%chk=000046275.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046275

0 1
 O    2.444300       1.723200       1.247200    
 N    2.353700     -0.6311000     -0.4467000    
 C    2.551500      0.7247000     -0.9496000    
 C    2.968800     -0.7991000      0.8792000    
 C    2.819500      -1.637600      -1.398400    
 C    3.321100      -2.253900       1.221600    
 C    2.348900      -3.031300     -0.9651000    
 C    1.879000       1.803900     -6.8599999E-02
 C    2.367100      -3.232000      0.5523000    
 C   0.3753000       1.520100      9.3000000E-03
 C    2.146900       3.231100     -0.5772000    
 C  -0.1689000       1.194900       1.229300    
 C  -0.3687000       1.602200      -1.143700    
 C   -2.322200       1.011400      0.1494000    
 C   -1.537800      0.9368000       1.300400    
 C   -1.737700       1.344100      -1.072700    
 C   -3.785600      0.7348000      0.2252000    
 C   -4.109800     -0.7496000     -2.0000001E-03
 C   -5.614700      -1.014600      3.7900001E-02
 C   -5.930500      -2.477800     -0.2278000    
 H    3.628200      0.9352000      -1.019000    
 H    2.162700      0.7997000      -1.973400    
 H    2.254300     -0.4892000       1.647500    
 H    3.895400     -0.2222000      0.9897000    
 H    3.913800      -1.615200      -1.485100    
 H    2.418700      -1.446300      -2.401500    
 H    3.308100      -2.395600       2.308400    
 H    4.343800      -2.470300      0.8864000    
 H    2.990700      -3.781200      -1.443100    
 H    1.331000      -3.215300      -1.330900    
 H    2.642600      -4.265200      0.7912000    
 H    1.356100      -3.077000      0.9503000    
 H    3.219900       3.454300     -0.5555000    
 H    1.660700       3.972500      6.8099998E-02
 H    1.794100       3.384500      -1.601800    
 H   0.4040000       1.128300       2.147300    
 H   6.7199998E-02   1.858600      -2.103500    
 H    3.375500       1.998500       1.192300    
 H   -1.981500      0.6769000       2.258000    
 H   -2.337800       1.403300      -1.977000    
 H   -4.173900       1.053600       1.201200    
 H   -4.315000       1.347900     -0.5157000    
 H   -3.609100      -1.359500      0.7608000    
 H   -3.709400      -1.069600     -0.9726000    
 H   -6.016000     -0.7299000       1.017500    
 H   -6.121400     -0.3967000     -0.7126000    
 H   -5.462600      -3.122500      0.5230000    
 H   -5.571300      -2.783800      -1.215700    
 H   -7.011600      -2.644700     -0.1929000    


%chk=000046275-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046275

0 1
O 2.465334 2.040486 1.407500
N 2.561387 -0.539452 -0.397910
C 2.830534 0.851096 -0.761553
C 3.016013 -0.925288 0.964424
C 2.920018 -1.540614 -1.426683
C 2.999475 -2.466070 1.148107
C 2.119574 -2.853875 -1.199578
C 1.994858 1.932635 0.000609
C 1.856999 -3.087420 0.315613
C 0.503863 1.588760 0.062745
C 2.216525 3.309772 -0.679111
C -0.183301 1.503160 1.295506
C -0.229671 1.383047 -1.133165
C -2.306762 1.011013 0.138563
C -1.567498 1.218772 1.328873
C -1.609806 1.099089 -1.095149
C -3.788760 0.667638 0.174741
C -4.061596 -0.857392 0.046756
C -5.568172 -1.199037 0.073282
C -5.843732 -2.712386 -0.060609
H 3.915111 1.132636 -0.616770
H 2.623489 0.966666 -1.842283
H 2.348405 -0.443924 1.699350
H 4.050061 -0.534473 1.164216
H 4.019096 -1.761489 -1.429527
H 2.682477 -1.124603 -2.423300
H 2.883093 -2.700796 2.222461
H 3.964346 -2.907573 0.828194
H 2.690976 -3.700577 -1.629282
H 1.154156 -2.800640 -1.735464
H 1.758498 -4.169095 0.526922
H 0.904601 -2.606485 0.604988
H 3.298299 3.527911 -0.780350
H 1.753606 4.098057 -0.062167
H 1.762059 3.344873 -1.685028
H 0.375633 1.668431 2.220001
H 0.275934 1.439952 -2.105356
H 3.449282 2.158269 1.387905
H -2.083023 1.163350 2.296401
H -2.157733 0.948041 -2.034224
H -4.237073 1.029229 1.121252
H -4.319748 1.187626 -0.648279
H -3.542521 -1.389969 0.869064
H -3.612381 -1.229649 -0.896341
H -6.010356 -0.823064 1.018801
H -6.079805 -0.653832 -0.746579
H -5.365335 -3.276351 0.762256
H -5.441708 -3.106104 -1.013290
H -6.927320 -2.931054 -0.035131


