%chk=000050609.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050609

0 1
 O   -1.900100      -1.562600      0.2179000    
 O   -3.813100      -2.443300     -0.7118000    
 O   -5.270800       3.701400      0.2450000    
 C    3.276700     -0.6288000     -0.2731000    
 C    4.706600     -0.5033000      0.2605000    
 C    2.424700      -1.636900      0.5012000    
 C    5.536200      0.5578000     -0.4660000    
 C    1.017700      -1.744400     -9.2500001E-02
 C    6.929100      0.6916000      0.1541000    
 C   0.1542000      -2.730600      0.6995000    
 C    7.747100       1.777400     -0.5446000    
 C   -1.262200      -2.829600      0.1464000    
 C    9.119400       1.936100      9.0400003E-02
 C   -3.179600      -1.508600     -0.2466000    
 C   -3.730100     -0.1356000     -0.1181000    
 C   -5.031800      0.1360000     -0.5393000    
 C   -2.946000      0.8824000      0.4247000    
 C   -5.549300       1.425500     -0.4181000    
 C   -3.463500       2.172000      0.5459000    
 C   -4.765200       2.443500      0.1246000    
 H    3.315700     -0.9202000      -1.330000    
 H    2.792000      0.3547000     -0.2340000    
 H    4.664600     -0.2570000       1.328900    
 H    5.207900      -1.475700      0.1796000    
 H    2.361200      -1.329700       1.552000    
 H    2.909500      -2.620300      0.4795000    
 H    5.018100       1.523200     -0.4154000    
 H    5.624600      0.2926000      -1.526300    
 H    1.081300      -2.070200      -1.137700    
 H   0.5500000     -0.7526000     -9.0999998E-02
 H    6.834400      0.9343000       1.219700    
 H    7.455900     -0.2681000      8.6900003E-02
 H   0.6182000      -3.723500      0.6894000    
 H   0.1065000      -2.397000       1.743400    
 H    7.216100       2.735100     -0.4938000    
 H    7.866600       1.528400      -1.605400    
 H   -1.232900      -3.169200     -0.8958000    
 H   -1.830100      -3.556100      0.7391000    
 H    9.689800       1.003800      2.9700000E-02
 H    9.033800       2.218900       1.144500    
 H    9.687800       2.716400     -0.4255000    
 H   -5.658800     -0.6432000     -0.9645000    
 H   -1.928000      0.7155000      0.7653000    
 H   -6.565000       1.624200     -0.7495000    
 H   -2.848500       2.961200      0.9698000    
 H   -6.182300       3.708400     -9.4499998E-02


%chk=000050609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050609

0 1
O -1.952490 -1.517884 0.229541
O -3.783349 -2.443824 -0.879046
O -5.723236 3.638632 0.361624
C 3.359597 -0.545023 -0.248702
C 4.780178 -0.423152 0.347228
C 2.456466 -1.535335 0.520491
C 5.683404 0.569265 -0.419523
C 1.041720 -1.667001 -0.085762
C 7.108233 0.681235 0.168258
C 0.147256 -2.659100 0.690339
C 8.010693 1.675689 -0.597654
C -1.250165 -2.829097 0.094705
C 9.433605 1.777942 -0.006766
C -3.242804 -1.460458 -0.308890
C -3.870262 -0.125831 -0.123633
C -5.179346 0.074313 -0.632698
C -3.209156 0.944277 0.539147
C -5.821637 1.316789 -0.486369
C -3.841848 2.189568 0.691214
C -5.148495 2.374442 0.177444
H 3.433754 -0.865382 -1.309129
H 2.879145 0.455651 -0.260231
H 4.706896 -0.105969 1.408770
H 5.260891 -1.423986 0.355224
H 2.373833 -1.208816 1.578516
H 2.943104 -2.533436 0.540888
H 5.207502 1.572397 -0.420231
H 5.749697 0.256916 -1.482975
H 1.123898 -1.998326 -1.142264
H 0.550190 -0.674826 -0.105639
H 7.044042 0.992202 1.232274
H 7.586215 -0.320973 0.166574
H 0.627796 -3.659177 0.704092
H 0.054418 -2.336724 1.746052
H 7.533882 2.677254 -0.593085
H 8.071869 1.366222 -1.661165
H -1.219484 -3.099228 -0.977432
H -1.845236 -3.593849 0.626815
H 9.943162 0.795975 -0.029355
H 9.401827 2.114026 1.047028
H 10.057454 2.495313 -0.571342
H -5.675671 -0.759064 -1.140326
H -2.200975 0.785565 0.930960
H -6.834613 1.464816 -0.882397
H -3.350719 3.024813 1.198291
H -6.632842 3.677056 -0.026360


