%chk=000103686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103686

0 1
 S    4.268400      0.3157000      0.9191000    
 O    2.180200       2.260200      0.2393000    
 N   -4.947700     -0.5747000       1.829000    
 C   -2.312400      0.1801000     -0.3490000    
 C   -3.762200     -0.1380000     -0.4958000    
 C   0.3987000      0.7768000     -7.1199998E-02
 C   -1.446300     -0.7567000      0.2152000    
 C   -1.822800       1.415200     -0.7741000    
 C  -9.0899996E-02 -0.4582000      0.3541000    
 C  -0.4673000       1.713500     -0.6352000    
 C   -4.013700      -1.338500      -1.428000    
 C    1.812200       1.088000      7.1900003E-02
 C    2.872400      3.6200002E-02  2.5500000E-02
 C    2.826900      -1.112000     -0.6571000    
 C   -4.424800     -0.3750000      0.8124000    
 C    4.029200      -1.847000     -0.4467000    
 C    4.900300      -1.185400      0.3905000    
 H   -4.270800      0.7210000     -0.9549000    
 H   -1.808900      -1.720600      0.5623000    
 H   -2.483400       2.156000      -1.216600    
 H   0.5442000      -1.197500      0.8333000    
 H  -0.1041000       2.679200     -0.9770000    
 H   -5.088300      -1.489500      -1.583100    
 H   -3.610000      -2.271000      -1.017100    
 H   -3.550800      -1.174900      -2.407600    
 H    2.021600      -1.448200      -1.296900    
 H    4.246200      -2.809900     -0.8905000    
 H    5.878200      -1.511200      0.7160000    


%chk=000103686-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103686

0 1
S 4.586857 0.585282 0.430017
O 2.189691 2.340768 -0.154263
N -4.809056 -1.650010 1.668968
C -2.378685 0.140522 -0.222639
C -3.878353 -0.166728 -0.348101
C 0.413088 0.712438 -0.147166
C -1.494415 -0.694790 0.500467
C -1.856009 1.277732 -0.892030
C -0.111437 -0.415971 0.535150
C -0.480743 1.566475 -0.847031
C -4.195976 -0.877469 -1.704317
C 1.864342 1.109099 -0.098119
C 2.902218 0.066029 -0.001862
C 2.864299 -1.304610 -0.281648
C -4.386554 -0.980157 0.776673
C 4.133050 -1.960785 -0.144224
C 5.151730 -1.095325 0.240051
H -4.434275 0.792204 -0.328517
H -1.888320 -1.553044 1.056573
H -2.531899 1.945509 -1.440542
H 0.550044 -1.049954 1.134004
H -0.073941 2.457802 -1.335415
H -5.279960 -1.055255 -1.808715
H -3.670570 -1.845190 -1.765423
H -3.856433 -0.243811 -2.541221
H 1.956978 -1.814622 -0.611793
H 4.288333 -3.026704 -0.325530
H 6.200094 -1.325837 0.424455


