%chk=000056585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056585

0 1
 O  -2.1299999E-02  -3.826600     -0.3652000    
 O    4.957500      -3.122100     -0.6688000    
 O    1.452400       5.524200     -0.7893000    
 N  -0.7858000     -0.2920000      0.3331000    
 C   0.5404000      0.1697000      0.8314000    
 C  -0.9174000      -1.748400      0.4067000    
 C   9.4599999E-02  -2.414200     -0.5256000    
 C    1.715600     -0.7356000      0.4330000    
 C    1.500600      -1.965800     -0.2164000    
 C   -1.890400      0.3381000       1.066400    
 C   0.7868000       1.615400      0.3937000    
 C    3.033500     -0.3636000      0.7600000    
 C    2.601900      -2.747800     -0.6024000    
 C   -3.190100     -8.3499998E-02  0.4484000    
 C   0.9324000       2.606200       1.355200    
 C   0.8616000       1.917600     -0.9594000    
 C    4.117000      -1.161400      0.3932000    
 C    3.901600      -2.347700     -0.2981000    
 C   -3.740600      0.6718000     -0.5817000    
 C   -3.834100      -1.226800      0.9098000    
 C    1.156800       3.923900      0.9563000    
 C    1.086000       3.235200      -1.358500    
 C    1.233700       4.238400     -0.4006000    
 C   -4.949300      0.2795000      -1.156800    
 C   -5.042800      -1.618900      0.3344000    
 C   -5.600400     -0.8658000     -0.6988000    
 H   0.5189000      0.1221000       1.931000    
 H   -1.865800      -2.127900      2.7100001E-02
 H  -0.8091000      -2.118500       1.436200    
 H  -0.1231000      -2.170700      -1.573300    
 H   -1.827800       1.432100       1.024300    
 H   -1.872600      7.3200002E-02   2.132400    
 H    3.230300      0.5581000       1.302000    
 H    2.440600      -3.680500      -1.138600    
 H   0.8741000       2.374400       2.414700    
 H   0.7478000       1.147800      -1.717700    
 H    5.125700     -0.8475000      0.6469000    
 H  -0.9191000      -4.081700     -0.6383000    
 H   -3.241400       1.564600     -0.9485000    
 H   -3.430400      -1.810700       1.732800    
 H    1.269900       4.696200       1.712400    
 H    1.144600       3.473900      -2.416900    
 H   -5.383400      0.8657000      -1.961500    
 H   -5.553200      -2.507100      0.6953000    
 H    4.624800      -3.907400      -1.136500    
 H   -6.542200      -1.170400      -1.145600    
 H    1.529900       6.084000      2.4000001E-03


%chk=000056585-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056585

0 1
O 0.269478 -4.033459 -0.472486
O 5.176350 -2.943747 -0.968463
O 1.037486 5.587326 -0.617119
N -0.706827 -0.521050 0.497430
C 0.603888 0.042182 0.937390
C -0.746455 -1.998303 0.560834
C 0.201325 -2.559404 -0.511986
C 1.780226 -0.774795 0.369995
C 1.601520 -2.016449 -0.293563
C -1.863312 0.115038 1.174703
C 0.706001 1.522515 0.554846
C 3.101880 -0.292652 0.552937
C 2.719953 -2.751950 -0.749371
C -3.183971 -0.139023 0.456558
C 0.936548 2.515328 1.533447
C 0.590405 1.923143 -0.802275
C 4.221666 -1.013854 0.102687
C 4.023642 -2.253368 -0.548045
C -3.264932 -0.036604 -0.956041
C -4.360118 -0.433927 1.188532
C 1.054213 3.879722 1.179800
C 0.701034 3.274455 -1.173449
C 0.935355 4.254666 -0.178471
C -4.497045 -0.221174 -1.620103
C -5.596913 -0.615851 0.526950
C -5.669341 -0.509718 -0.880686
H 0.683250 -0.013055 2.057249
H -1.783290 -2.323864 0.358297
H -0.448265 -2.399833 1.560077
H -0.177289 -2.228780 -1.504490
H -1.666791 1.203811 1.197615
H -1.951448 -0.215595 2.240429
H 3.253837 0.672293 1.049385
H 2.546225 -3.724857 -1.223784
H 1.023457 2.224469 2.587988
H 0.410274 1.158635 -1.565728
H 5.240106 -0.641202 0.244486
H -0.614985 -4.395561 -0.733165
H -2.349154 0.180476 -1.517022
H -4.308295 -0.521825 2.281319
H 1.231757 4.637982 1.953665
H 0.614460 3.593111 -2.216536
H -4.546925 -0.136703 -2.711958
H -6.498573 -0.843340 1.107087
H 4.929948 -3.801132 -1.396308
H -6.626126 -0.651688 -1.395908
H 1.204469 6.197109 0.143852


