%chk=000019814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019814

0 1
 O    2.587200      -1.022500       1.271100    
 N   -2.032200      0.4608000     -0.2747000    
 C   -3.859900     -0.9904000     -0.3282000    
 C   -2.636700      -1.749000      0.1777000    
 C   -3.493000      0.4812000     -0.2077000    
 C   -1.629800     -0.6732000      0.5571000    
 C   -1.438000       1.713200      0.1684000    
 C   2.4300000E-02   1.655200      8.7399997E-02
 C    2.689700       1.542100     -5.5000000E-02
 C    3.167100      0.2474000     -0.7083000    
 C    1.222800       1.606800      2.2700001E-02
 C    2.770700      -1.007900      5.4900002E-02
 C    2.628000      -2.263800     -0.7654000    
 H   -4.056300      -1.258400      -1.373100    
 H   -4.755400      -1.230300      0.2539000    
 H   -2.881300      -2.388800       1.031600    
 H   -2.241800      -2.389200     -0.6200000    
 H   -3.935600       1.074100      -1.014200    
 H   -3.851400      0.8742000      0.7525000    
 H   -1.719000     -0.4472000       1.627800    
 H  -0.6090000      -1.012700      0.3545000    
 H   -1.739800       1.960000       1.194400    
 H   -1.791300       2.529800     -0.4730000    
 H    3.062900       2.394700     -0.6337000    
 H    3.111900       1.629800      0.9529000    
 H    2.750800      0.1778000      -1.720700    
 H    4.259300      0.2499000     -0.7932000    
 H    1.816500      -2.139600      -1.486700    
 H    2.392700      -3.107300     -0.1104000    
 H    3.567400      -2.471100      -1.283700    


%chk=000019814-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019814

0 1
O 2.769528 -1.387395 1.022586
N -2.046677 0.331510 -0.238482
C -3.975866 -1.081100 -0.215254
C -2.840250 -1.719619 0.658540
C -3.516802 0.383589 -0.451875
C -1.861030 -0.553885 0.941858
C -1.424365 1.670921 -0.119716
C 0.042576 1.607131 0.022887
C 2.728336 1.409034 0.308751
C 3.306945 0.321822 -0.635897
C 1.266365 1.542752 0.167071
C 2.951463 -1.105444 -0.190992
C 2.838540 -2.152033 -1.289454
H -4.072974 -1.619507 -1.173227
H -4.958161 -1.112621 0.287848
H -3.224057 -2.160915 1.594694
H -2.327114 -2.517441 0.095227
H -3.750950 0.754892 -1.466083
H -4.015278 1.065249 0.286996
H -2.142176 -0.029533 1.892459
H -0.808076 -0.869634 1.029689
H -1.845939 2.241645 0.752175
H -1.681921 2.249061 -1.029397
H 3.218272 2.379107 0.098528
H 2.975314 1.130271 1.350885
H 2.976830 0.487152 -1.677296
H 4.415917 0.389608 -0.637332
H 1.895721 -1.983175 -1.846622
H 2.822353 -3.165955 -0.860496
H 3.664277 -2.059889 -2.019173


