%chk=000173683.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173683

0 1
 O   -4.725700     -0.2585000      -1.319000    
 O    5.005500      0.8631000       1.318600    
 C   -3.137600     -0.9429000      0.3500000    
 C   -1.988500     -6.0899999E-02 -0.1626000    
 C   -4.544100     -0.3561000      9.6299998E-02
 C  -0.6267000     -0.6956000      0.1406000    
 C   0.5493000      0.1352000     -0.3823000    
 C   -5.607100      -1.324300      0.6320000    
 C   -4.709400      0.9902000      0.7713000    
 C    1.880500     -0.5222000     -0.1449000    
 C    3.089000     -9.5200002E-02 -0.5602000    
 C    4.382400     -0.8257000     -0.3077000    
 C    3.215200       1.175200      -1.359000    
 C   -4.964800       2.159700      0.1714000    
 C    5.360100      1.6400000E-02  0.4995000    
 C    6.821900     -0.2582000      0.2561000    
 H   -3.062700      -1.918000     -0.1499000    
 H   -2.999100      -1.122400       1.424500    
 H   -2.088400      8.8000000E-02  -1.244200    
 H   -2.026100      0.9281000      0.3072000    
 H  -0.5912000      -1.696900     -0.3081000    
 H  -0.5234000     -0.8317000       1.224900    
 H   0.4093000      0.2923000      -1.458400    
 H   0.5368000       1.114500      0.1108000    
 H   -6.618300     -0.9465000      0.4388000    
 H   -5.503700      -1.489600       1.710100    
 H   -5.539500      -2.294400      0.1258000    
 H   -4.604800      0.9985000       1.855200    
 H    1.854600      -1.448600      0.4275000    
 H   -5.652900     -2.1500001E-02  -1.492100    
 H    4.221100      -1.761000      0.2395000    
 H    4.839400      -1.078300      -1.271300    
 H    3.792100       1.926000     -0.8104000    
 H    3.730700      0.9715000      -2.303900    
 H    2.257100       1.635600      -1.613800    
 H   -5.061100       3.065000      0.7614000    
 H   -5.079400       2.246400     -0.9026000    
 H    7.070700     -2.5500000E-02 -0.7822000    
 H    7.037500      -1.307700      0.4711000    
 H    7.429900      0.3689000      0.9142000    


%chk=000173683-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173683

0 1
O -4.540261 0.140356 -1.405119
O 5.457254 1.517421 -0.047656
C -3.099780 -0.922853 0.205398
C -1.983636 0.127658 0.034993
C -4.541692 -0.387332 -0.020728
C -0.575183 -0.479881 0.220463
C 0.554459 0.571941 0.049426
C -5.564670 -1.548250 0.082088
C -4.902965 0.700219 0.987502
C 1.930209 0.003528 0.323196
C 3.016617 -0.020586 -0.501430
C 4.311592 -0.662529 -0.025489
C 3.056152 0.548587 -1.907042
C -5.035157 2.019969 0.708808
C 5.537470 0.266477 0.056761
C 6.880358 -0.430376 0.271191
H -2.941535 -1.748546 -0.516713
H -3.050529 -1.364712 1.221417
H -2.072262 0.578718 -0.971057
H -2.128856 0.949334 0.764244
H -0.418805 -1.300570 -0.508641
H -0.496197 -0.938355 1.228995
H 0.493540 1.009958 -0.963955
H 0.360966 1.405796 0.758164
H -6.594799 -1.186355 -0.097346
H -5.541905 -2.015456 1.083935
H -5.326714 -2.320392 -0.670494
H -5.071158 0.338806 2.013831
H 2.043838 -0.442833 1.325821
H -5.450146 0.480221 -1.607191
H 4.179457 -1.099246 0.986684
H 4.596327 -1.516725 -0.679498
H 3.730587 1.424751 -1.940854
H 3.451892 -0.198152 -2.624234
H 2.063673 0.867297 -2.263389
H -5.309390 2.742624 1.484898
H -4.848429 2.409793 -0.298586
H 7.247093 -0.820020 -0.699032
H 6.789088 -1.292755 0.955790
H 7.622098 0.285371 0.659049


