%chk=000120913.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120913

0 1
 O    4.193400      -1.525800      -1.051400    
 N    2.982900      0.2571000     -0.2298000    
 N   0.2146000      0.2159000      0.2063000    
 C    2.122700      0.4660000      -1.378400    
 C    2.457800       1.116300      0.8191000    
 C    1.961700       1.991000      -1.397400    
 C    2.180600       2.423300      6.3600004E-02
 C   0.7860000     -0.2361000      -1.079600    
 C    1.151600      0.4737000       1.320300    
 C    3.951700     -0.7203000     -0.1510000    
 C   -1.134700      0.1804000      0.4224000    
 C    4.741100     -0.7533000       1.131700    
 C   -2.079700     -0.2374000     -0.4311000    
 C    5.755800      -1.876300       1.128300    
 C   -3.525800     -0.2673000     -0.1548000    
 C   -4.311100      -1.242400     -0.7492000    
 C   -4.075100      0.6799000      0.6950000    
 C   -5.680900      -1.271200     -0.4872000    
 C   -5.444800      0.6511000      0.9571000    
 C   -6.247700     -0.3244000      0.3660000    
 H    2.568000      7.7699997E-02  -2.299600    
 H    3.159100       1.259400       1.644700    
 H   0.9928000       2.316200      -1.789700    
 H    2.739900       2.443600      -2.023700    
 H    3.057600       3.079700      0.1135000    
 H    1.329000       2.980100      0.4675000    
 H   0.1196000     -1.9400001E-02  -1.921500    
 H   0.9340000      -1.322300      -1.034700    
 H    1.370600     -0.4806000       1.815100    
 H   0.6931000       1.135400       2.065500    
 H   -1.398100      0.5198000       1.419000    
 H    5.255300      0.2058000       1.256300    
 H    4.053800     -0.8949000       1.972500    
 H   -1.815600     -0.6238000      -1.411100    
 H    6.314500      -1.885300       2.069600    
 H    6.475100      -1.760600      0.3105000    
 H    5.270100      -2.851400       1.014700    
 H   -3.883500      -1.987700      -1.414700    
 H   -3.481000       1.463000       1.157500    
 H   -6.306100      -2.030800     -0.9472000    
 H   -5.887300       1.390500       1.618200    
 H   -7.314400     -0.3462000      0.5694000    


%chk=000120913-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120913

0 1
O 4.238322 -1.561477 -1.075311
N 3.026240 0.215649 -0.221475
N 0.210562 0.378626 0.145353
C 2.153046 0.395186 -1.406978
C 2.487920 1.164169 0.783648
C 2.067684 1.946056 -1.522197
C 2.284839 2.460938 -0.057317
C 0.771380 -0.229460 -1.081469
C 1.136901 0.586169 1.282446
C 4.001135 -0.763040 -0.114068
C -1.156691 0.293376 0.412887
C 4.776853 -0.809406 1.213794
C -2.122620 -0.300019 -0.367070
C 5.918305 -1.841447 1.181802
C -3.566323 -0.281916 -0.089932
C -4.432076 -1.084947 -0.892433
C -4.169621 0.497818 0.944525
C -5.823611 -1.122061 -0.667361
C -5.559326 0.455809 1.173312
C -6.399975 -0.354228 0.371343
H 2.600169 -0.108618 -2.277476
H 3.173582 1.296906 1.634893
H 1.092356 2.262798 -1.928180
H 2.859617 2.319238 -2.193418
H 3.182518 3.099352 0.008738
H 1.421269 3.042270 0.308310
H 0.073116 -0.032096 -1.914759
H 0.880440 -1.331532 -0.978336
H 1.336950 -0.368742 1.820359
H 0.662473 1.284220 1.997473
H -1.441870 0.783513 1.352955
H 5.178761 0.199183 1.438710
H 4.069512 -1.050297 2.033829
H -1.821538 -0.859989 -1.261362
H 6.431252 -1.881177 2.159745
H 6.657631 -1.585953 0.404137
H 5.529963 -2.844893 0.940898
H -3.997257 -1.691346 -1.697526
H -3.551207 1.155190 1.567219
H -6.459327 -1.750926 -1.301627
H -5.994070 1.065274 1.974624
H -7.480680 -0.379771 0.548994


