%chk=000084930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084930

1 1
 S   -3.393200      1.5100000E-02 -0.3498000    
 O   -4.639500     -0.2032000      0.6799000    
 O   -3.274400      -1.159900      -1.194100    
 O   -3.484700       1.349300     -0.9152000    
 N    1.692800      1.6000000E-03  0.5385000    
 C  -0.7305000      2.4999999E-03  0.1861000    
 C   0.3831000      3.4000000E-03   1.225400    
 C   -2.098300     -7.1000000E-03  0.8485000    
 C    2.249000       1.174800      0.2454000    
 C    2.247600      -1.173300      0.2492000    
 C    3.477800       1.203700     -0.3984000    
 C    3.476100      -1.205200     -0.3953000    
 C    4.094200     -1.6000000E-03 -0.7202000    
 H  -0.6359000      0.8824000     -0.4620000    
 H  -0.6250000     -0.8700000     -0.4702000    
 H   0.3336000     -0.8791000       1.874100    
 H   0.3342000      0.8874000       1.871800    
 H   -2.230600      0.8656000       1.495700    
 H   -2.220700     -0.9156000       1.447500    
 H    1.714700       2.076300      0.5191000    
 H    1.712300      -2.073300      0.5256000    
 H    3.948600       2.148700     -0.6475000    
 H    3.945600      -2.151400     -0.6420000    
 H    5.055800     -3.0000000E-03  -1.225000    
 H   -4.713500      -1.105200       1.071400    


%chk=000084930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084930

1 1
S -3.435472 -0.164929 -0.341709
O -4.686046 0.382882 0.899261
O -3.805364 -1.613616 -0.950228
O -3.016847 1.050021 -1.325743
N 1.769465 -0.038377 0.597970
C -0.712423 -0.238353 0.288737
C 0.447460 -0.170182 1.310131
C -2.063073 -0.329955 1.007372
C 2.202997 1.208542 0.207185
C 2.496413 -1.166291 0.292378
C 3.401555 1.354647 -0.504403
C 3.700917 -1.066192 -0.418349
C 4.164842 0.207005 -0.824876
H -0.707702 0.667196 -0.348357
H -0.577464 -1.112219 -0.376102
H 0.490293 -1.078564 1.934386
H 0.337794 0.699873 1.980344
H -2.274631 0.513171 1.683171
H -2.280676 -1.296016 1.487205
H 1.573472 2.057558 0.483107
H 2.090417 -2.121333 0.633029
H 3.726164 2.355244 -0.798754
H 4.261506 -1.975939 -0.644845
H 5.102654 0.303353 -1.379099
H -5.587151 0.435374 0.466687


