%chk=000000469.chk
%nprocshared=4
%mem=8GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000469

0 1
 O    3.191600       1.477100     -0.5902000    
 O    3.905300     -0.2937000      0.6440000    
 O   -4.372900      0.7746000      0.4752000    
 O   -3.524300      -1.022600     -0.6222000    
 N    1.704300      -1.715600      0.2229000    
 C   0.5268000      0.4477000      0.1582000    
 C  -0.8261000     -0.1921000     -0.1860000    
 C    1.707500     -0.3788000     -0.3680000    
 C   -2.008300      0.6356000      0.3207000    
 C    3.046900      0.2447000     -4.2800002E-02
 C   -3.350900      2.3000000E-02 -1.1800000E-02
 H   0.6104000      0.5751000       1.245600    
 H   0.5648000       1.456500     -0.2715000    
 H  -0.8927000      -1.197800      0.2463000    
 H  -0.9063000     -0.3133000      -1.273600    
 H    1.643700     -0.4841000      -1.457000    
 H   -1.943900      0.7347000       1.410100    
 H   -1.974700       1.634900     -0.1276000    
 H    1.798500      -1.652300       1.235800    
 H    2.505000      -2.248800     -0.1135000    
 H    4.060500       1.875700     -0.3704000    
 H   -5.247000      0.3787000      0.2713000    


%chk=000000469-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000469

0 1
O 3.241581 1.322016 -1.012047
O 3.830802 0.187013 0.928906
O -4.402524 0.641217 0.635551
O -3.557334 -0.646956 -1.100212
N 1.733357 -1.750807 0.391182
C 0.533204 0.428374 0.226293
C -0.814581 -0.168700 -0.224771
C 1.733679 -0.438061 -0.262686
C -2.006176 0.580287 0.400849
C 3.037233 0.347381 -0.024528
C -3.347037 0.104677 -0.123972
H 0.575433 0.490970 1.333255
H 0.648168 1.457246 -0.166551
H -0.843083 -1.236701 0.055365
H -0.895052 -0.127931 -1.327726
H 1.626807 -0.579631 -1.353831
H -2.013128 0.483798 1.503040
H -1.943107 1.668979 0.196261
H 1.999911 -1.700296 1.381452
H 2.275663 -2.465965 -0.103393
H 4.072139 1.834364 -0.811425
H -5.267756 0.327927 0.254488


