%chk=000080644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080644

0 1
 S  -0.2899000     -0.2830000     -0.4649000    
 O  -0.6553000      0.4242000      -1.677800    
 O  -0.5632000      -1.702000     -0.3364000    
 N    1.363900      1.4500000E-02 -0.1071000    
 C   -1.092000      0.5401000      0.8946000    
 C   -2.596900      0.4192000      0.8062000    
 C    1.815600       1.426300     -3.0400001E-02
 C    2.017800     -0.8394000      0.9158000    
 H  -0.7327000      8.7300003E-02   1.822700    
 H  -0.8086000       1.595600      0.8700000    
 H   -3.070200      0.9313000       1.649500    
 H   -2.976800      0.8648000     -0.1187000    
 H   -2.911800     -0.6291000      0.8250000    
 H    1.623400       1.843400      0.9621000    
 H    1.312500       2.036700     -0.7854000    
 H    2.889700       1.477000     -0.2352000    
 H    1.835500      -1.896500      0.7049000    
 H    1.649900     -0.5942000       1.915800    
 H    3.101500     -0.6873000      0.8912000    


%chk=000080644-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080644

0 1
S -0.265100 -0.173310 -0.443730
O -0.600564 0.785640 -1.713777
O -0.540907 -1.775862 -0.461967
N 1.572690 0.023333 -0.128567
C -1.276567 0.546455 1.082002
C -2.764203 0.335755 0.814015
C 2.009919 1.432475 -0.159562
C 2.052014 -0.816309 0.986352
H -0.891099 -0.022219 1.943476
H -0.970474 1.604139 1.120727
H -3.348773 0.729473 1.666711
H -3.083591 0.867503 -0.098397
H -2.998413 -0.736359 0.700009
H 1.857083 1.979664 0.799024
H 1.481471 1.952205 -0.976722
H 3.089608 1.441326 -0.396071
H 1.561330 -1.802613 0.927349
H 1.890580 -0.372015 1.995639
H 3.137397 -0.970378 0.845387


