%chk=000097244.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097244

0 1
 S    1.202800      0.5680000     -0.6264000    
 O   -1.322100       2.561100      8.1000002E-03
 O   -3.049400      -1.558900     -0.9065000    
 N   -2.269600      0.5114000     -0.4136000    
 N  -0.5119000     -0.7132000       1.187400    
 N   -1.387800      -1.416700      0.6455000    
 C  -0.1110000      0.5885000      0.6413000    
 C   -1.286700       1.334600      8.0399998E-02
 C    2.438100     -0.3630000      0.3057000    
 C   -2.261800     -0.8640000     -0.2625000    
 C    3.675100     -0.5427000     -0.5142000    
 C    4.884400     -0.1051000     -0.1453000    
 H   0.2618000       1.187000       1.480600    
 H    2.655000      0.1633000       1.241300    
 H    2.043100      -1.353400      0.5532000    
 H   -3.028200      0.9322000     -0.9419000    
 H    3.588300      -1.086400      -1.452300    
 H    5.747800     -0.2790000     -0.7781000    
 H    5.035000      0.4303000      0.7855000    


%chk=000097244-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097244

0 1
S 1.225849 0.489572 -0.567593
O -1.428606 2.528439 0.474959
O -3.278539 -1.370252 -1.303373
N -2.324110 0.600663 -0.486495
N -0.496429 -1.072611 0.861505
N -1.488940 -1.626822 0.252609
C -0.201609 0.407937 0.700964
C -1.341112 1.299385 0.245110
C 2.645920 -0.108835 0.594171
C -2.426734 -0.803254 -0.595891
C 3.736763 -0.689951 -0.257863
C 4.951067 -0.107484 -0.432516
H 0.202763 0.769007 1.657712
H 2.981278 0.759545 1.182557
H 2.180677 -0.869415 1.242679
H -3.072678 1.158778 -0.917708
H 3.506146 -1.642399 -0.753405
H 5.724063 -0.576576 -1.050437
H 5.207131 0.848272 0.041216


