%chk=000059473.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059473

0 1
 O   -2.886000     -0.7248000      0.2946000    
 N  -0.7314000     -0.2652000      -1.352100    
 N   -1.555500      0.7990000     -0.9571000    
 N   -2.964300       1.626500      0.8492000    
 C   0.3430000     -0.7290000     -0.5542000    
 C    1.438500      9.3800001E-02 -0.2454000    
 C   -2.150200      0.5061000      0.3405000    
 C    2.485500     -0.4197000      0.5567000    
 C   0.2806000      -2.039200     -7.9099998E-02
 C    1.517900       1.414900     -0.7149000    
 C    2.406100      -1.741000       1.026000    
 C   -1.058100     -0.9327000      -2.605900    
 C    1.310200      -2.544300      0.7093000    
 C    3.581000      0.4033000      0.8656000    
 C   -4.183600     -0.4181000      0.7905000    
 C    2.613800       2.218200     -0.3987000    
 C    3.643300       1.713500      0.3901000    
 C   -4.091000       1.038700       1.084900    
 H   -1.360300      0.3678000       1.089100    
 H   -2.302500      0.9290000      -1.637700    
 H  -0.5671000      -2.679300     -0.3098000    
 H   0.7587000       1.854300      -1.354800    
 H    3.199200      -2.156700       1.644200    
 H  -0.1533000      -1.305200      -3.099300    
 H   -1.550100     -0.2516000      -3.309400    
 H   -1.728800      -1.779100      -2.424200    
 H    1.260500      -3.564000       1.080000    
 H    4.397300      2.9500000E-02   1.480200    
 H   -4.391700     -0.9861000       1.699600    
 H   -4.941600     -0.6140000      2.9200001E-02
 H    2.666500       3.236500     -0.7731000    
 H   -4.963500       1.573800       1.486200    
 H    4.496900       2.339000      0.6349000    


%chk=000059473-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059473

0 1
O -3.553215 -0.549769 -0.041313
N -0.640065 -0.532812 -1.374579
N -1.423219 0.514079 -0.813120
N -2.717766 1.495976 0.957813
C 0.540436 -0.908924 -0.657499
C 1.515714 0.081887 -0.220472
C -2.257263 0.240196 0.315955
C 2.706238 -0.378393 0.472615
C 0.805190 -2.274970 -0.434655
C 1.386592 1.487598 -0.474340
C 2.924270 -1.780263 0.687743
C -1.409507 -1.572034 -2.098178
C 1.992927 -2.706919 0.225423
C 3.678516 0.581455 0.911817
C -4.688484 0.266023 0.400857
C 2.360519 2.396015 -0.049834
C 3.513884 1.944256 0.661914
C -4.021649 1.504817 0.983384
H -1.703677 -0.396683 1.028103
H -1.777036 1.185519 -1.500186
H 0.081470 -3.030287 -0.752342
H 0.501095 1.849969 -0.996719
H 3.832993 -2.104961 1.207310
H -0.722103 -2.156339 -2.733063
H -2.144379 -1.063625 -2.744388
H -1.972710 -2.255532 -1.428864
H 2.154043 -3.779791 0.379500
H 4.565552 0.217376 1.444432
H -5.277425 -0.275565 1.169891
H -5.362399 0.514859 -0.444548
H 2.236601 3.464128 -0.260515
H -4.570654 2.350792 1.411813
H 4.265512 2.665822 1.001143


