%chk=000004788.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004788

0 1
 O   -1.005100       1.471600       1.950800    
 O   -2.059200      -1.723100       1.597300    
 O   -2.428000       2.292500      -1.005100    
 O   -5.727900      -1.122200      -1.380900    
 O    6.422300     -0.6846000      -1.369500    
 C    1.537400      0.4245000       1.225900    
 C   0.3720000      0.4857000      0.2358000    
 C    2.842300      0.1282000      0.5329000    
 C  -0.9779000      0.7953000      0.9046000    
 C   -2.213000      0.2969000      0.3104000    
 C    3.243400      -1.189400      0.3695000    
 C    3.621700       1.177800      6.9799997E-02
 C   -2.710900     -0.9522000      0.6815000    
 C   -2.896500       1.069200     -0.6287000    
 C   -3.892300      -1.428800      0.1134000    
 C   -4.077900      0.5925000      -1.196800    
 C    4.451300      -1.463700     -0.2718000    
 C    4.829700      0.9036000     -0.5715000    
 C   -4.575800     -0.6565000     -0.8257000    
 C    5.244500     -0.4172000     -0.7421000    
 H    1.338400     -0.3367000       1.991600    
 H    1.620800       1.371700       1.774600    
 H   0.5473000       1.265400     -0.5153000    
 H   0.2841000     -0.4706000     -0.2942000    
 H    2.631500      -2.011100      0.7308000    
 H    3.306300       2.209600      0.1962000    
 H   -4.275200      -2.403400      0.4065000    
 H   -4.616800       1.188000      -1.929700    
 H    4.762700      -2.497000     -0.3993000    
 H    5.442800       1.722900     -0.9367000    
 H   -1.265200      -1.270000       1.923300    
 H   -3.032800       2.676500      -1.662900    
 H   -5.924300      -1.999900      -1.010500    
 H    6.551100      -1.648200      -1.400400    


%chk=000004788-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004788

0 1
O -0.904627 -0.460980 2.356625
O -3.356440 -0.580638 2.525544
O -1.264029 0.111887 -1.831912
O -6.055056 -0.111185 -1.461868
O 6.538336 0.600909 -1.620183
C 1.625057 -0.182931 1.316701
C 0.411485 -0.122436 0.357257
C 2.935758 0.000244 0.565735
C -0.922500 -0.278169 1.067172
C -2.218471 -0.232491 0.378297
C 3.727432 -1.111535 0.186130
C 3.389672 1.294864 0.194849
C -3.428937 -0.391406 1.174065
C -2.406833 -0.040404 -1.033208
C -4.713301 -0.355206 0.585262
C -3.679832 -0.002878 -1.622631
C 4.928584 -0.947892 -0.540728
C 4.583859 1.480075 -0.529181
C -4.824557 -0.160763 -0.802766
C 5.353493 0.353087 -0.899004
H 1.614170 -1.148978 1.852264
H 1.505158 0.595763 2.092128
H 0.407734 0.827135 -0.211505
H 0.493907 -0.898535 -0.428055
H 3.406090 -2.122021 0.466705
H 2.802549 2.174709 0.486770
H -5.585406 -0.480120 1.234853
H -3.815922 0.144354 -2.699104
H 5.527888 -1.825154 -0.818865
H 4.937110 2.477198 -0.808616
H -2.327240 -0.574834 2.767825
H -1.518947 0.239149 -2.780175
H -6.804824 -0.227800 -0.826514
H 7.009441 -0.245714 -1.820067


