%chk=000047608.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047608

0 1
 O   -2.714100       2.419400     -0.1260000    
 N  -0.7148000       1.317000      0.3822000    
 N    3.384000       1.404300     -0.5383000    
 N    4.170700      0.2983000     -0.4399000    
 N    4.446000      -2.006800      9.5299996E-02
 N    3.909400      -3.260900      0.2529000    
 C   4.2599998E-02   2.554500      0.5697000    
 C   2.9899999E-02  6.7299999E-02  0.6098000    
 C    1.253100       2.577600     -0.3553000    
 C    1.486300      0.1461000      0.2347000    
 C    2.075700       1.330000     -0.1996000    
 C   -2.076300       1.385500      6.7400001E-02
 C    2.297700     -0.9782000      0.3353000    
 C   -2.827400      0.1252000     -4.2100001E-02
 C    3.627900     -0.8581000     -1.1200000E-02
 C   -3.449900     -0.4097000       1.082300    
 C   -2.910200     -0.5253000      -1.269900    
 C   -4.161500      -1.605000      0.9778000    
 C   -3.621600      -1.720600      -1.374300    
 C   -4.247600      -2.260500     -0.2506000    
 H   0.3513000       2.589900       1.622000    
 H  -0.5857000       3.431100      0.3825000    
 H  -0.4344000     -0.7538000      5.7399999E-02
 H  -5.2700002E-02 -0.1497000       1.681500    
 H    1.865200       3.460400     -0.1399000    
 H   0.9251000       2.641000      -1.400000    
 H    1.860600      -1.906600      0.6895000    
 H   -3.388000      9.3199998E-02   2.043700    
 H   -2.425500     -0.1131000      -2.151000    
 H    5.412700      -1.915400     -0.1932000    
 H   -4.648300      -2.025400       1.852900    
 H   -3.688100      -2.231100      -2.330600    
 H   -4.801400      -3.191200     -0.3320000    
 H    4.598400      -3.853900      0.7132000    
 H    3.758000      -3.669400     -0.6686000    


%chk=000047608-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047608

0 1
O -2.350639 2.358207 -0.768279
N -0.714396 1.281999 0.491358
N 3.356778 1.360938 -0.640889
N 4.161469 0.260860 -0.550608
N 4.557593 -1.957549 0.005221
N 4.217527 -3.217023 0.508658
C 0.042209 2.551074 0.620750
C 0.045857 0.069513 0.847181
C 1.228509 2.562929 -0.364713
C 1.488705 0.112600 0.343506
C 2.052765 1.298584 -0.216155
C -1.928057 1.298197 -0.201621
C 2.308261 -1.020558 0.446063
C -2.760723 0.039345 -0.232565
C 3.644938 -0.909353 -0.022894
C -2.981231 -0.760076 0.919392
C -3.445589 -0.273929 -1.434546
C -3.859109 -1.865236 0.864066
C -4.306301 -1.390026 -1.494981
C -4.515062 -2.189802 -0.345935
H 0.405119 2.635161 1.664018
H -0.653295 3.377329 0.409015
H -0.462213 -0.814226 0.427385
H 0.066599 -0.063060 1.950579
H 1.876900 3.440809 -0.196478
H 0.837378 2.642622 -1.397069
H 1.962349 -1.971742 0.861434
H -2.497791 -0.498372 1.867716
H -3.305489 0.376807 -2.303783
H 5.490725 -1.747965 -0.366648
H -4.036636 -2.465301 1.763375
H -4.822377 -1.630203 -2.430968
H -5.192435 -3.049907 -0.390471
H 4.677739 -3.473637 1.386368
H 4.157023 -3.962912 -0.189884


