%chk=000044486.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044486

0 1
 O   0.9034000       2.216100      3.5999999E-03
 O    2.694500      -2.038900     -2.7999999E-03
 N    1.874300      9.3599997E-02  3.0000001E-04
 N    1.649100      -1.379800     -1.9999999E-04
 C  -0.5635000      0.4415000      1.5000000E-03
 C   0.7861000      0.9829000      3.1000001E-03
 C   -1.210900      0.1778000       1.208500    
 C   -1.210600      0.1853000      -1.207400    
 C   -2.505400     -0.3419000       1.206900    
 C   -2.505100     -0.3341000      -1.209200    
 C   -3.152400     -0.5978000     -2.0000001E-03
 C    3.240600      0.5954000     -2.3000001E-03
 H  -0.7165000      0.3736000       2.156600    
 H  -0.7159000      0.3870000      -2.154000    
 H   -3.009500     -0.5472000       2.146700    
 H   -3.009000     -0.5335000      -2.150400    
 H   -4.160400      -1.002400     -3.5000001E-03
 H    3.264100       1.688300     -1.7000000E-03
 H    3.752400      0.2350000     -0.8997000    
 H    3.756100      0.2338000      0.8924000    


%chk=000044486-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044486

0 1
O 1.083580 1.660473 -1.287813
O 2.865548 -1.646504 1.268733
N 1.960018 0.093280 0.177433
N 1.783055 -1.171734 0.788844
C -0.554093 0.216768 -0.253753
C 0.838929 0.706148 -0.496457
C -1.003096 -0.408208 0.941236
C -1.493453 0.503346 -1.284036
C -2.364939 -0.744924 1.091429
C -2.847375 0.145835 -1.136850
C -3.287861 -0.479970 0.053730
C 3.309074 0.691454 0.093136
H -0.302360 -0.626952 1.748949
H -1.139950 1.010844 -2.187049
H -2.704181 -1.218201 2.018831
H -3.557960 0.357798 -1.942640
H -4.342138 -0.752659 0.173984
H 3.222406 1.629186 -0.471262
H 3.997265 -0.002455 -0.419244
H 3.698929 0.871175 1.109200


