%chk=000005498.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005498

0 1
 O   0.4818000       1.771800     -0.2445000    
 O   -4.764700      0.8923000      0.2171000    
 O   -4.334200      3.2499999E-02  -1.849600    
 O   0.6258000      0.5941000       1.737600    
 C   -1.717100     -0.6060000     -0.2636000    
 C   -3.211200     -0.8844000      0.1032000    
 C   -1.451300      0.7029000      0.5249000    
 C   -3.279600     -0.5387000       1.602300    
 C   -2.231000      0.5549000       1.835600    
 C  -0.7881000      -1.755700      0.1981000    
 C   -1.480900     -0.4011000      -1.770200    
 C   -3.703100      -2.310400     -0.1608000    
 C   -4.150700      4.1900001E-02 -0.6414000    
 C  -2.4000001E-03  0.9982000      0.7685000    
 C    1.862900       2.131200     -0.1376000    
 C    2.703700      0.8770000     -0.1154000    
 C    2.238500       3.052300      -1.293000    
 C    3.458800      0.5852000       1.009300    
 C    2.704400      4.1000001E-02  -1.220600    
 C    4.235400     -0.5733000       1.029300    
 C    3.480900      -1.117500      -1.200300    
 C    4.246300      -1.424600     -7.5400002E-02
 C    5.075900      -2.663700     -5.3399999E-02
 H   -1.882400       1.563700     -6.5000001E-03
 H   -2.971700      -1.416000       2.188400    
 H   -4.261400     -0.2787000       2.011400    
 H   -2.719100       1.504000       2.087000    
 H   -1.605500      0.2916000       2.695300    
 H   0.2634000      -1.533200     -1.0700000E-02
 H  -0.8734000      -1.955400       1.270700    
 H   -1.014900      -2.685400     -0.3352000    
 H   -1.874500      -1.239800      -2.353800    
 H   -1.930900      0.5240000      -2.143600    
 H  -0.4102000     -0.3283000      -1.991400    
 H   -3.561500      -2.594600      -1.209200    
 H   -3.186100      -3.047700      0.4617000    
 H   -4.774200      -2.401900      5.6699999E-02
 H   -5.376000       1.503200     -0.2468000    
 H    1.993800       2.702200      0.7914000    
 H    2.007700       2.606700      -2.266700    
 H    3.301400       3.314100      -1.271000    
 H    1.652600       3.976800      -1.237800    
 H    3.461300       1.241200       1.875100    
 H    2.107700      0.2594000      -2.101000    
 H    4.826400     -0.8024000       1.912100    
 H    3.477700      -1.775300      -2.065500    
 H    4.492700      -3.498900      0.3469000    
 H    5.420500      -2.926400      -1.059300    
 H    5.969300      -2.530400      0.5662000    


%chk=000005498-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005498

0 1
O 0.465267 1.754874 -0.132219
O -4.297656 1.103809 -0.743883
O -4.520976 -0.827817 -1.984998
O 0.309501 1.132314 2.111820
C -1.719148 -0.618111 -0.021808
C -3.279503 -0.947006 0.170522
C -1.631887 0.838574 0.596674
C -3.613143 -0.318059 1.563050
C -2.610207 0.848848 1.803041
C -0.859732 -1.614592 0.800822
C -1.266513 -0.663905 -1.498952
C -3.613654 -2.456006 0.108636
C -4.078347 -0.273330 -0.953764
C -0.217000 1.238144 0.977772
C 1.932467 2.098666 0.067809
C 2.772465 0.847532 -0.144049
C 2.205402 3.243186 -0.910890
C 3.431867 0.243613 0.954021
C 2.912318 0.255319 -1.425355
C 4.222066 -0.913038 0.774542
C 3.696541 -0.903553 -1.600038
C 4.366518 -1.509077 -0.504064
C 5.187517 -2.773095 -0.692097
H -1.979741 1.544197 -0.176774
H -3.490048 -1.099991 2.334655
H -4.660717 0.023173 1.610911
H -3.127099 1.820909 1.863416
H -2.047414 0.707761 2.741986
H 0.205096 -1.323996 0.753931
H -1.147815 -1.640865 1.866432
H -0.938087 -2.635343 0.388648
H -1.483441 -1.652676 -1.943827
H -1.773887 0.102064 -2.112964
H -0.180437 -0.482208 -1.572153
H -3.311211 -2.900386 -0.854876
H -3.115994 -2.998116 0.928879
H -4.702662 -2.610221 0.211120
H -4.814691 1.457865 -1.518723
H 2.036704 2.438466 1.114132
H 2.017648 2.935695 -1.953856
H 3.259246 3.563584 -0.829727
H 1.554971 4.105109 -0.684010
H 3.314043 0.676122 1.954213
H 2.404311 0.698832 -2.289817
H 4.728547 -1.361778 1.637762
H 3.794133 -1.346178 -2.599068
H 4.559312 -3.676427 -0.565359
H 5.630984 -2.822272 -1.702272
H 6.006885 -2.838208 0.045246


