%chk=000090543.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090543

0 1
 S   0.4344000       2.070200      0.1542000    
 O   0.2739000       2.606200      -1.183800    
 O   0.9376000       2.907100       1.226200    
 O   -1.809400      0.6221000      -1.431700    
 N   -1.028300       1.337500      0.6500000    
 N   -3.064000      0.1986000      0.4633000    
 C    1.501800      0.6645000      5.9200000E-02
 C   -4.149900     -0.4907000     -0.1930000    
 C   -3.912600      -1.993300     -0.2847000    
 C    1.597100     -3.1700000E-02  -1.133500    
 C    2.222300      0.2855000       1.178700    
 C    3.172400      -1.537500     -9.0700001E-02
 C   -1.972800      0.7028000     -0.2179000    
 C    2.438900      -1.141400      -1.208900    
 C    3.064100     -0.8243000       1.103100    
 C   -3.778400      -2.652000       1.080900    
 C    4.072900      -2.723700     -0.1713000    
 H   -4.281200     -7.6099999E-02  -1.198500    
 H   -5.060000     -0.2806000      0.3789000    
 H   -4.749700      -2.453800     -0.8218000    
 H   -3.005500      -2.194300     -0.8669000    
 H   -1.262300       1.395400       1.649200    
 H    1.032100      0.2588000      -2.013600    
 H    2.146300      0.8224000       2.119100    
 H   -3.103300      0.3113000       1.471500    
 H    2.515600      -1.688400      -2.144800    
 H    3.630600      -1.123400       1.981000    
 H   -4.664900      -2.465100       1.695300    
 H   -3.668200      -3.735100      0.9662000    
 H   -2.900300      -2.282900       1.619800    
 H    4.145000      -3.231400      0.7966000    
 H    3.695600      -3.458400     -0.8907000    
 H    5.076000      -2.413400     -0.4804000    


%chk=000090543-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090543

0 1
S 0.453582 1.979827 0.406814
O 0.289777 2.845128 -0.947328
O 0.827327 2.701571 1.817591
O -1.417998 0.048940 -1.157573
N -1.150364 1.181830 0.874321
N -3.224377 0.216014 0.324973
C 1.638929 0.544834 0.125892
C -4.112960 -0.630937 -0.494117
C -4.091182 -2.126010 -0.096509
C 1.669301 -0.079214 -1.130178
C 2.483502 0.207695 1.194818
C 3.498224 -1.499493 -0.268698
C -1.914777 0.458720 -0.065725
C 2.615243 -1.111524 -1.312026
C 3.416767 -0.830397 0.981554
C -4.584227 -2.391375 1.341599
C 4.529022 -2.589858 -0.495669
H -3.784187 -0.519304 -1.541564
H -5.140921 -0.228643 -0.410131
H -4.728225 -2.676177 -0.817421
H -3.061167 -2.508843 -0.224761
H -1.533180 1.622944 1.719584
H 0.968452 0.213857 -1.915778
H 2.420541 0.747251 2.145167
H -3.564387 0.557733 1.223847
H 2.662117 -1.625515 -2.278661
H 4.091298 -1.119433 1.795522
H -5.615830 -2.016557 1.487589
H -4.585925 -3.472656 1.568150
H -3.931147 -1.900003 2.087131
H 4.776079 -3.117591 0.441690
H 4.175615 -3.335762 -1.228451
H 5.470878 -2.162150 -0.890650


