%chk=000040494.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040494

0 1
 O   -3.310100     -0.7370000     -0.4599000    
 N    4.273900     -8.6000003E-03 -0.2917000    
 C   -2.552600      1.7899999E-02  0.4866000    
 C   -3.414200      0.6909000     -0.5335000    
 C   -1.071900      1.2100000E-02  0.3177000    
 C  -0.3741000       1.217400      0.2405000    
 C  -0.3839000      -1.198500      0.2369000    
 C    1.011800       1.212200      8.2599998E-02
 C    1.001900      -1.203800      7.9000004E-02
 C    1.699800      1.5000000E-03  1.8000000E-03
 C    3.119400     -4.0000002E-03 -0.1600000    
 H   -2.922600      1.8900000E-02   1.507500    
 H   -4.342000       1.140300     -0.2024000    
 H   -2.960400       1.176300      -1.388000    
 H  -0.8981000       2.167400      0.3054000    
 H  -0.9162000      -2.144100      0.2981000    
 H    1.541800       2.160000      2.4700001E-02
 H    1.524300      -2.155600      1.8200001E-02


%chk=000040494-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040494

0 1
O -3.363661 -0.829797 0.548765
N 4.344173 -0.223861 -0.329331
C -2.547002 0.440054 0.486772
C -3.503336 0.097510 -0.627147
C -1.069433 0.280274 0.328999
C -0.206372 1.369212 0.615125
C -0.512388 -0.948516 -0.110878
C 1.185481 1.246595 0.445385
C 0.877091 -1.083046 -0.280601
C 1.738636 0.017354 -0.008916
C 3.161483 -0.115150 -0.183393
H -2.870216 1.202673 1.208202
H -4.464327 0.622045 -0.693033
H -3.093471 -0.287696 -1.569377
H -0.625414 2.318096 0.970226
H -1.179932 -1.798650 -0.286699
H 1.849059 2.088809 0.664491
H 1.306429 -2.032606 -0.615090


