0.661792 0.129398
C -2.783200 -0.720178 -0.015828
C 1.908482 -2.245604 0.141055
C 0.548725 -2.517230 0.106179
C 2.048380 1.493386 -0.453469
C 3.378665 1.778633 -0.329748
C -0.546133 2.401494 0.548871
C -2.241963 -3.238515 0.017746
C -3.330213 1.704394 0.170925
C -4.202329 -0.961674 -0.141910
C -4.686944 1.426313 0.050528
C -5.129507 0.073371 -0.116101
H 4.427041 -1.396094 0.516598
H 5.345725 0.883261 -0.254397
H 2.637845 -3.061045 0.204238
H 0.211702 -3.556042 0.133128
H 1.378966 2.252997 -0.873215
H 3.762688 2.766223 -0.604742
H -1.270857 2.825419 1.268073
H 0.445438 2.450434 1.019799
H -3.332208 -3.368991 0.009958
H -1.838680 -3.779232 -0.859053
H -1.864449 -3.754241 0.920525
H -3.023896 2.747950 0.293048
H -4.566422 -1.983574 -0.273450
H 3.770091 -0.562577 -2.146287
H -5.419638 2.240285 0.075598
H -6.198246 -0.141433 -0.222405
H 5.206498 0.451005 2.024314
H -1.223092 3.145347 -1.218011


