%chk=000015047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015047

0 1
 O    1.414900      0.5721000      0.9889000    
 O    1.187300      -2.324900      -1.114800    
 O    3.361100      -1.655500      0.3806000    
 O    2.549200       3.035300      0.2802000    
 O   -1.554800      -2.296000      0.7261000    
 O   -4.634500      0.9592000     -0.3756000    
 N   -3.104900     -0.6774000      0.1786000    
 N   -2.396900       1.492500     -0.3268000    
 C    1.395000     -0.9591000     -0.8154000    
 C    2.836400     -0.6402000     -0.4741000    
 C   0.6720000     -0.5400000      0.4571000    
 C    2.694700      0.6511000      0.3225000    
 C  -0.7394000     -0.1189000      0.2302000    
 C    2.696000       1.897800     -0.5517000    
 C   -1.814400      -1.139000      0.4055000    
 C   -1.096200       1.122600     -0.1221000    
 C   -3.465300      0.6207000     -0.1892000    
 H    1.079500     -0.3602000      -1.678500    
 H    3.491000     -0.5689000      -1.346500    
 H   0.7074000      -1.329700       1.217300    
 H    3.454800      0.7417000       1.106800    
 H    1.866800       1.897200      -1.265200    
 H    3.639200       1.985300      -1.099900    
 H   0.2348000      -2.452500      -1.261700    
 H    2.893700      -1.626900       1.231900    
 H  -0.3798000       1.920300     -0.2726000    
 H    2.558000       3.816700     -0.2984000    
 H   -3.859600      -1.348600      0.2899000    
 H   -2.579400       2.455500     -0.5932000    


%chk=000015047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015047

0 1
O 1.236243 1.061332 0.501300
O 1.247838 -2.455485 -0.576572
O 3.376825 -1.469893 0.580356
O 3.132167 3.207168 0.008553
O -1.415211 -2.361504 -0.116773
O -4.992933 0.648971 -0.194801
N -3.165287 -0.830984 -0.123394
N -2.819252 1.475111 0.138228
C 1.319577 -1.010598 -0.685921
C 2.791967 -0.580907 -0.416912
C 0.563605 -0.245461 0.441311
C 2.684694 0.843742 0.184079
C -0.910722 -0.003248 0.228866
C 3.157063 1.951468 -0.751280
C -1.792110 -1.144326 -0.005173
C -1.455081 1.260635 0.289056
C -3.759419 0.444961 -0.068319
H 0.980699 -0.653341 -1.679650
H 3.391188 -0.605189 -1.349454
H 0.725909 -0.812296 1.385810
H 3.259562 0.878611 1.127082
H 2.493702 2.005836 -1.641419
H 4.190234 1.707064 -1.081630
H 0.282604 -2.698986 -0.406000
H 2.928945 -2.353907 0.438658
H -0.815527 2.129770 0.457827
H 3.485762 3.939639 -0.555746
H -3.805506 -1.615763 -0.284353
H -3.210935 2.417782 0.186169


