%chk=000040714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040714

0 1
 O    3.763100       1.489700     -0.1248000    
 N   -1.676100      0.2425000     -2.5300000E-02
 C  -0.8280000     -0.1138000      -1.157500    
 C  -0.4036000      -1.581100      -1.058400    
 C   -2.880000     -0.5896000     -2.0000001E-03
 C   -2.038800       1.659500     -7.9499997E-02
 C   0.3699000      -1.887400      0.2260000    
 C   -3.741800     -0.2746000       1.208900    
 C  -0.8024000       2.542200     -0.1045000    
 C    1.636400      -1.146500      0.3037000    
 C    2.671100     -0.5402000      0.3682000    
 C    3.930300      0.1993000      0.4451000    
 H   -1.350500      4.4199999E-02  -2.110300    
 H   8.6599998E-02  0.4846000      -1.197300    
 H   0.2510000      -1.790100      -1.916700    
 H   -1.240500      -2.275800      -1.179700    
 H   -3.473000     -0.4798000     -0.9186000    
 H   -2.634100      -1.649200      0.1059000    
 H   -2.671600       1.888300     -0.9463000    
 H   -2.590900       1.950100      0.8201000    
 H   0.5928000      -2.961300      0.2447000    
 H  -0.2386000      -1.688100       1.114400    
 H   -3.152200     -0.2504000       2.132000    
 H   -4.280400      0.6723000       1.105100    
 H   -4.503800      -1.053100       1.329800    
 H  -7.1900003E-02   2.243800      0.6555000    
 H  -0.3154000       2.555100      -1.084400    
 H   -1.089100       3.578000      0.1107000    
 H    4.246600      0.3180000       1.485900    
 H    4.720000     -0.3227000     -0.1037000    
 H    4.618600       1.946500     -5.3700000E-02


%chk=000040714-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040714

0 1
O 3.446454 1.840088 -0.467345
N -1.798186 0.159408 -0.168367
C -0.878033 -0.411004 -1.189132
C -0.372080 -1.821785 -0.811376
C -3.186356 -0.358836 -0.308621
C -1.746259 1.648265 -0.113154
C 0.474819 -1.812480 0.492930
C -3.986940 -0.306701 1.007356
C -0.482959 2.188761 0.584210
C 1.720642 -1.037575 0.355200
C 2.729028 -0.341600 0.205883
C 3.902697 0.518608 0.036355
H -1.359480 -0.449070 -2.198476
H -0.001650 0.255202 -1.281442
H 0.230317 -2.225168 -1.648395
H -1.228763 -2.508227 -0.664070
H -3.744095 0.186681 -1.113006
H -3.122394 -1.412971 -0.637731
H -1.832042 2.091682 -1.138498
H -2.633546 1.992705 0.449649
H 0.710504 -2.851299 0.797237
H -0.146281 -1.361197 1.291377
H -3.471447 -0.892454 1.788623
H -4.100317 0.727340 1.379930
H -5.001574 -0.723075 0.861358
H -0.421792 1.794435 1.614144
H 0.447798 1.907230 0.061608
H -0.518103 3.293926 0.631193
H 4.423846 0.633457 1.011478
H 4.610042 0.054882 -0.684977
H 4.239848 2.431174 -0.550641


