%chk=000068340.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068340

0 1
 S   -1.947300      0.2115000     -0.1842000    
 O   -3.416400     -2.1199999E-02  0.4851000    
 O   -1.979900     -0.2580000      -1.557200    
 O   -1.488600       1.547200      0.1510000    
 N    1.083800      0.1346000      0.3938000    
 N    3.062900       1.287600      4.5400001E-02
 N    3.056700     -0.9340000     -0.4639000    
 C   -1.060300     -0.9568000      0.7986000    
 C   0.3675000      -1.141200      0.3224000    
 C    2.321500      0.1302000      8.9999996E-03
 H   -1.085700     -0.5987000       1.833000    
 H   -1.594300      -1.910600      0.7401000    
 H   0.8548000      -1.886700      0.9619000    
 H   0.3625000      -1.516000     -0.7083000    
 H   -3.853900     -0.8762000      0.2618000    
 H    2.658100       2.158600      0.3710000    
 H    4.032300       1.306100     -0.2517000    
 H    4.026500     -0.8183000     -0.7381000    
 H    2.664900      -1.864500     -0.5550000    


%chk=000068340-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068340

0 1
S -1.700600 0.177537 -0.191842
O -3.403020 -0.587042 0.024070
O -1.149220 -0.197392 -1.667109
O -1.801442 1.728368 0.250224
N 1.275608 -0.098936 0.789212
N 2.915703 1.329213 -0.062353
N 2.955981 -0.900864 -0.781558
C -0.936897 -1.014147 1.141843
C 0.488890 -1.332757 0.708682
C 2.329828 0.067547 0.014930
H -0.984361 -0.410796 2.060186
H -1.635166 -1.864770 1.143356
H 0.855118 -2.108192 1.421920
H 0.461458 -1.801856 -0.303935
H -4.057126 -0.013265 -0.467772
H 2.421087 2.079187 0.416112
H 3.911477 1.431450 -0.243319
H 3.459801 -0.619666 -1.620577
H 2.657982 -1.870017 -0.717368


