%chk=000002061.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002061

0 1
 O    2.659500       2.387000      0.1380000    
 O    2.621800      -2.395100     -0.1249000    
 O    3.998100     -3.1700000E-02  0.3125000    
 N   -4.929400      8.2599998E-02 -0.9372000    
 N   -2.102300     -0.2157000       2.505800    
 C  -5.2800000E-02  5.0400000E-02 -0.6000000    
 C   0.6178000      -1.169500     -0.5127000    
 C   0.6370000       1.242800     -0.3807000    
 C    1.997500       1.215400     -7.4199997E-02
 C    1.978200      -1.197000     -0.2061000    
 C    2.668200     -4.6999999E-03  1.3100000E-02
 C   -1.471400      7.9200000E-02 -0.9197000    
 C   -2.502200      1.5500000E-02 -4.0700000E-02
 C   -3.840600      5.2299999E-02 -0.5365000    
 C   -2.279400     -0.1115000       1.363500    
 H   8.1400000E-02  -2.100600     -0.6843000    
 H   0.1221000       2.199000     -0.4470000    
 H   -1.680200      0.1680000      -1.985300    
 H    3.589200       2.181000      0.3378000    
 H    1.987100      -3.109400     -0.3062000    
 H    4.290200     -0.9597000      0.3296000    


%chk=000002061-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002061

0 1
O 3.012038 2.323678 -0.885661
O 2.575328 -2.154809 0.760642
O 4.116809 -0.031379 0.053807
N -5.034819 0.635678 -0.694192
N -2.470738 -2.728024 0.717484
C -0.079645 0.309209 -0.302715
C 0.485170 -0.912938 0.184221
C 0.787157 1.388571 -0.658480
C 2.180402 1.262957 -0.535130
C 1.875839 -1.023275 0.300965
C 2.729315 0.050316 -0.052589
C -1.505268 0.547642 -0.469726
C -2.603877 -0.269404 -0.220250
C -3.931806 0.223992 -0.478547
C -2.527515 -1.610231 0.291339
H -0.151957 -1.755380 0.463813
H 0.380973 2.332807 -1.033646
H -1.759507 1.542906 -0.858899
H 3.961251 2.069794 -0.741144
H 1.973611 -2.899454 1.001995
H 4.377038 -0.924352 0.401514


