%chk=000097642.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097642

0 1
 O    1.637500       2.120500      0.1058000    
 O    1.340300      -2.522000     -4.0600002E-02
 N  -0.4481000       1.104000     -4.9100000E-02
 N    1.550800     -0.1937000      2.1000000E-02
 N   -2.601600     -2.5100000E-02 -0.2100000    
 N   -3.321200      -1.022000      0.3933000    
 C   -1.226200     -5.6400001E-02 -0.1299000    
 C   0.9592000       1.090100      3.0500000E-02
 C  -0.6155000      -1.253300     -0.1288000    
 C   0.8492000      -1.395100     -4.6300001E-02
 C   -1.131400       2.400000     -4.7200002E-02
 C    3.007000     -0.2470000      0.1012000    
 H   -1.159400      -2.190500     -0.2061000    
 H  -0.4260000       3.230700      3.9700001E-02
 H   -1.816800       2.447200      0.8051000    
 H   -1.681300       2.519100     -0.9862000    
 H    3.387400      -1.270500      6.1900001E-02
 H    3.323600      0.2215000       1.038600    
 H    3.428100      0.3279000     -0.7298000    
 H   -3.047700      0.8807000     -0.2905000    
 H   -4.258900      -1.034700     -5.5000000E-03
 H   -3.439200     -0.7934000       1.379700    


%chk=000097642-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000097642

0 1
O 1.639605 2.146341 -0.075283
O 1.360727 -2.535633 0.113640
N -0.487336 1.156766 0.020623
N 1.501577 -0.185515 0.019918
N -2.652618 0.186247 0.114223
N -3.573643 -0.872420 0.178052
C -1.273655 -0.001670 0.084243
C 0.941692 1.091670 -0.015809
C -0.684768 -1.260060 0.116383
C 0.747409 -1.424789 0.086158
C -1.092331 2.502488 -0.016287
C 2.978790 -0.260533 -0.015091
H -1.287826 -2.165265 0.165408
H -0.261122 3.222148 -0.061202
H -1.683464 2.700936 0.896867
H -1.722733 2.634393 -0.915301
H 3.244251 -1.327065 0.026884
H 3.407904 0.280834 0.844060
H 3.361927 0.198335 -0.941468
H -3.061674 1.117675 0.084148
H -3.569617 -1.465740 -0.660502
H -3.523295 -1.401142 1.057135


