%chk=000160884.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160884

0 1
 O    1.318700     -0.6248000      -2.129700    
 O    3.061000      -2.002600       1.836700    
 O   -1.487600      -1.821200       1.340300    
 O   -1.345800     -0.8692000      -2.402300    
 N  -0.1909000     -0.9420000     -0.3853000    
 N   0.7846000      -1.931300       1.531800    
 C    2.186000     -0.5254000      0.1246000    
 C    2.044900      0.8605000      0.7764000    
 C    2.171900       1.963600     -0.2678000    
 C    3.564800     -0.6183000     -0.5481000    
 C    1.971600       3.371900      0.3223000    
 C    1.082100     -0.6826000     -0.9216000    
 C    2.087100      -1.569800       1.223600    
 C    3.767900      -1.974900      -1.186700    
 C   0.6019000       3.460500       1.000100    
 C    2.096200       4.471100     -0.7337000    
 C  -0.3801000      -1.577500      0.8519000    
 C   -1.327400     -0.7435000      -1.178700    
 C   -2.537400     -0.2077000     -0.5053000    
 C   -2.398300      0.6303000      0.5954000    
 C   -3.798300     -0.5493000     -0.9811000    
 C   -3.534800       1.133300       1.228400    
 C   -4.934900     -4.6300001E-02 -0.3480000    
 C   -4.803200      0.7951000      0.7567000    
 H    1.079000      0.9175000       1.287300    
 H    2.808700      0.9977000       1.553200    
 H    3.168500       1.962900     -0.7193000    
 H    1.448700       1.828700      -1.079700    
 H    4.368100     -0.4384000      0.1775000    
 H    3.689600      0.1147000      -1.351000    
 H    2.743000       3.549000       1.082600    
 H    3.731700      -2.794700     -0.4642000    
 H    3.058500      -2.202700      -1.985000    
 H    4.764800      -2.009300      -1.642100    
 H   0.6634000      -2.517400       2.353200    
 H   0.5589000       2.868000       1.918300    
 H  -0.1993000       3.131600      0.3299000    
 H   0.3848000       4.494100       1.292700    
 H    1.330900       4.363600      -1.509800    
 H    1.986200       5.462600     -0.2820000    
 H    3.077400       4.431100      -1.218000    
 H   -1.427600      0.9429000      0.9678000    
 H   -3.917800      -1.207300      -1.837500    
 H   -3.432300       1.795000       2.083500    
 H   -5.922600     -0.3103000     -0.7147000    
 H   -5.688200       1.188100       1.248600    


%chk=000160884-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160884

0 1
O 0.526333 -0.323165 -1.735312
O 3.601531 -1.674370 1.728152
O -0.909476 -2.747103 1.971217
O -1.737500 -2.728069 -1.136719
N -0.194470 -1.461689 0.145791
N 1.345104 -2.164825 1.814654
C 2.157653 -0.538186 0.090783
C 2.105317 0.889891 0.792780
C 1.942400 2.095481 -0.157445
C 3.299526 -0.604330 -0.964264
C 1.791553 3.447850 0.596222
C 0.801676 -0.771235 -0.592162
C 2.452814 -1.512618 1.242665
C 3.479335 -1.996117 -1.605498
C 0.450317 3.548444 1.364497
C 1.921903 4.621892 -0.403515
C 0.014422 -2.162515 1.355539
C -1.535664 -1.662394 -0.526375
C -2.496094 -0.546081 -0.388911
C -2.224312 0.593922 0.412587
C -3.735174 -0.643222 -1.081763
C -3.179724 1.624116 0.520023
C -4.685377 0.388623 -0.973604
C -4.409695 1.524199 -0.172162
H 1.286484 0.883088 1.540107
H 3.053356 0.988674 1.356876
H 2.830135 2.161583 -0.814865
H 1.068562 1.953715 -0.822459
H 4.234654 -0.299190 -0.460070
H 3.073901 0.133337 -1.752702
H 2.619758 3.528875 1.332976
H 3.745961 -2.760001 -0.853186
H 2.563538 -2.319364 -2.132936
H 4.294933 -1.966887 -2.349727
H 1.517251 -2.729100 2.653807
H 0.346632 2.764465 2.137881
H -0.401393 3.457730 0.661931
H 0.364480 4.525525 1.874667
H 1.125599 4.570465 -1.170808
H 1.833807 5.596803 0.110732
H 2.896256 4.599560 -0.925978
H -1.276467 0.670056 0.954187
H -3.925947 -1.531183 -1.693087
H -2.970312 2.500667 1.142206
H -5.637943 0.313708 -1.508268
H -5.151243 2.326273 -0.087267


