%chk=000016248.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016248

0 1
 S    3.877100      6.0000003E-04 -8.0499999E-02
 O   -1.979600     -6.9999998E-04  0.9483000    
 O   -2.337000      2.4999999E-03  -1.349100    
 N   -4.123400     -3.0000001E-04  0.1310000    
 C    1.421300       1.207600      0.3512000    
 C    1.421800      -1.208500      0.3502000    
 C    2.108500     -1.9999999E-04  0.2299000    
 C   4.7499999E-02   1.207400      0.5927000    
 C   4.7899999E-02  -1.208600      0.5916000    
 C  -0.6391000     -6.9999998E-04  0.7128000    
 C    2.105900       2.532500      0.2320000    
 C    2.106800      -2.532800      0.2296000    
 C    3.920200      1.5000000E-03  -1.892400    
 C   -2.785700     -1.9999999E-04 -0.2066000    
 C   -5.192200      9.9999997E-05 -0.8406000    
 H  -0.5001000       2.141900      0.6895000    
 H  -0.4995000      -2.143300      0.6876000    
 H    2.898400       2.630800      0.9812000    
 H    2.525300       2.665900     -0.7702000    
 H    1.412200       3.364600      0.3988000    
 H    2.525900      -2.665200     -0.7728000    
 H    2.899600      -2.631500      0.9784000    
 H    1.413500      -3.365300      0.3959000    
 H    3.425700      0.8922000      -2.288300    
 H    3.426400     -0.8893000      -2.289100    
 H    4.960700      2.0000001E-03  -2.227300    
 H   -4.370000     -1.8000000E-03   1.115900    
 H   -4.803300      5.2999998E-03  -1.861500    
 H   -5.805400      0.8887000     -0.6725000    
 H   -5.799700     -0.8938000     -0.6795000    


%chk=000016248-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016248

0 1
S 3.973298 0.000377 0.034632
O -2.054932 -0.000928 0.831177
O -2.565411 0.001407 -1.494530
N -4.224429 -0.000517 0.179602
C 1.437254 1.244244 0.320614
C 1.437594 -1.244549 0.319206
C 2.127180 -0.000008 0.228287
C 0.031637 1.226006 0.496531
C 0.031966 -1.226888 0.495118
C -0.647780 -0.000579 0.578282
C 2.161709 2.575671 0.237811
C 2.162409 -2.575687 0.234934
C 4.086169 0.001290 -1.857597
C -2.936633 0.000197 -0.299635
C -5.386502 -0.000222 -0.711848
H -0.531669 2.161774 0.568996
H -0.531094 -2.162886 0.566525
H 2.948507 2.652179 1.008590
H 2.668987 2.700491 -0.736788
H 1.456787 3.414418 0.366026
H 2.669426 -2.699444 -0.739937
H 2.949458 -2.652684 1.005405
H 1.457767 -3.414758 0.362557
H 3.605312 0.903787 -2.264542
H 3.606073 -0.901225 -2.265400
H 5.159807 0.001860 -2.103636
H -4.344883 -0.001777 1.192637
H -5.017813 0.004423 -1.749883
H -6.012366 0.897610 -0.555104
H -6.008132 -0.902182 -0.561829


