%chk=000029648.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029648

0 1
 O  -0.3142000       2.369600     -0.2834000    
 N   -1.583600     -0.3668000     -0.2373000    
 N    1.757100      -1.126400      0.1274000    
 N  -0.3925000      -2.245100     -8.7000001E-03
 N    1.705400       1.288700     -2.4800001E-02
 N    3.704600      9.4400004E-02  0.2382000    
 C  -0.2782000      2.1400001E-02 -0.1368000    
 C   -2.740400      0.4808000     -0.3997000    
 C   0.4194000      -1.151300      1.5000000E-03
 C   -1.600700      -1.737900     -0.1549000    
 C   0.3199000       1.328100     -0.1599000    
 C   -3.334500      0.9041000      0.9327000    
 C    2.337500      0.1405000      0.1057000    
 H   -2.462600       1.348600      -1.004400    
 H   -3.483100     -8.3099999E-02 -0.9761000    
 H   -2.518700      -2.307700     -0.2059000    
 H    2.329200      -1.957600      0.2331000    
 H   -3.639200      3.4200002E-02   1.524300    
 H   -4.215300       1.533300      0.7728000    
 H   -2.610900       1.473600       1.525300    
 H    4.197400     -0.7861000      0.3391000    
 H    4.260000      0.9430000      0.2394000    


%chk=000029648-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029648

0 1
O -0.352785 2.392016 -0.192561
N -1.660307 -0.454530 -0.304929
N 1.791361 -1.168566 0.106513
N -0.384073 -2.351519 -0.139920
N 1.700736 1.252933 0.069772
N 3.746177 0.155090 0.320721
C -0.330607 -0.028815 -0.141403
C -2.851801 0.420236 -0.402366
C 0.408489 -1.220447 -0.049608
C -1.638234 -1.840581 -0.291701
C 0.289407 1.298402 -0.096226
C -3.230862 1.045581 0.953255
C 2.374385 0.105784 0.160959
H -2.623855 1.220111 -1.126628
H -3.675971 -0.196765 -0.803905
H -2.537564 -2.442575 -0.397105
H 2.325507 -2.036423 0.172783
H -3.425361 0.270231 1.715504
H -4.143459 1.657115 0.836046
H -2.419935 1.707286 1.299980
H 4.334708 -0.669331 0.400563
H 4.160644 1.083068 0.357857


