%chk=000063438.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063438

0 1
 O   -2.900000      -1.579200      0.4574000    
 N   0.9401000     -0.7539000     -0.4437000    
 N  -0.8004000      -2.358500     -1.2100000E-02
 C   6.8300001E-02  0.3332000     -0.2689000    
 C   -1.280400      6.6299997E-02  4.5400001E-02
 C    2.339600     -0.5202000     -0.7695000    
 C   0.4572000       1.676700     -0.3881000    
 C   0.4142000      -2.015800     -0.2973000    
 C   -2.202600       1.103800      0.2325000    
 C   -1.726400      -1.352300      0.1802000    
 C  -0.4623000       2.713000     -0.2013000    
 C   -1.788700       2.427100      0.1081000    
 C    3.119400     -0.4112000      0.5013000    
 C    3.821900      0.6708000      0.8559000    
 H    2.732300      -1.381900      -1.325500    
 H    2.490400      0.3285000      -1.445300    
 H    1.475500       1.966500     -0.6246000    
 H    1.160100      -2.813400     -0.4496000    
 H   -3.242100      0.9011000      0.4747000    
 H  -0.1392000       3.745800     -0.2976000    
 H   -2.499600       3.235300      0.2525000    
 H    3.122100      -1.270500       1.167700    
 H    4.372200      0.6857000       1.790300    
 H    3.863900       1.552900      0.2270000    


%chk=000063438-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063438

0 1
O -3.071687 -1.669314 0.249048
N 0.896924 -0.773885 -0.420491
N -0.888091 -2.407494 -0.195805
C 0.019900 0.320433 -0.214621
C -1.364235 0.029507 0.003683
C 2.353324 -0.585738 -0.648215
C 0.468508 1.669201 -0.232231
C 0.367532 -2.063871 -0.400321
C -2.274742 1.099312 0.194462
C -1.860317 -1.381465 0.034867
C -0.457379 2.710366 -0.042242
C -1.833218 2.432714 0.170356
C 3.119921 -0.198395 0.605394
C 4.085363 0.751270 0.644207
H 2.735118 -1.554327 -1.025386
H 2.512653 0.155277 -1.452778
H 1.526005 1.905045 -0.370496
H 1.104041 -2.858770 -0.581168
H -3.325291 0.838342 0.359405
H -0.105911 3.747873 -0.055703
H -2.541734 3.254101 0.317556
H 2.871222 -0.772950 1.508912
H 4.643376 0.960787 1.562518
H 4.354219 1.341781 -0.241452


