%chk=000168073.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168073

0 1
 O   -1.535700      0.7338000       1.001600    
 O   -4.040900     -0.4879000      0.6520000    
 O    1.437000       2.949300      0.6106000    
 O   0.1575000       2.395700      -1.085200    
 N   0.7193000     -0.3402000     -0.4392000    
 N    2.638300      0.4194000      0.3359000    
 N   0.9977000       2.078400     -0.1946000    
 C  -0.6486000     -0.3353000     -0.9577000    
 C   -1.694300     -0.4075000      0.1567000    
 C    1.473400      -1.445100     -0.2151000    
 C    1.444400      0.7554000     -9.9799998E-02
 C    2.662800     -0.9511000      0.2665000    
 C   -3.107400     -0.3894000     -0.4181000    
 C    1.012500      -2.821500     -0.4701000    
 C    3.863500      -1.695500      0.6784000    
 C   -5.379500     -0.4582000      0.1781000    
 H  -0.7980000      0.5132000      -1.623100    
 H  -0.7474000      -1.214000      -1.606700    
 H   -1.546000      -1.293300      0.7845000    
 H   -3.248600      -1.230800      -1.106100    
 H   -3.284500      0.5511000     -0.9538000    
 H   7.2200000E-02  -3.029700      4.9600001E-02
 H   0.8649000      -2.990900      -1.541500    
 H    1.746200      -3.555000     -0.1202000    
 H    4.661400      -1.015100      0.9925000    
 H    3.636600      -2.359100       1.518800    
 H    4.245100      -2.302400     -0.1487000    
 H   -2.221800      0.6839000       1.689200    
 H   -6.050700     -0.5406000       1.037200    
 H   -5.567900      -1.301100     -0.4939000    
 H   -5.584500      0.4864000     -0.3350000    


%chk=000168073-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168073

0 1
O -1.453897 0.531550 0.964258
O -3.973545 -0.569894 0.683434
O 1.461675 3.058556 0.513742
O 0.137530 2.431324 -1.241833
N 0.713178 -0.310636 -0.598994
N 2.571697 0.458698 0.477271
N 0.976431 2.168926 -0.276184
C -0.664646 -0.367839 -1.124678
C -1.691522 -0.550344 0.011000
C 1.492883 -1.429630 -0.271515
C 1.409075 0.799934 -0.112001
C 2.642052 -0.928367 0.383110
C -3.131811 -0.482187 -0.516552
C 1.104868 -2.839027 -0.603519
C 3.820702 -1.693351 0.917680
C -5.389919 -0.322408 0.407292
H -0.856638 0.577343 -1.653961
H -0.733790 -1.210696 -1.834289
H -1.548934 -1.532878 0.512428
H -3.353102 -1.320857 -1.212630
H -3.304072 0.484801 -1.037419
H 0.184230 -3.159412 -0.079635
H 0.939059 -2.983617 -1.688471
H 1.914320 -3.521187 -0.297958
H 4.518374 -0.986195 1.393181
H 3.518992 -2.440507 1.675197
H 4.366245 -2.228874 0.118287
H -2.237060 0.558036 1.574876
H -5.910169 -0.398120 1.374357
H -5.800097 -1.079504 -0.292384
H -5.545111 0.689262 -0.021291


