%chk=000006545.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006545

0 1
 O    1.790500      0.2220000     -9.3400002E-02
 O   -2.771600      0.3961000     -0.1832000    
 O    3.242800      0.1743000     -0.1806000    
 O   -2.275000     -0.8054000      0.4718000    
 C  -0.1197000       1.543100     -0.7450000    
 C  -0.7711000       1.458000      0.6474000    
 C    1.421200       1.443700     -0.7362000    
 C   -2.315200       1.477400      0.6322000    
 C    1.939600       1.392100      -2.177700    
 C    2.080900       2.604600      1.1800000E-02
 C   -2.919100       1.319700       2.029500    
 C   -2.805000       2.783900     -2.0999999E-03
 C    3.614400      -1.039000      0.4572000    
 C   -2.726400      -1.883100     -0.3355000    
 C    2.958700      -2.200700     -0.2878000    
 C    5.136200      -1.147400      0.3890000    
 C    3.144100     -0.9887000       1.910200    
 C   -2.145700      -1.715800      -1.738900    
 C   -2.225700      -3.177100      0.3025000    
 C   -4.253800      -1.857700     -0.3713000    
 H  -0.4036000       2.480500      -1.236000    
 H  -0.5134000      0.7268000      -1.360400    
 H  -0.4202000       2.297400       1.260500    
 H  -0.4128000      0.5509000       1.148800    
 H    1.581500       2.251200      -2.755700    
 H    1.604800      0.4763000      -2.678700    
 H    3.033700       1.397100      -2.235000    
 H    1.901400       2.534700       1.090200    
 H    1.701100       3.568700     -0.3429000    
 H    3.169200       2.617100     -0.1165000    
 H   -4.006500       1.194500       1.973800    
 H   -2.701800       2.193300       2.653500    
 H   -2.527500      0.4401000       2.552000    
 H   -3.898200       2.848200      5.7100002E-02
 H   -2.386700       3.662300      0.4999000    
 H   -2.569800       2.834300      -1.070100    
 H    3.184300      -2.152600      -1.359400    
 H    3.311400      -3.164600      9.5100001E-02
 H    1.866700      -2.194600     -0.1973000    
 H    5.610000     -0.2903000      0.8811000    
 H    5.481000      -1.135800     -0.6515000    
 H    5.499400      -2.064300      0.8643000    
 H    2.051900     -0.9801000       1.997000    
 H    3.509100      -1.854300       2.473700    
 H    3.504400     -7.9099998E-02   2.404300    
 H   -1.054100      -1.625100      -1.699600    
 H   -2.392600      -2.575900      -2.371000    
 H   -2.519800     -0.8206000      -2.247300    
 H   -2.603100      -3.277700       1.326700    
 H   -1.131900      -3.177200      0.3749000    
 H   -2.535500      -4.057800     -0.2693000    
 H   -4.646100     -0.9743000     -0.8870000    
 H   -4.651400      -2.739200     -0.8861000    
 H   -4.666400      -1.836600      0.6439000    


%chk=000006545-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000006545

0 1
O 1.554429 0.271171 -0.340323
O -2.765780 0.453412 -0.089715
O 3.086128 0.010700 -0.240490
O -2.178094 -0.743176 0.711414
C -0.148791 1.853961 -0.771032
C -0.789270 1.817932 0.632313
C 1.398498 1.685827 -0.797616
C -2.336984 1.691241 0.628817
C 1.932669 1.821699 -2.239436
C 2.119405 2.651926 0.166246
C -2.889401 1.682723 2.069578
C -3.031882 2.775617 -0.226373
C 3.250379 -1.372564 0.296114
C -2.365505 -1.960118 -0.134963
C 2.681934 -2.402467 -0.702758
C 4.790696 -1.463855 0.386183
C 2.591875 -1.490267 1.686723
C -1.620262 -1.808599 -1.477318
C -1.705759 -3.032913 0.761135
C -3.871071 -2.232063 -0.335717
H -0.369996 2.813286 -1.279338
H -0.594761 1.050587 -1.386602
H -0.529983 2.732067 1.201683
H -0.382179 0.954996 1.188411
H 1.833739 2.864334 -2.593818
H 1.369641 1.162085 -2.923654
H 2.997301 1.536417 -2.278827
H 1.839995 2.442782 1.212337
H 1.845073 3.696645 -0.071445
H 3.212617 2.544448 0.076683
H -3.981637 1.521645 2.058398
H -2.679952 2.647371 2.567743
H -2.426434 0.873448 2.657920
H -4.128892 2.684356 -0.148155
H -2.734682 3.776549 0.135477
H -2.751857 2.689387 -1.289714
H 3.155631 -2.278641 -1.692518
H 2.871972 -3.431506 -0.345752
H 1.594298 -2.265713 -0.820367
H 5.189074 -0.692565 1.067943
H 5.250495 -1.327621 -0.608204
H 5.077349 -2.458158 0.773068
H 1.505603 -1.314133 1.613139
H 2.761741 -2.498146 2.108224
H 3.018323 -0.742597 2.378606
H -0.569214 -1.519014 -1.301159
H -1.639930 -2.763671 -2.033996
H -2.096077 -1.030625 -2.097638
H -2.190323 -3.064779 1.752618
H -0.630920 -2.821251 0.899252
H -1.812399 -4.024549 0.285993
H -4.343757 -1.386234 -0.862209
H -4.021432 -3.149702 -0.933672
H -4.373044 -2.358385 0.639689


