%chk=000135686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135686

0 1
 O   -1.234500      -1.691200      0.5708000    
 O   0.1885000       2.639100     -5.9500001E-02
 N  -0.4568000      0.4728000      0.2828000    
 N   -2.645600     -0.1371000     -0.3670000    
 N  -0.7537000       1.852100     -0.1992000    
 C    1.824100     -0.2438000     -0.2571000    
 C   0.8619000      0.2018000      0.8427000    
 C    3.220200     -0.5130000      0.3058000    
 C    4.175000     -0.9910000     -0.7766000    
 C   -1.431300     -0.5327000      0.1898000    
 C   -3.747800      -1.057000     -0.5325000    
 H    1.886300      0.5260000      -1.036200    
 H    1.439100      -1.149700     -0.7418000    
 H   0.7660000     -0.6009000       1.583900    
 H    1.237900       1.079100       1.380700    
 H    3.163600      -1.272300       1.094500    
 H    3.619800      0.4003000      0.7619000    
 H    5.166700      -1.176300     -0.3524000    
 H    3.819900      -1.922100      -1.229700    
 H    4.278300     -0.2412000      -1.567500    
 H   -2.783100      0.8126000     -0.6926000    
 H   -3.467500      -1.816700      -1.266800    
 H   -4.620400     -0.5010000     -0.8823000    
 H   -3.966700      -1.538200      0.4244000    


%chk=000135686-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135686

0 1
O -1.240327 -1.667751 0.662023
O 0.091244 2.636838 -0.299936
N -0.478551 0.516626 0.222920
N -2.678624 -0.131982 -0.387241
N -0.831161 1.749052 -0.324705
C 1.867444 -0.254663 -0.276619
C 0.859782 0.237988 0.788749
C 3.255618 -0.521651 0.348231
C 4.280350 -1.023761 -0.691407
C -1.498453 -0.527429 0.187060
C -3.821053 -1.041665 -0.510562
H 1.959985 0.503284 -1.078184
H 1.480724 -1.184309 -0.736601
H 0.723035 -0.528796 1.568572
H 1.216996 1.179451 1.243895
H 3.154224 -1.269717 1.160394
H 3.631737 0.408682 0.819977
H 5.265146 -1.211431 -0.226156
H 3.941377 -1.967322 -1.158359
H 4.423605 -0.280954 -1.498393
H -2.730082 0.834310 -0.723656
H -4.114542 -1.165668 -1.568820
H -4.690570 -0.666963 0.060063
H -3.528004 -2.022571 -0.105146


