%chk=000048757.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048757

0 1
 S   -1.381300     -0.2890000       1.222000    
 O   6.7299999E-02  -1.783200      -1.273500    
 O    1.126600       1.946100       1.376100    
 O    4.202800      -1.385600      0.6748000    
 N    2.165700      -1.534200     -0.3804000    
 N    2.694500      0.3284000      0.9437000    
 C   0.6765000      0.4144000     -0.4492000    
 C    1.122700       1.181400      -1.706800    
 C  -0.8187000      0.6658000     -0.2053000    
 C   0.9058000      -1.068200     -0.7254000    
 C    1.483800      0.9673000      0.7211000    
 C   -3.115900      0.2233000       1.224000    
 C   -3.918800     -0.1657000     -2.9100001E-02
 C   0.9628000       2.672900      -1.515900    
 C    3.104600     -0.8903000      0.4165000    
 C   -3.934700      -1.675600     -0.2765000    
 C   -5.343600      0.3922000     -1.6000001E-02
 H   0.5390000      0.8594000      -2.578800    
 H    2.172300      0.9657000      -1.944800    
 H   -1.382000      0.3724000      -1.095100    
 H   -1.041700       1.713200      1.2600000E-02
 H   -3.151200       1.308900       1.370200    
 H   -3.585600     -0.2235000       2.107700    
 H   -3.452100      0.2977000     -0.9053000    
 H  -6.2799998E-02   2.983700      -1.307000    
 H    1.629700       3.084700     -0.7541000    
 H    1.241400       3.173800      -2.451400    
 H    2.396900      -2.478800     -0.6753000    
 H    3.315500      0.7568000       1.624500    
 H   -4.349100      -2.210100      0.5850000    
 H   -4.551500      -1.918400      -1.148800    
 H   -2.933200      -2.068600     -0.4749000    
 H   -5.920600     -2.7200000E-02  0.8149000    
 H   -5.867500      0.1554000     -0.9481000    
 H   -5.332200       1.481500      9.4999999E-02


%chk=000048757-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048757

0 1
S -1.384922 -1.445339 -0.188910
O 1.604857 -1.655708 -2.088113
O -0.056461 1.626797 1.061829
O 3.714889 -0.913348 1.986089
N 2.655155 -1.225079 -0.074572
N 1.877378 0.421239 1.432075
C 0.792764 0.290281 -0.825021
C 1.420486 1.409149 -1.765809
C -0.656258 -0.044263 -1.245974
C 1.679073 -0.952792 -1.049109
C 0.800522 0.816270 0.618652
C -2.643610 -0.463834 0.850566
C -3.952586 -0.125712 0.104155
C 0.630113 2.730476 -1.845288
C 2.816995 -0.592938 1.169814
C -4.754505 -1.393885 -0.262860
C -4.799011 0.840710 0.971720
H 1.501071 0.954251 -2.771362
H 2.454035 1.613088 -1.421382
H -0.670232 -0.384296 -2.292597
H -1.303880 0.835526 -1.119971
H -2.124050 0.444263 1.200490
H -2.842211 -1.118238 1.719551
H -3.684804 0.401479 -0.836051
H -0.357496 2.589636 -2.317716
H 0.469215 3.178530 -0.850296
H 1.193062 3.453539 -2.462727
H 3.291901 -2.006884 -0.260978
H 1.933033 0.842396 2.365417
H -5.085787 -1.922391 0.652225
H -5.655324 -1.135480 -0.849153
H -4.139403 -2.090840 -0.859693
H -5.082359 0.361497 1.928583
H -5.731364 1.119831 0.447300
H -4.244885 1.768673 1.205515


