%chk=000079739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079739

0 1
 O   -1.332800       1.011500     -0.7228000    
 O   -1.430500     -0.9522000      0.6113000    
 O    1.753600      -1.914200     -0.6405000    
 O    2.832800       1.208900     -7.7200003E-02
 C   0.7401000      8.6400002E-02  0.1830000    
 C  -3.2699998E-02   1.350500     -0.2377000    
 C  -0.1355000     -0.7147000       1.165000    
 C    1.037400     -0.7733000      -1.060900    
 C    2.062200      0.4763000      0.8542000    
 C   -2.068200      0.2778000      0.2590000    
 C   -3.426500     -5.7100002E-02 -0.3334000    
 H  -0.1433000       2.049700      0.6008000    
 H   0.4843000       1.887000      -1.040600    
 H   0.3073000      -1.685400       1.411600    
 H  -0.2577000     -0.1751000       2.113000    
 H    1.637500     -0.2313000      -1.799600    
 H   0.1181000      -1.104900      -1.555300    
 H    2.635100     -0.3976000       1.181700    
 H    1.884300       1.110400       1.730100    
 H   -2.211400      0.8944000       1.155900    
 H   -4.035600     -0.6240000      0.3777000    
 H   -3.962000      0.8517000     -0.6251000    
 H   -3.313100     -0.6737000      -1.232400    
 H    1.934600      -2.449100      -1.432100    
 H    3.662100       1.455800      0.3664000    


%chk=000079739-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079739

0 1
O -1.360682 1.010561 -0.767241
O -1.455624 -0.983251 0.588457
O 1.814116 -1.966043 -0.603588
O 2.791497 1.417367 -0.018794
C 0.767165 0.083779 0.170832
C -0.020371 1.354198 -0.250698
C -0.119924 -0.720747 1.160139
C 1.085235 -0.768471 -1.073526
C 2.070484 0.496012 0.881808
C -2.123607 0.273589 0.241887
C -3.486203 -0.055969 -0.337180
H -0.120861 2.033520 0.625835
H 0.487047 1.895125 -1.062396
H 0.314452 -1.712146 1.358086
H -0.232039 -0.157381 2.114708
H 1.721193 -0.178287 -1.762495
H 0.138413 -1.049241 -1.572406
H 2.670649 -0.411403 1.088673
H 1.833367 1.012292 1.837718
H -2.178628 0.904056 1.164785
H -4.086096 -0.613554 0.400882
H -4.014755 0.871994 -0.611083
H -3.363878 -0.676940 -1.239970
H 1.870257 -2.623358 -1.338857
H 3.738893 1.472100 0.256524


