%chk=000055880.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055880

0 1
 O    3.698000       3.247000      6.8499997E-02
 N   0.3662000      -2.139200      0.9785000    
 C   0.3147000      -1.384400      -1.431300    
 C    1.183300      -1.797300     -0.2019000    
 C   5.2499998E-02  0.1536000      -1.322900    
 C  -0.8837000      -2.297500      -1.683800    
 C    1.981600     -0.5206000     -4.7699999E-02
 C    1.340400      0.5708000     -0.6540000    
 C   -1.596800      -2.726300     -0.4108000    
 C  -0.6100000      -3.190600      0.6542000    
 C   -1.210900      0.6207000     -0.6323000    
 C    3.210400     -0.3549000      0.5755000    
 C    1.898100       1.841300     -0.6214000    
 C    1.185200      -2.579900       2.111500    
 C   -2.370200      0.8483000      -1.375100    
 C   -1.218300      0.8236000      0.7486000    
 C    3.124600       2.012000      2.1700000E-02
 C    3.778200      0.9209000      0.6120000    
 C   -3.534500       1.278200     -0.7383000    
 C   -2.382700       1.253300       1.385100    
 C   -3.540800       1.480600      0.6417000    
 C   -4.785400       1.940300       1.322200    
 H   0.9638000      -1.502800      -2.317400    
 H    1.839200      -2.629600     -0.4895000    
 H   5.8300000E-02  0.5689000      -2.340700    
 H  -0.5139000      -3.207400      -2.176100    
 H   -1.588000      -1.842000      -2.388000    
 H   -2.208600      -1.909100     -1.6600000E-02
 H   -2.292500      -3.541300     -0.6432000    
 H   -1.189300      -3.450600       1.549100    
 H  -0.1025000      -4.105600      0.3208000    
 H    3.727400      -1.194500       1.028200    
 H    1.396000       2.680500      -1.092000    
 H   0.5505000      -2.878500       2.954100    
 H    1.809900      -1.766800       2.491400    
 H    1.828200      -3.428300       1.851600    
 H   -2.378800      0.6936000      -2.450700    
 H  -0.3416000      0.6554000       1.365700    
 H    4.738200       1.056200       1.104400    
 H   -4.431000       1.449800      -1.328200    
 H   -2.376100       1.404900       2.461300    
 H    4.541900       3.184700      0.5481000    
 H   -5.392400       2.563800      0.6569000    
 H   -5.382100       1.078200       1.636200    
 H   -4.552700       2.546300       2.204400    


%chk=000055880-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055880

0 1
O 3.658706 3.320245 0.125188
N 0.471287 -2.208948 0.973701
C 0.277456 -1.452243 -1.443772
C 1.229717 -1.853778 -0.266010
C 0.058301 0.114836 -1.313162
C -0.971525 -2.345948 -1.609937
C 2.045852 -0.577110 -0.085557
C 1.356089 0.538914 -0.628604
C -1.616661 -2.749761 -0.266143
C -0.544596 -3.260817 0.710825
C -1.219245 0.607858 -0.627996
C 3.311675 -0.399747 0.506202
C 1.893956 1.834523 -0.547014
C 1.361379 -2.574312 2.093047
C -2.320501 1.023001 -1.418486
C -1.349984 0.681017 0.782904
C 3.155322 2.005037 0.070752
C 3.873025 0.896847 0.586872
C -3.516789 1.484557 -0.824536
C -2.542113 1.148691 1.374114
C -3.650770 1.553695 0.584691
C -4.942258 2.028697 1.229604
H 0.895386 -1.564862 -2.358892
H 1.875767 -2.720044 -0.570179
H 0.033766 0.529253 -2.341152
H -0.670456 -3.269653 -2.146243
H -1.715000 -1.836229 -2.253126
H -2.127628 -1.886224 0.191846
H -2.373654 -3.540150 -0.435308
H -1.010303 -3.532530 1.676686
H -0.070407 -4.193224 0.299265
H 3.874832 -1.256100 0.894242
H 1.373400 2.708423 -0.950312
H 0.750042 -2.850183 2.970650
H 1.993407 -1.715563 2.373432
H 2.034190 -3.439198 1.854424
H -2.236420 0.998917 -2.513117
H -0.518021 0.345676 1.410570
H 4.861810 1.043001 1.041547
H -4.351225 1.803474 -1.461861
H -2.615940 1.201164 2.467841
H 4.542356 3.337814 0.569490
H -5.477255 2.747897 0.584226
H -5.630401 1.181131 1.417387
H -4.752771 2.517657 2.201700


