%chk=000101003.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101003

0 1
 S  -4.1600000E-02  0.8710000      5.4699998E-02
 O   -3.291400     -0.7852000      0.8279000    
 N    1.622900      -1.194000     -0.1618000    
 N    3.957100      0.3415000      8.3400004E-02
 C   -1.106000     -0.5851000     -0.1509000    
 C   -2.558100     -0.2034000     -0.1378000    
 C    1.583400      0.1432000      2.7000001E-03
 C    2.729900      0.8974000      0.1232000    
 C   -3.286200      0.6266000     -0.9211000    
 C    2.697700       2.377400      0.3057000    
 C   -4.601700      0.5640000     -0.4028000    
 C   -4.552600     -0.3079000      0.6599000    
 C    2.850000      -1.749800     -0.2019000    
 C    3.996500     -0.9957000     -8.1400000E-02
 H  -0.9054000      -1.299300      0.6555000    
 H  -0.8833000      -1.072600      -1.106400    
 H   -2.939400       1.209500      -1.762300    
 H    2.173400       2.645500       1.228500    
 H    3.713300       2.782100      0.3794000    
 H    2.214800       2.865300     -0.5469000    
 H   -5.476400       1.088400     -0.7595000    
 H   -5.288400     -0.6749000       1.360500    
 H    2.882500      -2.824100     -0.3342000    
 H    4.982300      -1.443000     -0.1135000    


%chk=000101003-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101003

0 1
S -0.013731 0.923084 0.056517
O -3.153794 -0.233591 1.051105
N 1.697861 -1.201264 -0.324541
N 4.026073 0.337645 0.191318
C -1.139660 -0.597850 -0.329966
C -2.567183 -0.218510 -0.238600
C 1.622782 0.120350 -0.020266
C 2.792766 0.915558 0.244220
C -3.525150 0.170297 -1.166236
C 2.703521 2.381473 0.582578
C -4.758166 0.404697 -0.445388
C -4.494475 0.151878 0.890295
C 2.944446 -1.760434 -0.370114
C 4.100508 -0.997013 -0.114874
H -0.855810 -1.374524 0.394808
H -0.868793 -0.934408 -1.340154
H -3.364743 0.277185 -2.237366
H 2.096313 2.544593 1.493380
H 3.716267 2.779898 0.746132
H 2.215983 2.951497 -0.231302
H -5.711927 0.717015 -0.865583
H -5.087115 0.183557 1.800129
H 2.996226 -2.826130 -0.614601
H 5.101103 -1.438103 -0.150592


