%chk=000094713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094713

0 1
 O    2.774300      -1.242800       0.000000    
 N    1.704800     -0.3890000      -1.834400    
 C    1.077700      0.4759000      0.3817000    
 C  -0.4153000      0.1743000      0.1818000    
 C    1.416200      0.2649000       1.875200    
 C    1.494400       1.921300      2.5400000E-02
 C    1.940800     -0.4745000     -0.4780000    
 C  -0.8759000      -1.079800      0.4989000    
 C   -1.223400       1.171600     -0.3054000    
 C   -2.231400      -1.353900      0.3174000    
 C   -2.579100      0.8974000     -0.4870000    
 C   -3.083100     -0.3653000     -0.1755000    
 H   0.7857000      0.8905000       2.518300    
 H    2.461500      0.5257000       2.081900    
 H    1.288800     -0.7750000       2.196700    
 H   0.9930000       2.659100      0.6628000    
 H    1.292600       2.177000      -1.021000    
 H    2.574400       2.055600      0.1682000    
 H  -0.2269000      -1.865400      0.8711000    
 H  -0.8834000       2.167100     -0.5610000    
 H   -2.623400      -2.338200      0.5568000    
 H   -3.242900       1.666700     -0.8707000    
 H   -4.138400     -0.5790000     -0.3175000    
 H    1.012800      0.2370000      -2.232800    
 H    2.220300     -0.9688000      -2.488300    


%chk=000094713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094713

0 1
O 3.272775 -0.549395 -0.188649
N 1.533211 -0.770159 -1.699230
C 1.126775 0.540950 0.402701
C -0.366494 0.259094 0.143169
C 1.473692 0.237412 1.889090
C 1.532773 2.014127 0.099964
C 2.065127 -0.329722 -0.501460
C -0.875407 -1.055879 0.346386
C -1.278436 1.263377 -0.272810
C -2.239496 -1.353253 0.147051
C -2.648807 0.969989 -0.472201
C -3.136820 -0.338085 -0.263154
H 0.927588 0.932186 2.551909
H 2.559025 0.354557 2.044075
H 1.201966 -0.794013 2.172573
H 0.985363 2.711895 0.759443
H 1.337933 2.293325 -0.951487
H 2.612326 2.136508 0.290811
H -0.193890 -1.855029 0.661925
H -0.927482 2.286226 -0.439719
H -2.603865 -2.373734 0.311215
H -3.332116 1.766025 -0.789602
H -4.197773 -0.565233 -0.415534
H 0.546421 -0.646870 -1.922147
H 2.139710 -1.281900 -2.339719


