%chk=000012968.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012968

0 1
 S    2.015200      0.1904000     -0.3160000    
 O   0.6627000      -1.794900      0.7076000    
 N  -0.6550000      1.3300000E-02  7.2300002E-02
 C  -0.7382000       1.352700     -0.5124000    
 C   -1.930300     -0.5576000      0.4888000    
 C  -0.6078000       2.452200      0.5347000    
 C   -2.601400      -1.353300     -0.6243000    
 C   0.5621000     -0.6708000      0.2209000    
 C  -0.7152000       3.848500     -6.1900001E-02
 C   -3.944100      -1.934700     -0.2047000    
 C    3.293300      -1.030800      5.4099999E-02
 C    4.658700     -0.5151000     -0.3590000    
 H   -1.708800       1.443700      -1.016700    
 H   2.3000001E-03   1.485800      -1.306200    
 H   -2.585400      0.2424000      0.8522000    
 H   -1.741600      -1.226400       1.337100    
 H   -1.388700       2.334000       1.295500    
 H   0.3479000       2.365700       1.063500    
 H   -2.751500     -0.7140000      -1.502400    
 H   -1.941800      -2.168900     -0.9448000    
 H   -1.680900       3.988300     -0.5578000    
 H  -0.6225000       4.605100      0.7233000    
 H   7.7600002E-02   4.020700     -0.7967000    
 H   -4.641100      -1.140600      8.1200004E-02
 H   -4.388900      -2.497800      -1.031000    
 H   -3.826900      -2.613000      0.6463000    
 H    3.292000      -1.246000       1.127500    
 H    3.077000      -1.960000     -0.4830000    
 H    4.704600     -0.3140000      -1.434800    
 H    4.922000      0.4023000      0.1785000    
 H    5.424700      -1.263500     -0.1299000    


%chk=000012968-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012968

0 1
S 2.047130 0.355507 -1.066236
O 0.831040 -1.749193 0.258308
N -0.546338 0.095018 -0.138810
C -0.758579 1.452707 -0.687724
C -1.690626 -0.566514 0.539975
C -0.491531 2.578455 0.340043
C -2.566066 -1.397746 -0.426208
C 0.647077 -0.589799 -0.206121
C -0.775486 3.973693 -0.255395
C -3.770769 -2.032178 0.301080
C 3.396606 -0.954232 -0.826917
C 4.114051 -0.815553 0.521579
H -1.806238 1.511257 -1.041976
H -0.114847 1.594225 -1.575526
H -2.297988 0.221526 1.026158
H -1.286626 -1.224424 1.329376
H -1.123624 2.413682 1.234939
H 0.561211 2.512902 0.672120
H -2.922630 -0.751584 -1.252988
H -1.936815 -2.185917 -0.879129
H -1.828370 4.065795 -0.583823
H -0.584591 4.767939 0.488097
H -0.129792 4.171767 -1.131331
H -4.422073 -1.259799 0.752788
H -4.387587 -2.625649 -0.397190
H -3.435765 -2.707449 1.110366
H 2.885299 -1.927282 -0.908722
H 4.072768 -0.813170 -1.686813
H 4.574627 0.181354 0.636489
H 3.403271 -0.974040 1.350137
H 4.913262 -1.577601 0.605352


