%chk=000027292.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027292

0 1
 O  -0.3067000       1.466200       1.403300    
 N   -3.313100     -0.2533000      0.3868000    
 C   -1.141000      0.4675000     -0.6994000    
 C  -0.2367000      0.2999000      0.5745000    
 C   -2.620100      0.8016000     -0.3470000    
 C   -1.142800     -0.8109000      -1.568900    
 C  -0.5644000       1.603000      -1.583300    
 C    1.230700      3.5000001E-03  0.3229000    
 C   -2.655900     -0.5030000       1.670100    
 C   -3.365000      -1.481800     -0.4063000    
 C    1.641900      -1.312100      0.2238000    
 C    2.116500       1.056800      0.1991000    
 C    2.990200      -1.584700     -7.4999998E-03
 C    3.464900      0.7841000     -3.2400001E-02
 C    3.901500     -0.5367000     -0.1357000    
 H  -0.5040000     -0.5432000       1.189400    
 H   -2.664500       1.734500      0.2306000    
 H   -3.182400       1.018900      -1.265800    
 H   -1.919300     -0.8288000      -2.337600    
 H  -0.2212000     -0.8104000      -2.172700    
 H   -1.026500      -1.743400      -1.020400    
 H   -1.210900       1.779500      -2.451600    
 H  -0.5063000       2.546300      -1.029400    
 H   0.4303000       1.373000      -1.977000    
 H   0.2389000       1.310200       2.193500    
 H   -2.269600      0.3871000       2.171100    
 H   -2.000800      -1.377200       1.709700    
 H   -3.468900     -0.8100000       2.345700    
 H   -4.259200      -2.008500     -3.7300002E-02
 H   -2.594400      -2.231000     -0.2252000    
 H   -3.622300      -1.330100      -1.458400    
 H   0.9455000      -2.138600      0.3273000    
 H    1.801300       2.093400      0.2672000    
 H    3.330600      -2.613000     -8.6700000E-02
 H    4.174500       1.599900     -0.1341000    
 H    4.951300     -0.7489000     -0.3160000    


%chk=000027292-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027292

0 1
O -0.296542 1.253458 1.407524
N -2.897537 -0.731560 0.486059
C -0.953119 0.369335 -0.772876
C -0.046601 0.120486 0.477959
C -2.438318 0.457739 -0.274873
C -0.806464 -0.821632 -1.750413
C -0.601246 1.695973 -1.487434
C 1.446459 -0.027671 0.202939
C -3.251514 -0.450817 1.891377
C -3.914548 -1.547897 -0.200146
C 2.022797 -1.317030 0.065756
C 2.293726 1.108603 0.108808
C 3.405638 -1.470932 -0.179590
C 3.677472 0.957256 -0.131865
C 4.239079 -0.332638 -0.280183
H -0.429107 -0.817012 0.937518
H -2.532269 1.364463 0.352073
H -3.080039 0.610394 -1.169724
H -1.463157 -0.671019 -2.628369
H 0.230833 -0.921091 -2.116280
H -1.096916 -1.768363 -1.258447
H -1.329227 1.896964 -2.296628
H -0.625617 2.542616 -0.778886
H 0.403481 1.650691 -1.944149
H 0.324386 1.162635 2.173823
H -2.441032 0.131053 2.361747
H -3.370634 -1.401101 2.445552
H -4.202956 0.129596 2.001085
H -4.908814 -1.038916 -0.286538
H -4.068795 -2.494797 0.350669
H -3.574206 -1.801608 -1.218830
H 1.382871 -2.203816 0.155317
H 1.859514 2.106884 0.229559
H 3.833437 -2.474699 -0.283167
H 4.318060 1.844036 -0.202548
H 5.313006 -0.449780 -0.464517


