%chk=000021445.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021445

0 1
 S    3.422800      0.7536000     -0.3640000    
 O  -0.2184000     -0.7967000     -0.5235000    
 O   0.6718000       1.124700      -1.431700    
 N    5.424600     -0.6327000       1.119200    
 C   -1.536400     -0.2602000     -0.4824000    
 C   -2.540800      -1.385600     -0.2378000    
 C   -1.619500      0.8136000      0.6014000    
 C   -3.960300     -0.8483000     -8.8100001E-02
 C   -3.038900       1.351200      0.7511000    
 C   -4.043000      0.2266000      0.9932000    
 C   0.7872000      0.1040000     -0.7679000    
 C    2.041700     -0.3805000     -8.5699998E-02
 C    4.609100     -6.9700003E-02  0.5162000    
 H   -1.759600      0.1858000      -1.461200    
 H   -2.255600      -1.944600      0.6630000    
 H   -2.495800      -2.108200      -1.061500    
 H  -0.9519000       1.656000      0.3920000    
 H   -1.277700      0.3969000       1.558200    
 H   -4.642400      -1.670300      0.1562000    
 H   -4.294500     -0.4290000      -1.045000    
 H   -3.318600       1.901000     -0.1561000    
 H   -3.078200       2.064400       1.582200    
 H   -5.057600      0.6391000       1.025900    
 H   -3.850900     -0.2277000       1.973100    
 H    2.297800      -1.365900     -0.4873000    
 H    1.845900     -0.4537000      0.9889000    


%chk=000021445-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021445

0 1
S 3.645627 0.539880 -0.797456
O -0.120505 -0.579871 0.121998
O 0.802562 1.179618 -1.119024
N 5.921841 -1.004684 0.257800
C -1.528897 -0.092422 -0.158577
C -2.432062 -1.326978 -0.065076
C -1.903137 0.995750 0.861427
C -3.915267 -0.913423 -0.250877
C -3.385256 1.409514 0.669637
C -4.326116 0.184234 0.760666
C 0.921443 0.158247 -0.404912
C 2.242802 -0.469381 0.015573
C 4.972804 -0.398318 -0.154478
H -1.527525 0.331302 -1.181606
H -2.296038 -1.795760 0.929069
H -2.133689 -2.071646 -0.825727
H -1.237814 1.870075 0.743389
H -1.758552 0.590871 1.882468
H -4.561511 -1.804042 -0.138983
H -4.067961 -0.536067 -1.282863
H -3.506922 1.895683 -0.319987
H -3.657357 2.165044 1.430146
H -5.373001 0.493924 0.579958
H -4.285870 -0.231657 1.788314
H 2.308195 -1.515045 -0.321949
H 2.363006 -0.431049 1.109471


