%chk=000091587.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091587

0 1
 S   -1.063200      -1.823800      2.5200000E-02
 O    1.807700      0.5439000     -0.1535000    
 O   -1.367700      -2.401400       1.318400    
 O   -1.494700      -2.436000      -1.214800    
 N   0.5345000      -1.391600     -6.0699999E-02
 C   -1.665400     -0.1861000      3.1599998E-02
 C  -0.5924000      0.6901000     -3.5000000E-02
 C   0.6305000     -9.7099997E-02 -8.4600002E-02
 C   -2.974900      0.2298000      9.0999998E-02
 C  -0.7892000       2.055100     -4.5000002E-02
 C   -3.191700       1.609100      8.1500001E-02
 C   -2.110400       2.512800      1.4200000E-02
 C    2.936100     -0.3202000     -0.1971000    
 C    4.170300      0.5087000     -0.3296000    
 C    5.170500      0.5066000      0.5585000    
 H   -3.800800     -0.4687000      0.1425000    
 H   3.7500001E-02   2.754000     -9.6600004E-02
 H   -4.206900       1.995000      0.1265000    
 H   -2.309100       3.581600      8.3999997E-03
 H    2.975100     -0.9301000      0.7141000    
 H    2.873900     -0.9797000      -1.071600    
 H    4.253300       1.145500      -1.206500    
 H    6.043400       1.131400      0.4035000    
 H    5.138600     -0.1115000       1.448800    


%chk=000091587-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091587

0 1
S -1.312807 -2.046343 -0.020770
O 1.793388 0.478850 -0.075016
O -1.686483 -2.769446 1.378452
O -1.744347 -2.743067 -1.416889
N 0.610620 -1.570612 -0.055801
C -1.800493 -0.199876 0.007370
C -0.624204 0.566202 -0.012169
C 0.625943 -0.245735 -0.049812
C -3.087113 0.338515 0.043592
C -0.724194 1.973761 0.007156
C -3.179997 1.755688 0.061800
C -2.012359 2.558211 0.043964
C 3.067314 -0.334251 -0.119053
C 4.194331 0.632179 -0.333400
C 5.268076 0.724922 0.489098
H -3.980840 -0.291666 0.058052
H 0.183479 2.583796 -0.004890
H -4.166475 2.229733 0.090832
H -2.108387 3.648631 0.059715
H 3.151845 -0.892845 0.829338
H 2.960047 -1.059521 -0.948123
H 4.127512 1.256458 -1.234498
H 6.095073 1.410054 0.274342
H 5.355069 0.113761 1.395910


