%chk=000096428.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096428

0 1
 O    1.348400      -2.332000       1.226100    
 N    2.296700       2.327800      0.5782000    
 N   0.1242000     -0.1656000     -0.9876000    
 N    1.681700      -2.505400      -1.044000    
 C    1.249000     -0.3349000     -8.8299997E-02
 C   0.9626000      0.3572000       1.250600    
 C    2.524800      0.2346000     -0.7215000    
 C    1.020700       1.882000       1.136700    
 C    2.522500       1.764400     -0.7524000    
 C    1.421000      -1.813000      0.1148000    
 C   -1.183600     -3.5700001E-02 -0.5583000    
 C   -1.933900       1.118600     -0.8581000    
 C   -1.805600      -1.053800      0.1912000    
 C   -3.253700       1.249700     -0.4257000    
 C   -3.125400     -0.9228000      0.6234000    
 C   -3.849300      0.2289000      0.3150000    
 H    1.738200      6.0199998E-02   1.973300    
 H   2.3800001E-02  5.5399999E-02   1.725300    
 H    2.665700     -0.1238000      -1.748900    
 H    3.402900     -0.1059000     -0.1548000    
 H   0.1933000       2.279300      0.5425000    
 H   0.9154000       2.311600       2.139500    
 H    3.493600       2.113300      -1.120900    
 H    1.766500       2.137600      -1.453600    
 H    2.300800       3.345700      0.5182000    
 H   0.3262000      0.3167000      -1.859300    
 H    1.827400      -3.509400      -1.026400    
 H    1.694600      -2.064000      -1.957400    
 H   -1.485400       1.923700      -1.436200    
 H   -1.275900      -1.970600      0.4335000    
 H   -3.817600       2.146200     -0.6662000    
 H   -3.590800      -1.719100       1.196800    
 H   -4.877200      0.3304000      0.6508000    


%chk=000096428-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096428

0 1
O 2.051247 -2.342522 0.956779
N 2.655559 2.295382 0.710786
N 0.133487 0.198236 -0.889731
N 0.869242 -2.432728 -1.045769
C 1.282783 -0.206098 -0.039491
C 1.234520 0.387738 1.400407
C 2.587387 0.304548 -0.740525
C 1.392600 1.920602 1.385814
C 2.720401 1.842277 -0.688095
C 1.419589 -1.761845 0.024323
C -1.233019 0.083057 -0.543884
C -2.181679 0.897846 -1.229988
C -1.713351 -0.850473 0.420271
C -3.560103 0.781426 -0.964120
C -3.096584 -0.950941 0.682109
C -4.032939 -0.142796 -0.001769
H 2.052948 -0.072042 1.979330
H 0.283342 0.121968 1.894181
H 2.609179 -0.047394 -1.790076
H 3.446414 -0.138836 -0.208484
H 0.494202 2.377019 0.896779
H 1.425275 2.291960 2.425952
H 3.696551 2.131617 -1.118782
H 1.932632 2.315793 -1.337560
H 2.891076 3.288796 0.822244
H 0.341375 0.966211 -1.533328
H 0.952762 -3.446927 -1.094897
H 0.310844 -1.914738 -1.725417
H -1.829178 1.623802 -1.974947
H -1.021532 -1.508333 0.953702
H -4.267260 1.419531 -1.506664
H -3.442327 -1.675317 1.428714
H -5.103845 -0.229518 0.208435


