%chk=000028281.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028281

0 1
 O   -3.518500      -1.060900      3.0999999E-02
 O  -0.8467000       1.964100       1.441900    
 O   -1.211600      -2.123700     -0.8950000    
 O    4.094600       1.802200      0.1967000    
 O    4.264700      7.8699999E-02  -1.270800    
 N  -0.1146000      -1.269800      0.9627000    
 C   -2.215900      0.9697000     -0.3317000    
 C   -2.310200     -0.4017000      0.4008000    
 C  -0.9108000       1.714400      4.1900001E-02
 C   -3.424300       1.838500      9.2299998E-02
 C   -2.291600      0.7864000      -1.860600    
 C   -1.173300      -1.367600      7.4000001E-02
 C    1.087100      -2.063300      0.8454000    
 C    2.162200      -1.389200     -5.7999999E-03
 C    2.657300     -5.3700000E-02  0.5555000    
 C    3.751400      0.5761000     -0.2784000    
 H   -2.355000     -0.2537000       1.486000    
 H  -0.8505000       2.680700     -0.4729000    
 H  -3.2400001E-02   1.145100     -0.2636000    
 H   -4.368700       1.411500     -0.2639000    
 H   -3.346800       2.849900     -0.3227000    
 H   -3.499100       1.926600       1.181500    
 H   -2.225600       1.756900      -2.367100    
 H   -3.231400      0.3259000      -2.181200    
 H   -1.464500      0.1752000      -2.235300    
 H  -0.1668000     -0.6048000       1.728700    
 H    1.460300      -2.238000       1.860000    
 H   0.8300000      -3.034800      0.4093000    
 H   -3.453800      -1.332700     -0.8995000    
 H    1.776300      -1.228200      -1.020600    
 H    3.011900      -2.076300     -0.1035000    
 H   -1.466800       2.684500       1.644000    
 H    3.063100     -0.2148000       1.561000    
 H    1.837900      0.6630000      0.6287000    
 H    4.796200       2.221000     -0.3461000    


%chk=000028281-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028281

0 1
O -3.701007 -1.028712 0.028844
O -0.486503 1.649771 1.241385
O -1.501463 -2.393955 -0.576707
O 4.624776 1.509271 0.688770
O 3.928172 0.705026 -1.373528
N -0.135270 -1.121257 0.841098
C -2.310305 0.983052 -0.410506
C -2.456623 -0.366566 0.396297
C -0.927051 1.644916 -0.179061
C -3.444931 1.926006 0.068838
C -2.455464 0.714540 -1.928850
C -1.302384 -1.377692 0.172642
C 1.065629 -1.964862 0.714612
C 2.215418 -1.267579 -0.048650
C 2.769369 -0.029780 0.691101
C 3.797750 0.722574 -0.129734
H -2.515778 -0.121466 1.474285
H -0.941479 2.682456 -0.568365
H -0.132089 1.087970 -0.701310
H -4.414648 1.404038 0.004350
H -3.491409 2.837419 -0.555920
H -3.307652 2.236488 1.125073
H -2.308898 1.645989 -2.507635
H -3.466677 0.331486 -2.145153
H -1.723515 -0.033698 -2.284585
H -0.095550 -0.238578 1.375518
H 1.405242 -2.263202 1.726326
H 0.757637 -2.876900 0.175518
H -3.423611 -1.831534 -0.505357
H 1.870381 -0.976625 -1.057017
H 3.031408 -2.001061 -0.195612
H -1.053895 2.265535 1.766814
H 3.223165 -0.302736 1.661191
H 1.957805 0.691812 0.922511
H 5.263550 2.015051 0.115518


