%chk=000104324.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104324

0 1
 O    2.143300      0.6029000     -0.3224000    
 O   -1.448100      0.3915000      0.1673000    
 O   -3.984400     -0.6746000     -0.3417000    
 C    3.250500     -0.2359000      9.3000000E-03
 C    3.053600      -1.591400     -0.6679000    
 C    4.515300      0.4450000     -0.5092000    
 C    3.306900     -0.3890000       1.528500    
 C   0.9191000      3.8300000E-02  0.1194000    
 C  -0.2188000      0.9672000     -0.2576000    
 C   -2.551000       1.232300     -0.1417000    
 C   -3.828400      0.5675000      0.3337000    
 C   -5.158000      -1.353900      8.2300000E-02
 H    2.738900      -1.473600      -1.711100    
 H    3.987500      -2.165700     -0.6597000    
 H    2.311000      -2.220900     -0.1662000    
 H    4.633300       1.438300     -6.0899999E-02
 H    4.456800      0.5995000      -1.592800    
 H    5.413300     -0.1421000     -0.2911000    
 H    2.550400      -1.076300       1.921500    
 H    4.275100     -0.7990000       1.839200    
 H    3.171300      0.5755000       2.031000    
 H   0.7086000     -0.9276000     -0.3489000    
 H   0.8812000     -8.8100001E-02   1.205300    
 H  -0.2308000       1.122500      -1.343400    
 H  -7.4100003E-02   1.945400      0.2170000    
 H   -2.430400       2.202800      0.3522000    
 H   -2.592200       1.379700      -1.227200    
 H   -4.687200       1.214700      0.1243000    
 H   -3.768700      0.3802000       1.412200    
 H   -5.229400      -2.294900     -0.4698000    
 H   -6.047700     -0.7543000     -0.1335000    
 H   -5.105700      -1.580000       1.151600    


%chk=000104324-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104324

0 1
O 2.118494 0.501262 -0.246668
O -1.499816 0.457087 0.316784
O -4.264749 -0.507307 -0.541279
C 3.349439 -0.298375 0.043405
C 3.265413 -1.684192 -0.639242
C 4.461271 0.556527 -0.593431
C 3.565654 -0.436021 1.568660
C 0.855438 -0.006381 0.299881
C -0.229733 0.917635 -0.253427
C -2.639260 1.244844 -0.159790
C -3.918167 0.599634 0.353425
C -5.395150 -1.284046 -0.042819
H 3.047308 -1.564930 -1.715162
H 4.226991 -2.219347 -0.534389
H 2.480257 -2.319116 -0.190574
H 4.491503 1.554147 -0.121888
H 4.264116 0.692116 -1.671050
H 5.446867 0.073005 -0.469719
H 2.794621 -1.073361 2.038157
H 4.549514 -0.896469 1.773236
H 3.540445 0.557935 2.050096
H 0.653071 -1.047723 -0.021556
H 0.846878 0.031488 1.408001
H -0.252770 0.860830 -1.362496
H -0.019469 1.969385 0.039866
H -2.559060 2.289478 0.217790
H -2.664145 1.272180 -1.270670
H -4.743820 1.347443 0.367440
H -3.753068 0.234691 1.390796
H -5.570631 -2.082915 -0.780498
H -6.313819 -0.663689 0.050855
H -5.172421 -1.739817 0.945964


