%chk=000023105.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023105

0 1
 O  -0.7400000       2.131600      0.3628000    
 O   -1.101700      -2.007500     -0.3612000    
 O   -1.827000       3.147300      -1.402500    
 O   -2.317500      -2.854600       1.406600    
 C    3.048000       2.208300      0.1502000    
 C    2.636100      -2.630300     -0.1529000    
 C    1.631900       1.915300      0.6717000    
 C    1.276400      -2.136300     -0.6731000    
 C   -3.188400      0.6572000      0.6506000    
 C   -3.254500     -0.1512000     -0.6511000    
 C   0.5239000       2.444300     -0.2310000    
 C   0.1047000      -2.499000      0.2314000    
 C   -3.095700       2.159700      0.3975000    
 C   -3.418700      -1.650000     -0.3971000    
 C    4.134000       1.611900       1.046700    
 C    3.253400       3.719700      2.5000000E-02
 C    3.795500      -2.197800      -1.051400    
 C    2.621100      -4.155500     -2.6300000E-02
 C   -1.835100       2.545600     -0.3362000    
 C   -2.246400      -2.258600      0.3405000    
 H    3.155000       1.761500     -0.8465000    
 H    2.807800      -2.202700      0.8431000    
 H    1.501500      0.8328000      0.7959000    
 H    1.506100       2.335700       1.678300    
 H    1.303300      -1.046500     -0.7983000    
 H    1.089900      -2.535100      -1.679100    
 H   -2.335500      0.3271000       1.254600    
 H   -4.090000      0.4596000       1.243300    
 H   -2.356100      2.8700000E-02  -1.252600    
 H   -4.107800      0.1949000      -1.247000    
 H   0.5869000       3.531500     -0.3374000    
 H   0.5878000       1.975500      -1.219700    
 H   1.0100000E-02  -3.583800      0.3388000    
 H   0.2371000      -2.043500       1.219500    
 H   -3.955500       2.495600     -0.1936000    
 H   -3.120300       2.711500       1.343700    
 H   -4.324600      -1.833700      0.1921000    
 H   -3.537400      -2.187900      -1.344500    
 H    4.008800      0.5275000       1.133800    
 H    5.130400       1.802100      0.6343000    
 H    4.094500       2.038900       2.054400    
 H    4.293400       3.946800     -0.2350000    
 H    2.633300       4.149500     -0.7671000    
 H    3.024300       4.235000      0.9641000    
 H    3.828000      -1.106800      -1.139700    
 H    4.754600      -2.529400     -0.6400000    
 H    3.693500      -2.615700      -2.058600    
 H    3.617800      -4.530100      0.2327000    
 H    1.946500      -4.490400      0.7670000    
 H    2.318800      -4.633100     -0.9645000    


%chk=000023105-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023105

0 1
O -0.797225 2.192334 0.404048
O -1.104434 -2.010553 -0.388594
O -1.856041 3.226261 -1.394555
O -2.319110 -2.885864 1.395609
C 3.038710 2.100517 0.163579
C 2.694318 -2.561244 -0.166336
C 1.596417 1.961238 0.724526
C 1.294064 -2.166065 -0.710483
C -3.310959 0.677656 0.659503
C -3.355758 -0.131715 -0.655094
C 0.523956 2.513143 -0.215657
C 0.148107 -2.539338 0.230780
C -3.202585 2.207000 0.420327
C -3.483445 -1.659543 -0.417643
C 4.043072 1.404726 1.112566
C 3.439985 3.579072 -0.063413
C 3.796875 -2.022905 -1.108828
C 2.843251 -4.091101 0.023149
C -1.928386 2.607811 -0.307039
C -2.289832 -2.254136 0.313731
H 3.076353 1.579388 -0.818186
H 2.825435 -2.077680 0.826671
H 1.378640 0.891298 0.912883
H 1.529856 2.479414 1.701436
H 1.263823 -1.071829 -0.881895
H 1.130688 -2.649120 -1.694286
H -2.452167 0.353559 1.276017
H -4.227175 0.478473 1.249489
H -2.443639 0.060603 -1.249618
H -4.217370 0.201691 -1.266500
H 0.585505 3.607940 -0.346094
H 0.564204 2.044018 -1.217182
H 0.034069 -3.629999 0.361047
H 0.262729 -2.082977 1.232394
H -4.052067 2.572310 -0.182192
H -3.221990 2.728027 1.396418
H -4.382148 -1.891150 0.179643
H -3.577620 -2.170451 -1.394852
H 3.792781 0.336160 1.252284
H 5.072922 1.464065 0.714661
H 4.037625 1.887142 2.109022
H 4.489551 3.651931 -0.403047
H 2.808991 4.071322 -0.825467
H 3.349175 4.154832 0.878112
H 3.727051 -0.925035 -1.226238
H 4.804033 -2.260420 -0.719523
H 3.707105 -2.477830 -2.114092
H 3.864475 -4.344719 0.362440
H 2.135884 -4.492086 0.771492
H 2.664505 -4.620573 -0.932813


