%chk=000114629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114629

0 1
 S    3.612300     -0.2311000     -0.7089000    
 O   -1.584100      -2.359500      7.8999996E-03
 O   -2.721500       2.071800     -0.3003000    
 N  -0.7832000      0.9887000      0.4340000    
 N   -2.490400     -0.2425000     -0.2883000    
 C  -0.3093000     -0.3659000      0.5841000    
 C   0.9262000     -0.6383000     -0.2484000    
 C   -1.516700      -1.140200      7.5800002E-02
 C    2.139900      0.1121000      0.2959000    
 C   -2.078400       1.054500     -8.1200004E-02
 C    4.805200      0.7505000      0.2293000    
 H  -0.1642000     -0.5710000       1.649300    
 H   0.7451000     -0.3542000      -1.294000    
 H    1.129500      -1.717200     -0.2470000    
 H  -0.2557000       1.809600      0.7142000    
 H    1.962400       1.191900      0.2842000    
 H    2.336800     -0.1957000       1.328200    
 H   -3.397100     -0.5016000     -0.6598000    
 H    4.511200       1.803400      0.2364000    
 H    5.788600      0.6682000     -0.2411000    
 H    4.879700      0.3817000       1.255600    


%chk=000114629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114629

0 1
S 3.683731 -0.298314 -0.696250
O -1.565639 -2.436749 -0.052354
O -2.919967 2.081275 -0.269828
N -0.894504 1.038222 0.434581
N -2.554337 -0.286955 -0.281977
C -0.354846 -0.326002 0.561092
C 0.936268 -0.602420 -0.249500
C -1.540018 -1.188897 0.050402
C 2.154449 0.134053 0.332708
C -2.193854 1.083472 -0.057347
C 4.951713 0.732987 0.237461
H -0.175791 -0.586826 1.624760
H 0.777169 -0.303049 -1.302214
H 1.108253 -1.695026 -0.234331
H -0.404664 1.888713 0.702999
H 2.022641 1.231577 0.294556
H 2.341177 -0.173621 1.378230
H -3.465592 -0.550101 -0.657442
H 4.687494 1.801921 0.193562
H 5.916855 0.573401 -0.267629
H 5.025763 0.397540 1.284422


