%chk=000085647.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085647

0 1
 O   -2.042400      0.4429000      0.1423000    
 O   -2.335500      -1.726100     -0.6093000    
 C    3.231300     -0.3593000     -0.2166000    
 C    2.972900       1.087500      0.2140000    
 C    2.365700      -1.368600      0.5398000    
 C    3.902800       2.053900     -0.5034000    
 C   0.9318000      -1.173700      0.2853000    
 C   -3.429300      0.7209000     -7.6600000E-02
 C   -3.712400       2.155500      0.3149000    
 C  -0.2404000      -1.013800      7.8800000E-02
 C   -1.644600     -0.8193000     -0.1693000    
 H    3.055000     -0.4550000      -1.295600    
 H    4.285900     -0.6062000     -4.2800002E-02
 H    3.120500       1.185000       1.295900    
 H    1.937500       1.374300     -5.0000002E-04
 H    2.564300      -1.293400       1.615200    
 H    2.652700      -2.381600      0.2346000    
 H    3.760100       2.003300      -1.587600    
 H    3.703400       3.080900     -0.1819000    
 H    4.950800       1.826800     -0.2833000    
 H   -3.669000      0.5718000      -1.135400    
 H   -4.038000      4.3699998E-02  0.5328000    
 H   -4.766400       2.402600      0.1597000    
 H   -3.460700       2.324700       1.367100    
 H   -3.097300       2.844200     -0.2738000    


%chk=000085647-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085647

0 1
O -2.084443 0.448780 -0.002038
O -2.477901 -1.711030 0.808683
C 3.207987 -0.231574 -0.482397
C 3.147533 0.975275 0.479279
C 2.400896 -1.463824 0.019868
C 3.968302 2.177905 -0.033058
C 0.956609 -1.216891 0.145222
C -3.552504 0.717505 0.118162
C -3.774363 2.149526 -0.356259
C -0.255973 -0.996904 0.238509
C -1.680178 -0.834715 0.387139
H 2.830323 0.068747 -1.479034
H 4.262061 -0.546402 -0.618211
H 3.521099 0.666251 1.477052
H 2.090790 1.275685 0.618302
H 2.793530 -1.785170 1.006300
H 2.554044 -2.319312 -0.668369
H 3.593853 2.523415 -1.015083
H 3.911490 3.030486 0.667784
H 5.035406 1.911504 -0.155128
H -4.093034 -0.024134 -0.497686
H -3.847825 0.567369 1.172597
H -4.847803 2.404054 -0.287551
H -3.207006 2.863060 0.265287
H -3.454196 2.271393 -1.405069


