%chk=000096330.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096330

0 1
 O   -2.797100     -0.2789000      0.5507000    
 O    2.655300     -3.0900000E-02 -0.4785000    
 O   -2.217900      -1.024700      -1.554300    
 O    2.626600     -0.6796000       1.735500    
 C   0.3636000      -1.759600     -0.6875000    
 C  -0.6295000      -1.126300      0.2847000    
 C    1.679500      -2.104600      6.8999999E-03
 C   -3.765000      0.6440000      4.0700000E-02
 C    3.315900       1.185600     -0.1150000    
 C   -1.953100     -0.8191000     -0.3778000    
 C    2.369000     -0.8765000      0.5559000    
 C   -3.046100       1.793500     -0.6489000    
 C   -4.644600       1.129100       1.182800    
 C    2.449700       1.949300      0.8750000    
 C    3.593600       1.998700      -1.370200    
 H  -6.5800004E-02  -2.677300      -1.108000    
 H   0.5393000      -1.082600      -1.532400    
 H  -0.8180000      -1.811300       1.119000    
 H  -0.2326000     -0.1844000      0.6783000    
 H    1.501300      -2.797900      0.8369000    
 H    2.365200      -2.603700     -0.6868000    
 H   -4.405400      0.1206000     -0.6802000    
 H    4.280500      0.9391000      0.3463000    
 H   -2.299600       2.242600      1.6100001E-02
 H   -2.515700       1.474800      -1.550900    
 H   -3.754800       2.572700     -0.9484000    
 H   -4.045500       1.630600       1.950900    
 H   -5.136100      0.2812000       1.671800    
 H   -5.413500       1.822200      0.8286000    
 H    1.393300       1.922800      0.5857000    
 H    2.522600       1.570300       1.897100    
 H    2.761500       2.998700      0.9287000    
 H    2.660100       2.249700      -1.886000    
 H    4.195400       1.416200      -2.076000    
 H    4.127200       2.925200      -1.137800    


%chk=000096330-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096330

0 1
O -2.796952 0.168705 0.601139
O 3.031043 -0.029775 -0.483002
O -2.495233 -0.892894 -1.457395
O 2.448615 -0.669837 1.687192
C 0.274815 -1.436815 -0.848044
C -0.685431 -0.903573 0.233948
C 1.616253 -1.954160 -0.258737
C -4.200987 0.565862 0.206811
C 3.799657 1.153486 0.057675
C -2.056833 -0.562264 -0.329336
C 2.392345 -0.854659 0.447278
C -4.133105 1.850419 -0.631070
C -4.961708 0.718175 1.525433
C 2.817937 2.305224 0.315406
C 4.860544 1.460863 -1.001033
H -0.216429 -2.262596 -1.393071
H 0.481926 -0.646585 -1.592120
H -0.825355 -1.659429 1.032931
H -0.280594 -0.010531 0.743706
H 1.425314 -2.755788 0.476041
H 2.233825 -2.360282 -1.078941
H -4.609936 -0.260955 -0.403852
H 4.259518 0.829054 1.009943
H -3.655628 2.663699 -0.056133
H -3.561734 1.681012 -1.559022
H -5.153384 2.173197 -0.908811
H -4.511240 1.512225 2.146574
H -4.945923 -0.223859 2.099657
H -6.014459 0.987408 1.323448
H 2.287342 2.578090 -0.614187
H 2.079145 2.025071 1.085130
H 3.366985 3.194615 0.675580
H 4.387297 1.733372 -1.960817
H 5.511716 0.586299 -1.169813
H 5.489953 2.306727 -0.669609


