%chk=000100211.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100211

0 1
 S    3.367800      0.2798000     -0.1160000    
 O    1.416200      -2.041900      0.2485000    
 O   -4.734500     -0.7481000     -0.3267000    
 O    3.812900       1.708500      0.5320000    
 O    3.448400      0.3756000      -1.561000    
 O    4.022300     -0.7889000      0.6143000    
 N   -1.244900      0.4714000     -0.2985000    
 C   -2.652800      0.4913000      7.4500002E-02
 C  -0.6124000     -0.7720000      0.1205000    
 C   0.8738000     -0.8168000     -0.2492000    
 C   -3.343100     -0.6973000     -0.6188000    
 C   -3.250100       1.828200     -0.3855000    
 C   -2.770000      0.3763000       1.601500    
 C    1.666400      0.3338000      0.3644000    
 H   -1.042700      -1.658500     -0.3533000    
 H  -0.6719000     -0.9273000       1.202700    
 H   -1.143200      0.5831000      -1.307100    
 H   0.9888000     -0.8276000      -1.338900    
 H   -2.977000      -1.667800     -0.2786000    
 H   -3.227100     -0.6585000      -1.708500    
 H   -4.297700       1.929100     -8.1299998E-02
 H   -3.209800       1.930000      -1.476400    
 H   -2.705400       2.675800      4.7800001E-02
 H   -2.091100       1.069000       2.113200    
 H   -3.785900      0.6329000       1.926900    
 H   -2.582900     -0.6355000       1.975900    
 H    1.276300       1.300200      3.0300001E-02
 H    1.646200      0.2942000       1.458900    
 H    1.336100      -2.036400       1.217600    
 H   -5.160600     -6.5000001E-03 -0.7882000    
 H    3.479500       2.509500      6.3400000E-02


%chk=000100211-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100211

0 1
S 3.259524 0.589301 0.115033
O 1.637856 -2.239228 -0.243175
O -5.012579 -0.436276 0.200959
O 3.057650 2.311329 0.827393
O 3.430334 0.686917 -1.489117
O 4.354185 -0.205570 1.000323
N -1.297723 0.118262 -0.580784
C -2.635530 0.449748 0.003556
C -0.603000 -1.124518 -0.198319
C 0.934762 -0.961091 -0.379760
C -3.653664 -0.700963 -0.291975
C -3.102462 1.753313 -0.686439
C -2.522320 0.681958 1.526933
C 1.454694 0.107611 0.575412
H -0.887279 -2.023632 -0.789074
H -0.826132 -1.350424 0.861762
H -1.284150 0.267075 -1.598850
H 1.146870 -0.660293 -1.421767
H -3.347928 -1.619649 0.238188
H -3.656235 -0.907071 -1.386189
H -4.035873 2.132426 -0.233633
H -3.276965 1.597787 -1.770115
H -2.331450 2.534650 -0.572118
H -1.875710 1.551714 1.737729
H -3.526895 0.862335 1.946874
H -2.106108 -0.197232 2.052510
H 0.891285 1.047574 0.470969
H 1.543135 -0.209608 1.627640
H 1.575488 -2.564483 0.691822
H -5.429086 0.264902 -0.360275
H 3.956909 2.748734 0.828888


