%chk=000048205.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048205

0 1
 S  -0.9468000     -0.4465000       1.056000    
 O    1.116900       1.055000      -1.662600    
 N    1.039100       1.882900      0.4871000    
 C   0.6673000     -0.5247000      0.1553000    
 C    1.778200     -0.9358000       1.160000    
 C   0.5662000      -1.607000     -0.9543000    
 C   0.9620000      0.8653000     -0.4560000    
 C    3.196000      -1.000900      0.5953000    
 C   0.2023000      -3.013200     -0.4815000    
 C   -1.972500      1.2100000E-02 -0.3537000    
 C    1.309300       3.253200      0.1198000    
 C   -3.381000      0.1658000      1.8200001E-02
 C   -4.537000      0.2937000      0.3163000    
 H    1.549600      -1.898600       1.632100    
 H    1.807500     -0.2164000       1.989600    
 H    1.531600      -1.674800      -1.473200    
 H  -0.1154000      -1.308200      -1.757300    
 H    3.487000     -5.8300000E-02  0.1230000    
 H    3.907100      -1.200100       1.404100    
 H    3.302800      -1.806400     -0.1361000    
 H   0.9388000      -3.419900      0.2160000    
 H   0.1816000      -3.687300      -1.345500    
 H  -0.7873000      -3.061600     -2.0300001E-02
 H   0.8354000       1.681100       1.461000    
 H   -1.625200      0.9512000     -0.7931000    
 H   -1.943100     -0.7630000      -1.121400    
 H    1.630700       3.796700       1.011100    
 H   0.3906000       3.694600     -0.2748000    
 H    2.089800       3.289400     -0.6445000    
 H   -5.562300      0.4071000      0.5810000    


%chk=000048205-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048205

0 1
S -0.949941 -0.595924 1.056094
O 1.854389 0.961366 -1.432815
N 0.652393 1.876299 0.340225
C 0.753854 -0.609299 0.118062
C 1.768219 -1.002192 1.242462
C 0.720207 -1.609932 -1.064116
C 1.114957 0.813707 -0.407789
C 3.229573 -1.128861 0.755397
C 0.494947 -3.083049 -0.673364
C -2.117622 -0.066992 -0.372027
C 1.000080 3.267559 0.034431
C -3.381927 0.430823 0.162980
C -4.455855 0.846070 0.604944
H 1.440845 -1.961165 1.686720
H 1.712932 -0.243043 2.046844
H 1.673616 -1.493736 -1.611230
H -0.059313 -1.288074 -1.781594
H 3.579217 -0.201002 0.271243
H 3.890872 -1.344177 1.614202
H 3.346105 -1.950384 0.026612
H 1.338650 -3.486180 -0.084427
H 0.399846 -3.705433 -1.581649
H -0.425762 -3.204114 -0.073666
H 0.012035 1.655160 1.112474
H -1.591789 0.717740 -0.944242
H -2.280031 -0.943886 -1.020126
H 1.561678 3.730907 0.866923
H 0.095506 3.871719 -0.163151
H 1.634307 3.264973 -0.866801
H -5.392791 1.206521 0.988988


