%chk=000041970.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041970

0 1
 O    3.013800      -2.658300     -1.3700000E-02
 O    4.001300       2.011000     -0.1026000    
 C   -3.816700     -0.1556000     -0.2131000    
 C   -2.914000       1.081300     -0.2681000    
 C   -5.288100      0.2393000     -6.8599999E-02
 C   -1.446400      0.7168000     -0.4439000    
 C   -6.194100     -0.9916000     -4.5800000E-02
 C  -0.5781000      0.5527000      0.5842000    
 C   0.8496000      0.2465000      0.3597000    
 C   -1.026900      0.6004000      -1.891200    
 C  -0.9360000      0.6769000       2.042700    
 C   -7.659600     -0.6025000      6.5200001E-02
 C    1.751400       1.288300      0.2346000    
 C    1.251600      -1.074900      0.2799000    
 C    2.599700      -1.364300      6.7900002E-02
 C    3.099500      0.9991000      2.2700001E-02
 C    3.523700     -0.3271000     -6.0600001E-02
 C    4.405900      -2.882000     -0.2316000    
 C    5.363200       1.643900     -0.3177000    
 H   -3.524000     -0.7940000      0.6296000    
 H   -3.688100     -0.7512000      -1.125200    
 H   -3.056900       1.689400      0.6326000    
 H   -3.224600       1.730700      -1.097000    
 H   -5.425900      0.8156000      0.8543000    
 H   -5.576300      0.8906000     -0.9027000    
 H   -5.926200      -1.635200      0.8002000    
 H   -6.047800      -1.579200     -0.9597000    
 H   -1.637200     -0.1545000      -2.398100    
 H   1.6700000E-02  0.3158000      -2.042400    
 H   -1.176300       1.558900      -2.400300    
 H  -0.5402000       1.611800       2.453900    
 H   -2.013600      0.6582000       2.224000    
 H  -0.5155000     -0.1556000       2.618700    
 H   -7.967400      1.4200000E-02 -0.7851000    
 H   -7.847000     -3.8699999E-02  0.9847000    
 H   -8.289200      -1.497600      8.1200004E-02
 H    1.426900       2.323900      0.2987000    
 H   0.5360000      -1.887400      0.3794000    
 H    4.567100     -0.5509000     -0.2246000    
 H    5.011000      -2.509300      0.6021000    
 H    4.733000      -2.484900      -1.198700    
 H    4.554500      -3.966400     -0.2694000    
 H    5.937600       2.573200     -0.3936000    
 H    5.494000       1.113400      -1.267100    
 H    5.771900       1.089000      0.5338000    


%chk=000041970-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041970

0 1
O 3.259591 -2.711336 0.674151
O 3.809564 2.002828 -0.811173
C -3.846147 -0.023823 -0.256332
C -2.910250 1.185450 0.025724
C -5.341663 0.307664 -0.054623
C -1.441439 0.888077 -0.274854
C -6.273911 -0.895374 -0.325519
C -0.583833 0.350496 0.654764
C 0.869962 0.094302 0.368678
C -1.052529 1.171041 -1.719153
C -1.013916 -0.026630 2.068858
C -7.766812 -0.561823 -0.114604
C 1.707606 1.133073 -0.111553
C 1.439998 -1.177895 0.629790
C 2.813125 -1.405637 0.393856
C 3.080799 0.894589 -0.338732
C 3.658509 -0.376387 -0.092883
C 4.671634 -3.013228 0.443827
C 5.241282 1.825835 -1.050141
H -3.558007 -0.865172 0.405621
H -3.683236 -0.377739 -1.295006
H -3.053121 1.512418 1.073048
H -3.239399 2.033069 -0.610067
H -5.502115 0.667636 0.983705
H -5.626406 1.148777 -0.721369
H -5.983872 -1.736363 0.336965
H -6.116313 -1.250989 -1.364360
H -1.828868 0.772067 -2.401988
H -0.084793 0.727007 -1.998956
H -0.995988 2.261379 -1.912579
H -0.419437 0.527706 2.820725
H -2.080889 0.169955 2.257628
H -0.836229 -1.102014 2.262468
H -8.088040 0.258172 -0.784593
H -7.957258 -0.237325 0.925979
H -8.411029 -1.436949 -0.318663
H 1.311108 2.135519 -0.293358
H 0.832520 -2.011377 0.993329
H 4.721249 -0.556377 -0.269087
H 5.329209 -2.388114 1.080137
H 4.947649 -2.876290 -0.620684
H 4.788459 -4.071288 0.721441
H 5.598134 2.806551 -1.398121
H 5.431430 1.063616 -1.831831
H 5.775968 1.544605 -0.121166


