%chk=000006518.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006518

0 1
 O    2.356900      0.7105000     -0.1455000    
 O   0.6888000      -2.349800      0.1549000    
 O   -2.360200     -0.6750000     -0.1576000    
 O  -0.6794000       2.356400      0.1422000    
 O    3.277600      0.8880000      -2.151100    
 O   0.9522000      -3.242100       2.163500    
 O   -3.268500     -0.9733000      -2.153600    
 O  -0.9727000       3.243300       2.150000    
 O    4.524400       1.360900     -0.3641000    
 O    1.336200      -4.518100      0.3757000    
 O   -4.538900      -1.296200     -0.3500000    
 O   -1.297500       4.533400      0.3607000    
 N    3.492900       1.016200     -0.9452000    
 N    1.023800      -3.476100      0.9564000    
 N   -3.496000      -1.013100     -0.9438000    
 N   -1.014200       3.483900      0.9429000    
 C  -1.0700000E-02 -6.0000001E-03 -1.3700000E-02
 C    1.217300      0.3232000     -0.9022000    
 C   0.3434000      -1.196800      0.9121000    
 C   -1.207100     -0.3639000     -0.9306000    
 C  -0.3685000       1.194500      0.8989000    
 H    1.459900     -0.5571000      -1.512600    
 H   0.9406000       1.142300      -1.580200    
 H    1.186700     -0.9125000       1.556200    
 H  -0.5212000      -1.421600       1.551200    
 H  -0.9349000      -1.224400      -1.556300    
 H   -1.421000      0.4913000      -1.585700    
 H   -1.227700      0.9224000       1.526800    
 H   0.4853000       1.405800       1.557000    


%chk=000006518-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006518

0 1
O 2.311922 0.677795 -0.014761
O 0.681916 -2.318746 0.028576
O -2.315324 -0.685255 -0.022381
O -0.682824 2.308019 0.002579
O 3.522040 0.996938 -2.042522
O 1.005038 -3.513030 2.065044
O -3.511723 -1.028972 -2.054236
O -1.019967 3.521085 2.025663
O 4.535905 1.326843 -0.007848
O 1.331377 -4.542599 0.037699
O -4.539436 -1.333857 -0.022611
O -1.331920 4.531948 -0.013313
N 3.592098 1.038483 -0.779618
N 1.044190 -3.592897 0.802647
N -3.590387 -1.054926 -0.791417
N -1.050238 3.589299 0.762335
C -0.001143 -0.005597 -0.001514
C 1.195536 0.335893 -0.931104
C 0.341751 -1.195213 0.936761
C -1.192388 -0.355495 -0.935099
C -0.349479 1.192758 0.923409
H 1.476282 -0.533827 -1.549302
H 0.962735 1.203598 -1.571852
H 1.210484 -0.957813 1.574414
H -0.527012 -1.471051 1.558507
H -0.957008 -1.230481 -1.564907
H -1.467721 0.507791 -1.564666
H -1.222551 0.961675 1.557456
H 0.515348 1.473735 1.548358


