%chk=000016856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016856

0 1
 O    2.397400      0.7540000      0.6421000    
 O   -3.575600     -0.5209000      -1.619800    
 O   -5.222300      -2.265300     -0.3745000    
 N   -4.642300      -1.192600      0.3155000    
 C    4.413300     -0.3244000     -6.9100000E-02
 C    3.035500     -0.5122000      0.5498000    
 C    5.152000      -1.652000     -0.2134000    
 C    1.028300      0.7631000      0.5742000    
 C   0.3774000       1.465500     -0.4340000    
 C   -1.750900      0.7601000      0.4658000    
 C   -1.016400       1.464200     -0.4885000    
 C   0.3022000      5.9000000E-02   1.528900    
 C   -1.091700      5.7500001E-02   1.474500    
 C   -3.241000      0.7581000      0.4079000    
 C    6.509700      -1.465500     -0.8714000    
 C    1.147600       2.225500      -1.462600    
 C   -3.823100     -0.3741000     -0.4255000    
 H    4.998000      0.3718000      0.5453000    
 H    4.306100      0.1582000      -1.048900    
 H    2.446700      -1.201900     -6.8899997E-02
 H    3.129000     -0.9371000       1.555800    
 H    4.555600      -2.347300     -0.8155000    
 H    5.288300      -2.111200      0.7726000    
 H   -1.533800       2.009500      -1.274400    
 H   0.8022000     -0.4854000       2.324800    
 H   -1.652900     -0.4948000       2.223700    
 H   -3.606200       1.698300     -2.5599999E-02
 H   -3.649000      0.7382000       1.426700    
 H    6.404600      -1.039400      -1.874300    
 H    7.144200     -0.7984000     -0.2791000    
 H    7.021800      -2.428400     -0.9634000    
 H    1.762800       2.995300     -0.9850000    
 H    1.796000       1.548200      -2.028400    
 H   0.4896000       2.727800      -2.179600    
 H   -4.763000      -1.175900       1.321700    
 H   -6.084000      -1.877000     -0.6029000    


%chk=000016856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016856

0 1
O 2.239817 0.230209 -0.419484
O -4.484805 1.173483 -0.950063
O -5.728280 -1.166296 -1.063263
N -4.884937 -0.831055 0.055079
C 4.537312 -0.527315 -0.381076
C 3.174898 -0.650638 0.304352
C 5.611456 -1.408446 0.298864
C 0.907188 0.284526 0.024897
C 0.055182 1.154010 -0.722137
C -1.817902 0.528781 0.771533
C -1.294703 1.258971 -0.329479
C 0.407871 -0.450066 1.125119
C -0.952825 -0.324397 1.489736
C -3.285169 0.673966 1.177909
C 6.988219 -1.292552 -0.389781
C 0.609799 1.930007 -1.898399
C -4.242772 0.380659 0.028263
H 4.853537 0.533368 -0.364291
H 4.431893 -0.814463 -1.444904
H 2.805127 -1.697294 0.266786
H 3.235045 -0.335309 1.367617
H 5.282256 -2.467726 0.289156
H 5.706668 -1.119532 1.365586
H -1.965632 1.912659 -0.899258
H 1.057473 -1.115434 1.700752
H -1.331183 -0.895320 2.346896
H -3.498121 1.711128 1.498923
H -3.504029 0.014748 2.038592
H 6.928819 -1.605802 -1.448857
H 7.355084 -0.249311 -0.368725
H 7.743035 -1.927143 0.109182
H 1.435848 2.594292 -1.583649
H 1.034514 1.249498 -2.659168
H -0.175160 2.542814 -2.372411
H -4.734693 -1.625642 0.673721
H -5.644730 -0.318883 -1.613518


