%chk=000051291.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051291

0 1
 O    1.016000       2.748600      0.4518000    
 N    1.372200      0.7432000     -1.5400000E-02
 N   0.9052000       1.899800     -0.4382000    
 N   -3.162200     -0.2667000      -1.066300    
 C   0.5744000     -0.4358000     -0.4373000    
 C    1.083600      -1.723600      0.2635000    
 C  -0.9274000     -0.3076000     -0.1804000    
 C    2.811700      0.5683000     -0.2986000    
 C    2.575300      -1.833500      0.3017000    
 C    3.363300     -0.7870000      3.3799998E-02
 C   -1.406100     -0.1277000       1.104100    
 C   -1.823700     -0.3712000      -1.224700    
 C   -2.777100     -1.5600000E-02   1.307200    
 C   -3.605200     -9.1100000E-02  0.1989000    
 H   0.7215000     -0.5708000      -1.520800    
 H   0.6801000      -2.597000     -0.2651000    
 H   0.7299000      -1.794400       1.299300    
 H    3.380500       1.306200      0.2829000    
 H    3.023900      0.7594000      -1.360000    
 H    3.016600      -2.792500      0.5539000    
 H    4.442000     -0.9091000      5.0600000E-02
 H  -0.7376000     -6.2600002E-02   1.957400    
 H   -1.500200     -0.5117000      -2.250800    
 H   -3.184500      0.1284000       2.301300    
 H   -4.682000     -8.7000001E-03  0.3036000    


%chk=000051291-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051291

0 1
O 1.566745 2.872216 0.316115
N 1.386904 0.679234 -0.097221
N 0.754142 1.881954 0.159718
N -3.220197 -0.464303 -1.085769
C 0.549990 -0.505024 -0.448388
C 1.098697 -1.751107 0.304828
C -0.936284 -0.305604 -0.188999
C 2.860888 0.612567 -0.231963
C 2.600990 -1.872118 0.152880
C 3.385473 -0.798595 -0.117124
C -1.456404 0.006171 1.092547
C -1.863529 -0.528441 -1.235119
C -2.851951 0.080192 1.268391
C -3.694969 -0.162112 0.156818
H 0.691809 -0.686825 -1.535405
H 0.590654 -2.647831 -0.096622
H 0.817449 -1.689237 1.375583
H 3.286784 1.266773 0.554925
H 3.167028 1.082166 -1.191618
H 3.050319 -2.866729 0.261008
H 4.469187 -0.913484 -0.242594
H -0.781895 0.206863 1.931703
H -1.510321 -0.767557 -2.246909
H -3.285912 0.329464 2.241604
H -4.785399 -0.111331 0.254010


