%chk=000118956.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118956

0 1
 O   -4.129400     -0.1255000     -0.7811000    
 O   -2.849600      -1.282500      0.6883000    
 N    1.477800      0.4265000      0.4134000    
 N   -2.188900      0.7860000     -0.1476000    
 N    4.971700     -0.5764000     -0.4216000    
 C   0.2050000      0.2935000     -0.2806000    
 C    2.562600     -0.1457000     -0.3766000    
 C  -0.9162000      0.9032000      0.5556000    
 C    3.889400      1.1600000E-02  0.3601000    
 C   -3.022300     -0.2908000     -9.7000003E-03
 H  -1.6500000E-02 -0.7634000     -0.4756000    
 H   0.2462000      0.8033000      -1.251400    
 H    2.625300      0.3606000      -1.348200    
 H    2.368900      -1.209600     -0.5642000    
 H  -0.7421000       1.970500      0.7298000    
 H   -1.000600      0.4001000       1.525500    
 H    1.428200     -3.8500000E-02   1.319500    
 H    3.846500     -0.4800000       1.338900    
 H    4.107500       1.072100      0.5294000    
 H   -2.464600       1.536600     -0.7734000    
 H    4.796500      -1.571300     -0.5571000    
 H    5.842700     -0.5089000      0.1033000    
 H   -4.746200     -0.8842000     -0.7020000    


%chk=000118956-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118956

0 1
O -4.305198 -0.007191 -0.716792
O -2.999953 -1.143600 0.878570
N 1.452467 0.230957 0.371808
N -2.248911 0.819429 -0.181285
N 5.093799 -0.503486 -0.313691
C 0.173467 0.174332 -0.361142
C 2.641133 -0.190496 -0.400345
C -0.932729 0.866184 0.469880
C 3.922183 -0.023457 0.440333
C -3.143023 -0.188214 0.071478
H -0.160368 -0.862569 -0.609266
H 0.304242 0.710838 -1.321384
H 2.727020 0.444072 -1.301264
H 2.575650 -1.251062 -0.758281
H -0.647914 1.917107 0.652860
H -1.028893 0.363095 1.449320
H 1.392296 -0.272727 1.268912
H 3.773103 -0.537432 1.424852
H 4.056609 1.050443 0.661279
H -2.504582 1.518667 -0.878497
H 5.090486 -1.508888 -0.508688
H 5.996929 -0.177938 0.039256
H -4.935911 -0.740863 -0.503210


