%chk=000112832.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112832

0 1
 O  -0.2220000      -1.017000     -0.3737000    
 O    2.129200       1.283000      0.4845000    
 O  -0.3270000     -5.0400000E-02  0.7173000    
 O    1.083200       1.459300     -0.5207000    
 O   -3.028900      3.9000001E-02 -0.4372000    
 O   -3.304900       2.232600      0.2225000    
 C   0.5663000      -2.121900      9.7999997E-02
 C    3.198000      0.5408000     -0.1249000    
 C    1.986700      -1.663100      0.4964000    
 C    2.715000     -0.8501000     -0.5923000    
 C  -0.1367000      -2.796600       1.286000    
 C   0.6253000      -3.128900      -1.060300    
 C    4.288600      0.4050000      0.9485000    
 C    3.780500       1.335100      -1.304000    
 C  -0.1737000       1.254200      0.1400000    
 C   -1.274600       1.501200     -0.8982000    
 C  -0.3428000       2.271600       1.274500    
 C   -2.646500       1.343300     -0.2991000    
 C   -4.321600     -0.2828000      8.6199999E-02
 C   -4.594200      -1.754100     -0.1434000    
 H    2.595500      -2.541400      0.7480000    
 H    1.916900      -1.078100       1.420600    
 H    3.573800      -1.431700     -0.9522000    
 H    2.063100     -0.7174000      -1.463200    
 H   -1.170300      -3.055800       1.029800    
 H  -0.1902000      -2.129300       2.153200    
 H   0.3859000      -3.707800       1.595700    
 H    1.229600      -4.005200     -0.8032000    
 H    1.037700      -2.678200      -1.969000    
 H  -0.3821000      -3.471400      -1.325800    
 H    5.144800     -0.1716000      0.5833000    
 H    4.647400       1.392700       1.261800    
 H    3.907700     -7.6899998E-02   1.854900    
 H    4.055900       2.349000     -0.9920000    
 H    4.667300      0.8440000      -1.718200    
 H    3.050500       1.446700      -2.113100    
 H   -1.177500      0.8320000      -1.762300    
 H   -1.197100       2.510600      -1.321800    
 H   -1.275900       2.131100       1.828900    
 H   0.4538000       2.162400       2.019700    
 H  -0.2883000       3.299900      0.9015000    
 H   -4.344500     -6.5300003E-02   1.159800    
 H   -5.082200      0.3189000     -0.4237000    
 H   -5.576100      -2.035900      0.2467000    
 H   -4.556500      -1.990800      -1.211900    
 H   -3.829900      -2.367800      0.3448000    


%chk=000112832-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112832

0 1
O -0.125021 -1.279596 0.148581
O 2.271627 1.392260 0.373066
O -0.113107 -0.127443 1.183251
O 0.963219 1.361868 -0.447830
O -3.451077 0.126285 -0.815964
O -3.142321 1.263250 1.189345
C 0.909948 -2.269839 0.604446
C 3.274521 0.574732 -0.392500
C 2.298829 -1.584341 0.693287
C 2.742759 -0.867204 -0.605202
C 0.491183 -2.857061 1.967133
C 0.816955 -3.326252 -0.518007
C 4.490379 0.646829 0.557082
C 3.572445 1.262028 -1.740405
C -0.169677 1.150504 0.472298
C -1.346662 1.214685 -0.535503
C -0.199588 2.175805 1.614050
C -2.701514 0.890073 0.078408
C -4.831935 -0.238307 -0.367526
C -5.467240 -1.030499 -1.505141
H 3.036497 -2.349468 1.002708
H 2.230970 -0.843133 1.510130
H 3.525439 -1.443288 -1.135205
H 1.876479 -0.785495 -1.286206
H -0.501197 -3.334880 1.892223
H 0.435930 -2.059934 2.727271
H 1.222907 -3.614623 2.303458
H 1.486263 -4.171621 -0.276529
H 1.115106 -2.909888 -1.494467
H -0.214357 -3.710840 -0.602070
H 5.352215 0.145654 0.080708
H 4.764288 1.697785 0.754790
H 4.283894 0.152355 1.520651
H 3.951059 2.285944 -1.575899
H 4.332490 0.692263 -2.306200
H 2.655549 1.324830 -2.350291
H -1.153861 0.512228 -1.360432
H -1.388044 2.236683 -0.954987
H -1.113144 2.046045 2.212630
H 0.694829 2.055371 2.244215
H -0.191488 3.189549 1.179085
H -4.745287 -0.825701 0.564176
H -5.380917 0.692868 -0.136902
H -6.493141 -1.331480 -1.224450
H -5.522525 -0.424466 -2.425660
H -4.884479 -1.941634 -1.723216


