%chk=000113578.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113578

0 1
 O   4.9999999E-03  0.7133000      0.1042000    
 O   -6.056400     -0.7993000      9.6600004E-02
 O   0.2369000      -1.555900     -0.3756000    
 C    6.368900     -8.7300003E-02 -0.3684000    
 C    5.620500       1.231300     -6.7000002E-02
 C    6.478300     -0.9701000      0.8926000    
 C    7.749700      0.2447000     -0.9462000    
 C    4.117900       1.092400     -2.1299999E-02
 C    7.204700      -2.287600      0.6575000    
 C    3.384000       1.268100      -1.183300    
 C    3.500500      0.7923000       1.182500    
 C    1.995600       1.140500      -1.140500    
 C    2.112100      0.6646000       1.225100    
 C    1.359700      0.8387000      6.3699998E-02
 C   -1.942600     -0.6386000     -7.2899997E-02
 C  -0.4602000     -0.5822000     -0.1334000    
 C   -6.742700      0.4166000      0.3904000    
 C   -8.114200      0.3782000     -0.2665000    
 C   -4.697700     -0.7455000      3.9700001E-02
 C   -2.607000      -1.560500     -0.8557000    
 C   -2.610400      0.2317000      0.7645000    
 C   -3.999700      -1.614500     -0.7989000    
 C   -4.003100      0.1775000      0.8214000    
 C   -8.899800       1.651400     -8.5000005E-03
 H    5.818200     -0.6451000      -1.137600    
 H    5.859800       1.980300     -0.8346000    
 H    5.981600       1.669100      0.8735000    
 H    6.987600     -0.4215000       1.694300    
 H    5.474700      -1.209700       1.259200    
 H    7.660800      0.9058000      -1.815200    
 H    8.379900      0.7448000     -0.2030000    
 H    8.268900     -0.6562000      -1.286500    
 H    8.268100      -2.131500      0.4546000    
 H    6.764600      -2.835800     -0.1814000    
 H    7.132000      -2.918700       1.549300    
 H    3.870000       1.500700      -2.126400    
 H    4.075200      0.6619000       2.094800    
 H    1.415300       1.277100      -2.049100    
 H    1.622700      0.4313000       2.166900    
 H   -6.204400       1.288200     -4.4000000E-03
 H   -6.847700      0.5140000       1.477200    
 H   -8.675300     -0.4877000      0.1045000    
 H   -8.001200      0.2237000      -1.346300    
 H   -2.074900      -2.240000      -1.514800    
 H   -2.090400      0.9453000       1.396500    
 H   -4.535600      -2.335200      -1.410600    
 H   -4.505900      0.8503000       1.509900    
 H   -8.375900       2.524700     -0.4102000    
 H   -9.881800       1.594700     -0.4885000    
 H   -9.054500       1.806400       1.064100    


%chk=000113578-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113578

0 1
O 0.125264 0.249506 -0.548863
O -6.256625 -0.332315 -0.479367
O -0.147451 -1.186990 -2.400326
C 6.697088 -0.079075 -0.036426
C 5.830958 1.186805 -0.335507
C 6.401498 -0.640956 1.379825
C 8.194815 0.255569 -0.230153
C 4.334968 0.920724 -0.416451
C 7.065883 -2.003742 1.674355
C 3.785643 0.190971 -1.501676
C 3.442675 1.386471 0.583716
C 2.403533 -0.079567 -1.606864
C 2.058397 1.133489 0.503323
C 1.543990 0.401485 -0.589689
C -2.083107 -0.430584 -1.135373
C -0.637584 -0.521657 -1.455867
C -6.848584 0.474481 0.610015
C -8.365136 0.289005 0.532347
C -4.870455 -0.320641 -0.635091
C -2.993698 -1.159599 -1.952626
C -2.590427 0.349385 -0.065234
C -4.371723 -1.108046 -1.707774
C -3.974014 0.409940 0.190242
C -9.091859 1.095430 1.631024
H 6.416675 -0.860514 -0.775423
H 6.180651 1.618299 -1.295210
H 6.037121 1.944751 0.446687
H 6.732237 0.105082 2.133608
H 5.305250 -0.743520 1.499950
H 8.387937 0.644082 -1.247970
H 8.519528 1.028852 0.493412
H 8.835308 -0.632331 -0.084834
H 8.168909 -1.936303 1.667587
H 6.768208 -2.757827 0.921056
H 6.762658 -2.384355 2.667143
H 4.450303 -0.173657 -2.294795
H 3.835508 1.957418 1.433404
H 2.003133 -0.645996 -2.447626
H 1.367670 1.495349 1.271096
H -6.569232 1.539871 0.473304
H -6.453055 0.123583 1.585814
H -8.598676 -0.787489 0.628954
H -8.712779 0.605038 -0.468622
H -2.592529 -1.758946 -2.776157
H -1.892080 0.909151 0.562278
H -5.084367 -1.661137 -2.326410
H -4.341059 1.019600 1.020443
H -8.892285 2.179301 1.535828
H -10.184008 0.949037 1.563002
H -8.773275 0.779272 2.642122


