%chk=000001227.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001227

0 1
 O   -3.361300      0.8911000      0.6587000    
 N   -1.526000      0.3044000     -0.6949000    
 N   0.9101000      0.7455000      0.6103000    
 C  -0.5045000     -0.7312000     -0.7212000    
 C   -1.092500      -1.805100      0.1935000    
 C   -1.989100      -1.040000       1.162600    
 C   -2.419300      0.1689000      0.3672000    
 C   0.8695000     -0.2722000     -0.2783000    
 C   -1.578800       1.353100      -1.694500    
 C    1.992600     -0.9005000     -0.7910000    
 C    3.238800     -0.4552000     -0.3640000    
 C    2.138700       1.151300       1.002100    
 C    3.321800      0.5898000      0.5496000    
 H  -0.4456000      -1.109900      -1.749300    
 H  -0.3471000      -2.419300      0.7083000    
 H   -1.721500      -2.480300     -0.4017000    
 H   -1.433100     -0.7032000       2.042900    
 H   -2.853300      -1.633700       1.470400    
 H  -0.6494000       1.927200      -1.663000    
 H   -2.423200       2.019700      -1.501600    
 H   -1.696000      0.8941000      -2.679800    
 H    1.917200      -1.716200      -1.501900    
 H    4.143400     -0.9218000     -0.7419000    
 H    2.149000       1.968900       1.715300    
 H    4.282300      0.9532000      0.8965000    


%chk=000001227-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001227

0 1
O -3.320793 1.174110 0.315025
N -1.496041 0.169976 -0.786209
N 0.984835 0.146622 1.018890
C -0.525028 -0.931457 -0.608562
C -1.194362 -1.809320 0.501479
C -2.167138 -0.856840 1.237422
C -2.432628 0.278468 0.242286
C 0.864240 -0.412930 -0.226400
C -1.393398 1.146871 -1.867166
C 1.958035 -0.502839 -1.121122
C 3.217445 0.003688 -0.725107
C 2.201767 0.633317 1.388752
C 3.345016 0.586364 0.555256
H -0.428032 -1.494999 -1.558287
H -0.438506 -2.243108 1.174339
H -1.750411 -2.633781 0.021544
H -1.701417 -0.417247 2.136433
H -3.117684 -1.329194 1.533941
H -0.440248 1.708339 -1.819858
H -2.230481 1.855651 -1.749844
H -1.467964 0.656163 -2.856723
H 1.821602 -0.961267 -2.106942
H 4.077932 -0.054449 -1.400154
H 2.256476 1.073881 2.391134
H 4.299480 0.992583 0.904170


