%chk=000046006.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046006

1 1
 O    2.270600     -0.4861000      0.8332000    
 O    2.313200      0.7897000      -1.110100    
 N   -3.035600       1.043200     -5.7000000E-02
 N    4.087900      0.8399000      0.3832000    
 C   -2.593500     -2.5100000E-02  0.9327000    
 C   -3.329800      0.3970000      -1.403200    
 C   -4.291800       1.727200      0.4627000    
 C   -1.927500       2.073500     -0.2203000    
 C   -1.355900     -0.7534000      0.4979000    
 C  -0.1065000     -0.2730000      0.8735000    
 C   -1.470000      -1.902400     -0.2767000    
 C    1.044000     -0.9505000      0.4695000    
 C  -0.3196000      -2.579800     -0.6808000    
 C   0.9374000      -2.103800     -0.3077000    
 C    2.851400      0.4267000     -6.8300001E-02
 C    4.925700       1.776800     -0.3286000    
 H   -3.430400     -0.7238000       1.062300    
 H   -2.435300      0.4659000       1.901900    
 H   -4.032600     -0.4279000      -1.253300    
 H   -3.785500       1.156300      -2.047200    
 H   -2.400800      5.8800001E-02  -1.868400    
 H   -4.061400       2.185500       1.429000    
 H   -4.597400       2.491500     -0.2580000    
 H   -5.076200      0.9725000      0.5729000    
 H   -1.635900       2.438700      0.7689000    
 H   -1.082100       1.634500     -0.7555000    
 H   -2.324900       2.901900     -0.8161000    
 H  -1.4300000E-02  0.6185000       1.488400    
 H   -2.441900      -2.292100     -0.5660000    
 H  -0.4025000      -3.479200      -1.283800    
 H    1.829400      -2.636900     -0.6251000    
 H    4.427700      0.4646000       1.263300    
 H    5.869700       1.279400     -0.5640000    
 H    5.120000       2.628000      0.3285000    
 H    4.447800       2.120200      -1.249000    


%chk=000046006-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046006

1 1
O 2.376213 -0.756977 0.292184
O 1.779485 1.460896 -0.380004
N -2.863853 1.100544 -0.131050
N 3.990272 0.828983 0.137448
C -2.503522 -0.002186 0.947026
C -3.165153 0.447698 -1.475117
C -4.103834 1.840439 0.363089
C -1.718573 2.101285 -0.302149
C -1.358444 -0.896015 0.544811
C -0.030464 -0.434497 0.710820
C -1.592053 -2.182111 -0.008264
C 1.041424 -1.208619 0.220783
C -0.500492 -2.982149 -0.415914
C 0.820490 -2.490625 -0.327557
C 2.654389 0.633213 -0.021329
C 4.639239 2.124299 -0.112213
H -3.438708 -0.569637 1.090917
H -2.286284 0.572359 1.864228
H -3.988910 -0.272136 -1.351507
H -3.456835 1.231372 -2.191354
H -2.266514 -0.074567 -1.831260
H -3.891775 2.282590 1.348610
H -4.359925 2.636598 -0.352666
H -4.941807 1.131432 0.445578
H -1.527367 2.592698 0.664457
H -0.805891 1.589209 -0.640440
H -2.026320 2.852792 -1.046076
H 0.173856 0.522951 1.195322
H -2.614593 -2.565271 -0.107136
H -0.677226 -3.983460 -0.819994
H 1.673549 -3.081308 -0.673532
H 4.550489 0.025023 0.427405
H 5.384002 2.039283 -0.922675
H 5.139838 2.492368 0.800339
H 3.868695 2.849826 -0.413977


