%chk=000094620.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094620

0 1
 O    3.966000       1.605500     -0.1383000    
 N    3.185300     -0.6170000     -0.1405000    
 N   -4.260700      0.1400000     -0.3015000    
 N   -2.310500     -9.5200002E-02  0.6967000    
 N   -2.900800      5.5999998E-03 -0.4008000    
 N    5.423300     -0.1275000     -0.4452000    
 C    1.812200     -0.4863000      6.9499999E-02
 C  -0.9336000     -0.2255000      0.4879000    
 C    1.246600      0.7799000      0.2200000    
 C    1.004700      -1.622300      0.1282000    
 C  -0.1262000      0.9103000      0.4293000    
 C  -0.3683000      -1.491800      0.3374000    
 C   -4.900200      0.7789000      0.8358000    
 C   -4.993000      5.0099999E-02  -1.548300    
 C    4.155200      0.3953000     -0.2303000    
 H    1.806700       1.704000      0.1866000    
 H    1.431900      -2.615200      1.2600000E-02
 H  -0.5586000       1.900800      0.5462000    
 H  -0.9891000      -2.382900      0.3822000    
 H    3.527600      -1.569500     -0.2416000    
 H   -4.416000      0.4935000       1.773000    
 H   -5.946600      0.4635000      0.8837000    
 H   -4.849400       1.863000      0.7037000    
 H   -5.097400       1.052500      -1.972200    
 H   -5.980200     -0.3798000      -1.357400    
 H   -4.456400     -0.5946000      -2.250700    
 H    6.232200      0.4785000     -0.5325000    
 H    5.583100      -1.126300     -0.5216000    


%chk=000094620-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094620

0 1
O 4.294053 1.178266 0.935175
N 3.277914 -0.584499 -0.274658
N -4.428025 0.049701 -0.222664
N -2.288946 0.546828 0.203485
N -3.118320 -0.299266 -0.376709
N 5.611447 -0.448297 -0.079665
C 1.895860 -0.275480 -0.135555
C -0.911444 0.199462 0.043218
C 1.410217 0.848238 0.584609
C 0.965903 -1.154182 -0.761696
C 0.022310 1.069743 0.663692
C -0.415969 -0.925671 -0.677132
C -4.833935 1.253945 0.518024
C -5.410310 -0.850065 -0.827413
C 4.375142 0.122012 0.241215
H 2.120157 1.523339 1.065029
H 1.335727 -2.025221 -1.320642
H -0.366713 1.932520 1.214833
H -1.123558 -1.605115 -1.161484
H 3.475153 -1.425425 -0.820681
H -4.488911 1.201545 1.567443
H -5.932275 1.333203 0.484540
H -4.373390 2.154854 0.072483
H -6.024520 -0.325249 -1.584632
H -6.088042 -1.278963 -0.063882
H -4.859539 -1.667756 -1.316826
H 6.434039 0.032220 0.275343
H 5.733776 -1.293188 -0.633549


