%chk=000129308.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129308

1 1
 O    4.565700      -1.579400     -0.3039000    
 N   -4.596500     -0.2121000     -3.4000002E-02
 N    3.782700      0.6057000      0.1096000    
 C   -1.821900      5.8800001E-02  1.2000000E-02
 C  -0.3819000      0.1990000      3.7900001E-02
 C   -2.618000       1.121300     -0.4013000    
 C   -2.410700      -1.138800      0.4024000    
 C   0.1929000       1.448300      0.2714000    
 C   0.4312000     -0.9148000     -0.1717000    
 C    2.394200      0.4699000      8.5400000E-02
 C   -4.001000      0.9733000     -0.4197000    
 C   -3.796000      -1.261300      0.3748000    
 C    1.580900       1.583700      0.2951000    
 C    1.819300     -0.7794000     -0.1480000    
 C   -6.043800     -0.3540000     -5.7700001E-02
 C    4.752500     -0.3882000     -7.7699997E-02
 C    6.150400      0.1681000      2.5400000E-02
 H   -2.209200       2.067300     -0.7434000    
 H   -1.838400      -1.988100      0.7634000    
 H  -0.3994000       2.337300      0.4696000    
 H   2.7600000E-02  -1.900400     -0.3875000    
 H   -4.669900       1.765000     -0.7345000    
 H   -4.309700      -2.165400      0.6782000    
 H    2.015900       2.561900      0.4846000    
 H    2.383200      -1.684600     -0.3255000    
 H   -6.456700      0.2799000     -0.8465000    
 H   -6.301100      -1.396200     -0.2629000    
 H   -6.421900     -4.8300002E-02  0.9207000    
 H    4.123700       1.548400      0.2862000    
 H    6.308900      0.9158000     -0.7568000    
 H    6.880000     -0.6369000     -9.8999999E-02
 H    6.295300      0.6288000       1.006500    


%chk=000129308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129308

1 1
O 4.640334 -1.596701 -0.076570
N -4.690204 -0.209636 -0.041129
N 3.862608 0.614479 0.076096
C -1.843001 0.048977 -0.002329
C -0.385935 0.179687 0.014705
C -2.713027 1.162386 -0.256377
C -2.504675 -1.203419 0.231552
C 0.246086 1.459904 0.113447
C 0.466424 -0.965796 -0.067732
C 2.473262 0.425204 0.050793
C -4.095881 1.016139 -0.270627
C -3.890978 -1.308406 0.209325
C 1.637086 1.581586 0.137276
C 1.861351 -0.861925 -0.057340
C -6.175005 -0.335924 -0.016096
C 4.890035 -0.367518 0.011927
C 6.293485 0.215148 0.057171
H -2.311211 2.153294 -0.475462
H -1.936995 -2.107571 0.457820
H -0.351111 2.372062 0.210266
H 0.038974 -1.967431 -0.179882
H -4.767007 1.853844 -0.471115
H -4.404998 -2.253361 0.396707
H 2.090354 2.575424 0.232185
H 2.493867 -1.747067 -0.136675
H -6.619802 0.405880 -0.696213
H -6.466037 -1.341626 -0.354492
H -6.552054 -0.168783 1.006768
H 4.183695 1.584743 0.147622
H 6.480315 0.877905 -0.808113
H 7.019766 -0.608842 0.029932
H 6.458577 0.801945 0.979659


