%chk=000105591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105591

0 1
 O   -2.784000       1.318900     -0.1601000    
 O   -2.852900      -1.017600     -0.5402000    
 C    3.416100      4.5100000E-02  0.1910000    
 C    1.925000      4.1800000E-02  0.2194000    
 C  -0.8432000      3.3900000E-02  0.2720000    
 C    1.251100     -0.1155000       1.430400    
 C    1.204500      0.1950000     -0.9652000    
 C    3.992500       1.381600     -0.3136000    
 C    3.992100      -1.118500     -0.6382000    
 C  -0.1435000     -0.1196000       1.456900    
 C  -0.1902000      0.1911000     -0.9387000    
 C   -2.355300      2.9700000E-02  0.3004000    
 C   -4.200400       1.441200     -0.1794000    
 C   -2.411800      -2.307100     -0.1347000    
 H    3.790500     -8.7899998E-02   1.215200    
 H    1.796800     -0.2364000       2.362400    
 H    1.708800      0.3186000      -1.919500    
 H    3.736400       1.568300      -1.362100    
 H    5.084900       1.383500     -0.2320000    
 H    3.609400       2.219200      0.2798000    
 H    3.608400      -2.079700     -0.2785000    
 H    5.084400      -1.141700     -0.5596000    
 H    3.736100      -1.031200      -1.699600    
 H  -0.6578000     -0.2433000       2.405400    
 H  -0.7412000      0.3112000      -1.867000    
 H   -2.733100     -0.1167000       1.320700    
 H   -4.618300       1.246300      0.8129000    
 H   -4.639000      0.7614000     -0.9156000    
 H   -4.450600       2.466200     -0.4668000    
 H   -1.359700      -2.470200     -0.3839000    
 H   -2.998200      -3.048800     -0.6849000    
 H   -2.582700      -2.464200      0.9350000    


%chk=000105591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105591

0 1
O -2.825095 1.232062 -0.410710
O -2.902978 -1.107345 -0.496696
C 3.555866 0.012728 0.166280
C 2.024906 0.025838 0.185941
C -0.833418 0.069464 0.236310
C 1.313229 -0.261415 1.376200
C 1.275128 0.336382 -0.982499
C 4.131406 1.423836 -0.130219
C 4.110472 -1.030643 -0.839973
C -0.100696 -0.239202 1.403411
C -0.132458 0.355253 -0.962123
C -2.347516 0.052970 0.250684
C -4.290517 1.364944 -0.392559
C -2.715183 -2.377611 0.205465
H 3.899487 -0.282711 1.178567
H 1.870232 -0.500480 2.290706
H 1.799427 0.567396 -1.917763
H 3.831350 1.770941 -1.136418
H 5.236715 1.408269 -0.093146
H 3.768777 2.165550 0.603907
H 3.736583 -2.044896 -0.611307
H 5.215810 -1.051474 -0.807160
H 3.808891 -0.784996 -1.875254
H -0.631270 -0.455318 2.339958
H -0.705470 0.599680 -1.861959
H -2.738466 -0.009754 1.299451
H -4.674146 1.360815 0.649581
H -4.765051 0.548319 -0.962956
H -4.503824 2.337759 -0.861158
H -1.642905 -2.646300 0.286131
H -3.239213 -3.137410 -0.395315
H -3.154975 -2.348052 1.226523


