%chk=000168080.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168080

0 1
 O   -6.236100     -0.2588000       1.156900    
 O    6.643700     -0.9590000     -0.5631000    
 O    6.145300      0.7764000      0.8720000    
 C   -6.192200     -7.5099997E-02 -0.2640000    
 C   -5.170000     -0.8935000      0.4523000    
 C   -3.824400     -0.3231000      0.7824000    
 C   -5.859800       1.308100     -0.6813000    
 C   -7.327900     -0.6839000     -0.9974000    
 C   -2.857000     -0.4332000     -0.3990000    
 C   -1.500600      0.1611000     -9.2100002E-02
 C  -0.4435000     -0.5304000      0.3774000    
 C   -1.369800       1.636600     -0.3717000    
 C   0.9375000     -1.9700000E-02  0.6846000    
 C    1.924400     -0.2119000     -0.4765000    
 C    3.342800      0.2218000     -0.1698000    
 C    3.507900       1.695900      0.1059000    
 C    4.424500     -0.5794000     -0.1415000    
 C    5.813000     -0.1432000      0.1436000    
 C    8.041900     -0.6887000     -0.4186000    
 H   -5.181400      -1.970200      0.3564000    
 H   -3.887500      0.7121000       1.135000    
 H   -3.420500     -0.8935000       1.629200    
 H   -5.267100       1.301400      -1.601600    
 H   -6.772800       1.878800     -0.8874000    
 H   -5.313900       1.878700      7.5300001E-02
 H   -7.536000      -1.701000     -0.6479000    
 H   -8.242000     -9.5500000E-02 -0.8655000    
 H   -7.108100     -0.7408000      -2.068600    
 H   -3.274000      3.7000000E-02  -1.296600    
 H   -2.737500      -1.493400     -0.6603000    
 H  -0.5791000      -1.598000      0.5462000    
 H  -0.3432000       2.009000     -0.3730000    
 H   -1.774600       1.865700      -1.364000    
 H   -1.938700       2.210400      0.3670000    
 H    1.304500     -0.5706000       1.561200    
 H   0.9102000       1.026900       1.005300    
 H    1.926200      -1.270800     -0.7680000    
 H    1.572400      0.3396000      -1.358000    
 H    3.457100       1.893100       1.181300    
 H    4.438700       2.104400     -0.2983000    
 H    2.707100       2.268200     -0.3769000    
 H    4.300800      -1.634300     -0.3757000    
 H    8.270400      0.3219000     -0.7705000    
 H    8.345600     -0.8127000      0.6252000    
 H    8.592200      -1.406900      -1.032100    


%chk=000168080-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168080

0 1
O -6.350810 -0.647629 1.208238
O 6.546357 -1.543867 -0.262896
O 6.526260 0.744295 0.188092
C -6.290689 -0.351165 -0.290246
C -5.081115 -0.904753 0.420444
C -3.849827 -0.104607 0.803149
C -6.411154 1.121856 -0.649035
C -7.134432 -1.298114 -1.131639
C -2.792524 -0.112889 -0.340200
C -1.482141 0.575591 0.030895
C -0.318847 -0.138327 0.061488
C -1.592847 2.056215 0.354167
C 1.072898 0.349196 0.405562
C 2.067049 0.143114 -0.784812
C 3.502964 0.508433 -0.439192
C 3.762113 1.959432 -0.091459
C 4.464564 -0.470605 -0.448402
C 5.896614 -0.297087 -0.138965
C 7.998058 -1.529650 0.018163
H -4.890856 -1.980709 0.270180
H -4.139511 0.929949 1.057551
H -3.405253 -0.543924 1.717529
H -6.111288 1.291057 -1.700624
H -7.461182 1.449740 -0.540046
H -5.790874 1.759156 0.001075
H -7.048305 -2.333705 -0.760576
H -8.200969 -1.009843 -1.092483
H -6.812244 -1.275727 -2.190049
H -3.238859 0.388666 -1.225369
H -2.589009 -1.161179 -0.634910
H -0.376118 -1.208460 -0.197634
H -0.612311 2.555031 0.418774
H -2.190796 2.578011 -0.418608
H -2.110975 2.217569 1.319716
H 1.459129 -0.221975 1.274999
H 1.062939 1.411869 0.705200
H 2.010774 -0.910977 -1.116243
H 1.718356 0.770097 -1.630778
H 3.339807 2.194840 0.905875
H 4.836788 2.189042 -0.062398
H 3.251760 2.623041 -0.815545
H 4.184807 -1.497597 -0.709356
H 8.521400 -0.863577 -0.689091
H 8.188637 -1.177396 1.046453
H 8.320160 -2.572936 -0.109191


