%chk=000147104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147104

0 1
 O   -5.216100      0.3770000      0.7862000    
 O   -3.001700      -2.231800     -3.0200001E-02
 N   0.4184000       1.131600     -0.6126000    
 N    2.330300       1.876800      0.2105000    
 N   0.8380000      -1.257200     -0.6141000    
 N    3.067200      -1.747600      0.2496000    
 N    4.568400     -3.2499999E-02  0.9793000    
 C  -0.9387000       1.163100      -1.156900    
 C    1.165500      2.4400000E-02 -0.3905000    
 C    2.357700      0.5074000      0.1247000    
 C   -1.967100       1.083600     -6.8300001E-02
 C    1.143000       2.219700     -0.2439000    
 C   -2.929400      0.1553000      0.1029000    
 C    3.329600     -0.4336000      0.4496000    
 C   -3.882800      0.2754000       1.268900    
 C   -3.137800      -1.038600     -0.7931000    
 C    1.855500      -2.073000     -0.2622000    
 H   -1.047300       2.113200      -1.693200    
 H   -1.004700      0.3680000      -1.902500    
 H   -1.922700       1.904500      0.6475000    
 H   0.7699000       3.231900     -0.3216000    
 H   -3.808200     -0.6052000       1.915400    
 H   -3.677500       1.159800       1.881500    
 H   -2.427200      -1.093300      -1.619000    
 H   -4.143900      -1.014300      -1.225100    
 H    1.679600      -3.133400     -0.4087000    
 H    5.258000     -0.7353000       1.208500    
 H    4.766200      0.9474000       1.130400    
 H   -5.797600      0.4338000       1.563500    
 H   -3.172700      -2.976400     -0.6317000    


%chk=000147104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147104

0 1
O -5.231079 -0.124544 0.820401
O -3.602012 -2.051866 -0.040087
N 0.373782 1.336974 -0.611989
N 2.417084 1.927440 0.263215
N 0.642687 -1.139020 -0.621242
N 2.843338 -1.825880 0.240474
N 4.469598 -0.284797 0.991977
C -1.012767 1.453936 -1.132278
C 1.059469 0.140926 -0.380934
C 2.319113 0.527818 0.154475
C -2.073411 1.348055 -0.050233
C 1.232664 2.368626 -0.203360
C -2.864862 0.263976 0.176566
C 3.228113 -0.524676 0.469895
C -3.897673 0.262349 1.296917
C -2.777268 -0.997424 -0.676958
C 1.600547 -2.054968 -0.281951
H -1.084334 2.431764 -1.642479
H -1.133810 0.668654 -1.897261
H -2.192079 2.232905 0.589816
H 0.944506 3.415871 -0.273204
H -3.562928 -0.424609 2.103433
H -4.005572 1.275753 1.717614
H -1.722405 -1.329945 -0.758134
H -3.172597 -0.793866 -1.695323
H 1.344173 -3.105996 -0.445959
H 5.078916 -1.073179 1.199975
H 4.769115 0.671888 1.168083
H -5.127770 -1.065732 0.501915
H -3.390638 -2.929731 -0.438464


