%chk=000005526.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005526

0 1
 O   -3.456900     -0.5686000     -0.6659000    
 O   -2.921400      0.9529000      0.9238000    
 N    4.009100      0.7180000      0.1620000    
 C    1.734800     -0.2028000      0.2753000    
 C    1.151600      0.9610000     -0.5373000    
 C   0.8975000      -1.474900      8.6199999E-02
 C   -1.149500     -7.1400002E-02 -0.3882000    
 C  -0.3197000       1.199100     -0.2043000    
 C  -0.5741000      -1.236400      0.4176000    
 C    3.191400     -0.4535000     -0.1110000    
 C   -2.562800      0.1765000      4.1600000E-02
 H    1.695300      6.7800000E-02   1.340300    
 H    1.247800      0.7535000      -1.610900    
 H    1.702100       1.888500     -0.3424000    
 H    1.285500      -2.276900      0.7255000    
 H   0.9811000      -1.826500     -0.9501000    
 H   -1.152800     -0.3238000      -1.456800    
 H  -0.3946000       1.560500      0.8298000    
 H  -0.7148000       2.000800     -0.8404000    
 H   -1.145300      -2.151200      0.2174000    
 H  -0.6774000      -1.038800       1.492800    
 H    3.269700     -0.7060000      -1.174500    
 H    3.588500      -1.303500      0.4556000    
 H    4.983900      0.5083000     -4.8700001E-02
 H    3.972900      0.9403000       1.156000    
 H   -4.379600     -0.4001000     -0.3784000    


%chk=000005526-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005526

0 1
O -3.507818 -0.593612 -0.730044
O -3.025143 0.933098 0.948179
N 4.083666 0.689432 0.263704
C 1.750049 -0.204194 0.266463
C 1.158135 0.958958 -0.563298
C 0.893380 -1.480895 0.085387
C -1.176645 -0.048179 -0.385370
C -0.319504 1.229581 -0.205032
C -0.588737 -1.233015 0.447272
C 3.233575 -0.468590 -0.081016
C -2.615571 0.185327 0.031731
H 1.698115 0.084462 1.341789
H 1.237831 0.702730 -1.641933
H 1.771543 1.864213 -0.406345
H 1.291750 -2.302740 0.713723
H 0.964179 -1.820863 -0.969761
H -1.178849 -0.351689 -1.450268
H -0.404546 1.570966 0.844730
H -0.722820 2.044213 -0.836536
H -1.187169 -2.146240 0.269486
H -0.670382 -0.985757 1.524810
H 3.318897 -0.639114 -1.172889
H 3.548740 -1.419419 0.417570
H 5.011172 0.684661 -0.169832
H 4.132936 0.880153 1.269837
H -4.434485 -0.440689 -0.397359


