%chk=000138703.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138703

0 1
 O    3.563000      0.3072000     -0.2848000    
 N   0.7855000       1.198400     -3.6200002E-02
 C   -1.011600     -7.5300001E-02  0.2461000    
 C   0.1291000     -0.9126000      0.1749000    
 C  -0.5765000       1.224900      0.1129000    
 C   -2.411000     -0.5118000      0.4299000    
 C    1.226400     -9.8700002E-02  6.0000003E-04
 C   0.1380000      -2.387600      0.2710000    
 C   -1.318100       2.500500      0.1114000    
 C   -3.127100     -0.7791000     -0.8988000    
 C    2.602400     -0.4658000     -0.1270000    
 H   -2.454100      -1.415200       1.049500    
 H   -2.972400      0.2523000      0.9818000    
 H    1.376200       2.010500     -0.1546000    
 H   0.4626000      -2.701200       1.268500    
 H  -0.8492000      -2.820700      8.5199997E-02
 H   0.8191000      -2.826700     -0.4655000    
 H  -0.6770000       3.345600     -0.1602000    
 H   -2.143800       2.466200     -0.6066000    
 H   -1.735400       2.700000       1.103700    
 H   -3.152300      0.1212000      -1.521600    
 H   -4.158400      -1.095800     -0.7141000    
 H   -2.623200      -1.568200      -1.466800    
 H    2.814900      -1.547200     -7.3700003E-02


%chk=000138703-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138703

0 1
O 3.553259 0.474145 -0.500130
N 0.822130 1.197018 -0.126005
C -0.999469 -0.083184 0.283224
C 0.137739 -0.952412 0.164589
C -0.541145 1.249187 0.096770
C -2.430240 -0.507267 0.524237
C 1.270214 -0.131686 -0.090484
C 0.128105 -2.454745 0.293713
C -1.300147 2.545452 0.098494
C -3.212931 -0.799896 -0.785312
C 2.671115 -0.423961 -0.286318
H -2.443038 -1.415218 1.158002
H -2.968494 0.273279 1.096749
H 1.462470 1.976305 -0.287062
H -0.340750 -2.771860 1.244466
H -0.449501 -2.927938 -0.523200
H 1.147026 -2.876353 0.267827
H -0.760263 3.335617 0.652756
H -1.475713 2.921346 -0.928327
H -2.286410 2.415523 0.573891
H -3.261843 0.099762 -1.425500
H -4.247467 -1.122742 -0.565671
H -2.720349 -1.597988 -1.369597
H 2.952803 -1.501483 -0.241512


