%chk=000097476.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097476

0 1
 O   0.5592000      -1.740500      0.8139000    
 O  -0.4928000       1.501900       1.281800    
 O   0.1382000      -3.959800      0.1997000    
 O  -0.4237000       3.557800      0.1643000    
 C   1.2600000E-02  0.1906000      -1.146100    
 C   -1.093700     -0.4980000     -0.4043000    
 C    1.143800      0.6535000     -0.2557000    
 C   -2.441400     -0.2004000     -0.6642000    
 C    2.476200      0.4392000     -0.6200000    
 C   -3.451600     -0.8757000      6.1200000E-02
 C    3.501300      0.8899000      0.2453000    
 C  -0.7469000      -1.447500      0.5571000    
 C   0.8076000       1.295000      0.9299000    
 C   -3.084200      -1.829000       1.024800    
 C    3.154200       1.538000       1.441900    
 C   -1.740200      -2.112000       1.270100    
 C    1.815700       1.738500       1.780700    
 C   -2.808500      0.7526000      -1.628400    
 C    2.823000     -0.2085000      -1.816900    
 C   -4.799200     -0.5781000     -0.1988000    
 C    4.843200      0.6793000     -0.1116000    
 C   -4.152400       1.035900      -1.873400    
 C    4.161400     -0.4095000      -2.155500    
 C   -5.145800      0.3720000      -1.159900    
 C    5.169500      3.3399999E-02  -1.304500    
 C   0.8992000      -3.083700      0.5886000    
 C   -1.023100       2.717800      0.8225000    
 C    2.350300      -3.303500      0.8983000    
 C   -2.451900       2.850800       1.259200    
 H   0.3055000     -0.5326000      -1.908600    
 H  -0.2838000       1.089800      -1.687800    
 H   -3.843900      -2.357100       1.597400    
 H    3.925600       1.892600       2.122400    
 H   -1.488800      -2.840000       2.037100    
 H    1.568500       2.241100       2.712000    
 H   -2.099800       1.299400      -2.238300    
 H    2.102300     -0.5655000      -2.542400    
 H   -5.592500      -1.084900      0.3467000    
 H    5.647700       1.017300      0.5383000    
 H   -4.424100       1.772700      -2.623900    
 H    4.417500     -0.9083000      -3.085900    
 H   -6.191800      0.5926000      -1.351700    
 H    6.211300     -0.1225000      -1.569100    
 H    2.967600      -2.806000      0.1474000    
 H    2.565500      -4.375600      0.8831000    
 H    2.578400      -2.922500       1.897000    
 H   -2.856700       1.886500       1.576400    
 H   -3.053400       3.214800      0.4226000    
 H   -2.507100       3.550300       2.096600    


%chk=000097476-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097476

0 1
O 0.549729 -1.912326 0.600321
O -0.428876 1.870864 1.280362
O 0.353680 -4.202744 0.094675
O -0.772299 3.365166 -0.493829
C -0.012263 0.247393 -1.141211
C -1.134646 -0.518284 -0.435496
C 1.142571 0.728336 -0.263405
C -2.533296 -0.196978 -0.640423
C 2.524855 0.415531 -0.572906
C -3.554797 -0.979176 0.037407
C 3.587062 0.906963 0.289106
C -0.834400 -1.617169 0.381959
C 0.904001 1.533528 0.857091
C -3.167257 -2.063356 0.888669
C 3.260037 1.699389 1.436556
C -1.825780 -2.386658 1.056436
C 1.934043 2.009831 1.715897
C -2.976853 0.863085 -1.506370
C 2.912503 -0.377554 -1.707937
C -4.939983 -0.664730 -0.157948
C 4.953864 0.593550 -0.011750
C -4.334908 1.139045 -1.685076
C 4.253127 -0.665800 -1.979006
C -5.331195 0.374645 -1.002560
C 5.289544 -0.178168 -1.124398
C 1.046790 -3.238983 0.470717
C -1.173361 2.841880 0.564150
C 2.509294 -3.255124 0.847265
C -2.470821 3.111746 1.287427
H 0.378798 -0.403944 -1.940502
H -0.425015 1.133729 -1.650708
H -3.943107 -2.645398 1.398378
H 4.065174 2.062084 2.085155
H -1.521750 -3.226030 1.686146
H 1.653026 2.617008 2.581568
H -2.248406 1.472706 -2.047753
H 2.151262 -0.768610 -2.388823
H -5.691343 -1.267585 0.365973
H 5.736329 0.978540 0.653148
H -4.638343 1.950306 -2.355800
H 4.512426 -1.269317 -2.855827
H -6.392278 0.602844 -1.149798
H 6.336788 -0.408377 -1.347622
H 3.075983 -2.569556 0.193433
H 2.903857 -4.276960 0.753020
H 2.637344 -2.894861 1.882712
H -3.047822 2.176350 1.383880
H -3.059945 3.853511 0.730023
H -2.265345 3.481756 2.306977


