%chk=000040812.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040812

0 1
 O   -2.270800      -1.801800      0.6444000    
 O   -2.419700      -2.101200      -1.672700    
 C   0.7669000      0.2014000      0.1136000    
 C    2.172300     -1.1600000E-02  3.6699999E-02
 C   0.2148000       1.501600     -3.6200002E-02
 C  -7.8000002E-02 -0.9060000      0.3427000    
 C   -1.209900       1.680200      4.7300000E-02
 C    3.044000       1.074900     -0.1914000    
 C    2.711700      -1.312400      0.1877000    
 C   -2.034300      0.5510000      0.2780000    
 C   -1.460400     -0.7165000      0.4212000    
 C    1.126100       2.558400     -0.2629000    
 C   0.4719000      -2.186700      0.4901000    
 C    2.506100       2.352900     -0.3390000    
 C    1.848600      -2.388200      0.4136000    
 C    4.427800      0.8562000     -0.2658000    
 C    4.098900      -1.503700      0.1090000    
 C   -1.866700       2.930000     -8.6700000E-02
 C   -3.430600      0.6908000      0.3652000    
 C    4.950800     -0.4255000     -0.1164000    
 C   -3.255600       3.055600      2.2000000E-03
 C   -4.038300       1.934800      0.2283000    
 C   -2.700200      -2.433400     -0.5287000    
 C   -3.575300      -3.600700     -0.1801000    
 H   0.7812000       3.581800     -0.3877000    
 H  -0.1508000      -3.059300      0.6745000    
 H    3.152100       3.210500     -0.5158000    
 H    2.237800      -3.397000      0.5345000    
 H    5.111400       1.684300     -0.4412000    
 H    4.529200      -2.496600      0.2227000    
 H   -1.305800       3.843900     -0.2650000    
 H   -4.081400     -0.1612000      0.5494000    
 H    6.023700     -0.5844000     -0.1757000    
 H   -3.719500       4.031800     -0.1058000    
 H   -5.117700       2.026300      0.3000000    
 H   -3.010800      -4.319100      0.4195000    
 H   -3.904000      -4.094600      -1.098900    
 H   -4.456500      -3.251800      0.3638000    


%chk=000040812-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040812

0 1
O -2.337643 -1.854290 0.549614
O -2.485188 -2.368721 -1.739580
C 0.784632 0.207419 0.089494
C 2.209706 0.004665 0.027559
C 0.232407 1.526607 -0.030472
C -0.084966 -0.945047 0.269233
C -1.207659 1.712681 0.038031
C 3.093416 1.128565 -0.157171
C 2.768442 -1.320676 0.148698
C -2.067986 0.559297 0.216203
C -1.471535 -0.734832 0.315678
C 1.143350 2.629735 -0.214921
C 0.503868 -2.263512 0.396617
C 2.515290 2.441856 -0.275956
C 1.869485 -2.441803 0.338876
C 4.501295 0.912440 -0.217889
C 4.173661 -1.493869 0.083531
C -1.831462 2.998536 -0.065108
C -3.489516 0.735305 0.290161
C 5.032700 -0.384338 -0.098815
C -3.219279 3.146647 0.004688
C -4.057565 2.004214 0.186143
C -2.801320 -2.616451 -0.564581
C -3.702921 -3.722192 -0.064906
H 0.748637 3.644603 -0.311157
H -0.160547 -3.117996 0.552367
H 3.183276 3.299398 -0.417657
H 2.301996 -3.444227 0.437854
H 5.166845 1.771808 -0.359511
H 4.592217 -2.502866 0.175520
H -1.215659 3.891897 -0.201600
H -4.121161 -0.144333 0.441999
H 6.116077 -0.537812 -0.147614
H -3.667234 4.142799 -0.077900
H -5.144079 2.128677 0.244838
H -3.164163 -4.352965 0.663013
H -4.044922 -4.334204 -0.911491
H -4.573496 -3.292316 0.460613


