%chk=000098126.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098126

0 1
 O    2.227500      -2.640100      0.7705000    
 N    4.126100       1.354300      2.1000000E-02
 N    1.993600      -2.313900      -1.463300    
 C    1.482200      0.5144000      0.1827000    
 C    2.481000     -0.4166000     -2.9999999E-02
 C   7.0100002E-02  0.1034000      0.2735000    
 C   -2.380100      0.4383000     -5.0999999E-02
 C  -0.9872000      0.8511000     -0.1226000    
 C    1.780000       1.858000      0.3162000    
 C    3.782700      5.2600000E-02 -0.1028000    
 C   -2.758500     -0.5930000      0.8085000    
 C   -3.337400       1.073500     -0.8421000    
 C    3.113000       2.225400      0.2279000    
 C    2.226200      -1.842700     -0.1780000    
 C   -4.094400     -0.9890000      0.8769000    
 C   -4.673100      0.6777000     -0.7735000    
 C   -5.051700     -0.3535000      8.6099997E-02
 H  -8.2999997E-02 -0.8932000      0.6763000    
 H  -0.8207000       1.829500     -0.5676000    
 H    1.034200       2.622500      0.5031000    
 H    4.618400     -0.6210000     -0.2676000    
 H   -2.055100      -1.102400       1.460400    
 H   -3.061500       1.878400      -1.519200    
 H    3.411200       3.263800      0.3293000    
 H   -4.390700      -1.788400       1.549800    
 H   -5.418600       1.172300      -1.389200    
 H   -6.091900     -0.6608000      0.1405000    
 H    1.990200      -1.699600      -2.271300    
 H    1.816500      -3.298200      -1.634000    


%chk=000098126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098126

0 1
O 1.334532 -2.523792 0.578722
N 4.125565 1.365086 -0.179230
N 3.089149 -2.662791 -0.922829
C 1.367492 0.501003 -0.017483
C 2.447774 -0.444074 -0.114076
C -0.035259 0.068241 0.076603
C -2.535469 0.474941 -0.018397
C -1.124659 0.877203 -0.124253
C 1.739528 1.878547 -0.022627
C 3.780063 0.047152 -0.171817
C -2.946785 -0.833984 0.374412
C -3.545714 1.435144 -0.317198
C 3.089415 2.258969 -0.115654
C 2.225627 -1.937950 -0.113442
C -4.313135 -1.161915 0.460049
C -4.914316 1.106068 -0.231731
C -5.305084 -0.195936 0.157356
H -0.175862 -0.987595 0.326913
H -0.968242 1.928964 -0.407354
H 0.976378 2.656836 0.068543
H 4.623559 -0.654144 -0.176138
H -2.196857 -1.594198 0.617600
H -3.247580 2.447096 -0.619591
H 3.373117 3.317304 -0.126863
H -4.610461 -2.171477 0.764884
H -5.673546 1.860218 -0.466507
H -6.367002 -0.456475 0.226012
H 3.734749 -2.216627 -1.571710
H 3.002021 -3.679012 -0.923691


