%chk=000076905.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076905

0 1
 O   -2.342300      -1.805500      0.1255000    
 N    1.568700       1.328700      0.1267000    
 N   -3.344400      0.2235000     -0.2456000    
 C    2.691400     -0.7826000      0.5044000    
 C    1.435700     -8.2000000E-03  0.2781000    
 C   0.2229000     -0.6769000      0.2350000    
 C  -0.9275000      7.4699998E-02  2.3000000E-02
 C    3.324100      -1.255300     -0.8014000    
 C  -0.8313000       1.452600     -0.1372000    
 C   0.4286000       2.026000     -7.7500001E-02
 C   -2.226000     -0.5771000     -3.0999999E-02
 H    3.411200     -0.1530000       1.042100    
 H    2.496400      -1.644000       1.154700    
 H   0.1825000      -1.754200      0.3619000    
 H    2.647700      -1.918200      -1.351500    
 H    4.248200      -1.805000     -0.5968000    
 H    3.567500     -0.4081000      -1.451500    
 H   -1.669200       2.115600     -0.3055000    
 H   0.5587000       3.096800     -0.1962000    
 H   -3.338300       1.226800     -0.3775000    
 H   -4.263900     -0.2056000     -0.2808000    


%chk=000076905-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076905

0 1
O -2.498453 -1.702447 0.659726
N 1.616505 1.255124 0.067161
N -3.420883 0.161442 -0.362798
C 2.696132 -0.910946 0.481864
C 1.435737 -0.088661 0.296328
C 0.145198 -0.670999 0.328774
C -0.999565 0.132396 0.113844
C 3.436224 -1.138640 -0.862741
C -0.810217 1.518994 -0.111235
C 0.509146 2.025299 -0.124070
C -2.351702 -0.543587 0.165387
H 3.368206 -0.369136 1.172361
H 2.446106 -1.883103 0.944533
H 0.008150 -1.738630 0.525801
H 2.809221 -1.709653 -1.571638
H 4.372854 -1.701778 -0.700765
H 3.687238 -0.168513 -1.326072
H -1.647552 2.213788 -0.239545
H 0.693544 3.093845 -0.285676
H -3.314181 1.052445 -0.842287
H -4.341009 -0.276241 -0.330051


