%chk=000170965.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170965

0 1
 O    1.730100       1.895700      0.9398000    
 O   -4.135100      -1.515500      4.7699999E-02
 O   -3.010400       1.521500      -1.515400    
 O   -2.685300      -1.220200       1.675200    
 O   -2.448900       1.689100      0.6044000    
 N   -3.061500      -1.097200      0.5021000    
 N   -2.564800       1.060700     -0.4558000    
 C  -0.6717000     -0.5273000      3.0999999E-02
 C   0.3557000      0.1695000     -0.8750000    
 C   -2.120700     -0.3789000     -0.4350000    
 C    1.788200     -5.0200000E-02 -0.4583000    
 C    2.399400      0.8251000      0.4276000    
 C    2.474300      -1.139100     -0.9771000    
 C    3.725100      0.6072000      0.8027000    
 C    3.800100      -1.356800     -0.6020000    
 C    4.425500     -0.4836000      0.2879000    
 H  -0.5411000     -0.1369000       1.049900    
 H  -0.4254000      -1.596800      8.7899998E-02
 H   0.1513000       1.246000     -0.9269000    
 H   0.2262000     -0.1901000      -1.905000    
 H   -2.274400     -0.7988000      -1.434800    
 H    1.996700      -1.827100      -1.669100    
 H    4.224800       1.279300       1.495300    
 H    4.345200      -2.206700      -1.002200    
 H    5.457700     -0.6535000      0.5801000    
 H    2.322400       2.384500       1.536700    


%chk=000170965-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000170965

0 1
O 1.456326 1.642795 1.001847
O -4.322687 -1.006887 0.288608
O -2.582193 1.576890 -1.693714
O -2.638148 -1.441350 1.770932
O -2.700010 1.801285 0.581050
N -3.095618 -0.985549 0.667422
N -2.512224 1.130962 -0.493061
C -0.643906 -0.471568 0.099695
C 0.338904 0.026358 -0.997658
C -2.099639 -0.353722 -0.342440
C 1.784377 -0.149430 -0.562999
C 2.330097 0.681434 0.453290
C 2.629317 -1.126817 -1.137491
C 3.670266 0.544465 0.878596
C 3.973248 -1.281038 -0.723194
C 4.491883 -0.440989 0.287029
H -0.492833 0.099599 1.030766
H -0.447455 -1.535103 0.324964
H 0.144141 1.095288 -1.202938
H 0.165683 -0.530208 -1.938120
H -2.319552 -0.819149 -1.316455
H 2.226714 -1.772141 -1.927779
H 4.071631 1.198314 1.663820
H 4.607252 -2.043805 -1.186271
H 5.530954 -0.547976 0.616255
H 1.916872 2.208243 1.669547


