%chk=000002105.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002105

0 1
 O   0.2079000       2.845700      0.8504000    
 O    1.131200       2.299100      -1.148300    
 O   -3.690900     -0.6257000      -1.157100    
 O   -3.177500      -1.071700       1.011500    
 N    1.452000     -0.2585000     -0.5011000    
 N    2.827100      -2.056900     -0.9862000    
 N    2.434700      -1.620600       1.216300    
 C  -0.5765000     -4.3099999E-02  0.8130000    
 C   0.8030000      0.5605000      0.5281000    
 C   -1.485800     -0.1010000     -0.4141000    
 C   0.7429000       1.965200     -3.7300002E-02
 C   -2.852700     -0.6511000     -9.1200002E-02
 C    2.184800      -1.241900     -8.3999999E-02
 H  -0.4610000      -1.053900       1.224200    
 H   -1.070300      0.5491000       1.594300    
 H    1.398900      0.6423000       1.443800    
 H   -1.047500     -0.7431000      -1.185500    
 H   -1.627500      0.9038000     -0.8265000    
 H   0.1733000       3.755800      0.4859000    
 H    2.738800      -1.904100      -1.984900    
 H    3.404800      -2.833000     -0.6824000    
 H    3.037000      -2.412200       1.416200    
 H    2.016100      -1.164600       2.017900    
 H   -4.576800     -0.9834000     -0.9348000    


%chk=000002105-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002105

0 1
O 0.604957 2.912909 0.944448
O 0.800493 2.326929 -1.294682
O -3.772891 -0.594577 -1.130358
O -3.005173 -1.616263 0.804492
N 1.404334 -0.361578 -0.468736
N 2.921910 -2.065032 -0.981145
N 2.427736 -1.719399 1.282658
C -0.667333 0.122433 0.850072
C 0.794317 0.559260 0.491228
C -1.549021 -0.017553 -0.405774
C 0.754087 1.974268 -0.102429
C -2.801763 -0.819536 -0.140970
C 2.192453 -1.325636 -0.043974
H -0.623439 -0.855820 1.364016
H -1.104669 0.849547 1.558536
H 1.347147 0.657457 1.455284
H -0.961666 -0.535592 -1.191964
H -1.831198 0.958895 -0.836728
H 0.539288 3.825089 0.550485
H 2.843694 -1.741006 -1.943763
H 3.107276 -3.053204 -0.818113
H 3.300029 -2.177770 1.536064
H 1.830566 -1.379267 2.030292
H -4.565134 -1.167856 -0.940739


