%chk=000171548.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171548

0 1
 S   -2.461300       1.956200       1.026400    
 O   -3.028200      -2.774500      0.7862000    
 O    5.960100     -0.7286000     -0.8625000    
 O    5.234500     -0.1562000       1.211800    
 N   -1.638900      -1.077600     -3.7900001E-02
 N   -3.865300     -0.8760000     -0.3016000    
 C   -1.796300      0.1561000     -0.7847000    
 C   -3.327200      0.3325000     -0.8946000    
 C   -1.175900       1.386100     -0.1164000    
 C   -3.788100       1.577500     -0.1402000    
 C   0.1515000       1.155000      0.5864000    
 C    1.253600      0.6369000     -0.3410000    
 C   -2.864100      -1.702600      0.2196000    
 C    2.626500      0.4376000      0.3075000    
 C    3.701800     -2.3399999E-02 -0.6757000    
 C    5.017300     -0.2989000      1.6700000E-02
 H   -1.349000     -1.6200000E-02  -1.770400    
 H   -3.667100      0.3619000      -1.935300    
 H   -1.054200       2.175100     -0.8686000    
 H   -3.879500       2.424900     -0.8272000    
 H   -4.742800       1.444100      0.3770000    
 H   0.4936000       2.100200       1.028600    
 H   3.7099998E-02  0.4536000       1.423000    
 H  -0.7448000      -1.496100      0.1981000    
 H   -4.853800      -1.105400     -0.2752000    
 H   0.9495000     -0.3160000     -0.7878000    
 H    1.364300       1.343000      -1.174300    
 H    2.944100       1.377200      0.7770000    
 H    2.530800     -0.2954000       1.118700    
 H    3.866200      0.7490000      -1.434700    
 H    3.379200     -0.9469000      -1.168800    
 H    6.817600     -0.9066000     -0.4205000    


%chk=000171548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171548

0 1
S -2.466601 1.966145 1.132374
O -3.169935 -2.809411 0.875415
O 6.068752 -0.646711 -0.880147
O 5.372519 0.012324 1.234908
N -1.743136 -1.151450 -0.069430
N -3.947378 -0.861499 -0.254941
C -1.837969 0.106445 -0.812756
C -3.409571 0.337587 -0.903021
C -1.172204 1.330384 -0.112459
C -3.780722 1.664985 -0.185001
C 0.170800 1.051421 0.581613
C 1.290797 0.618132 -0.397054
C -2.976360 -1.727541 0.261061
C 2.643043 0.418428 0.322085
C 3.754202 -0.029833 -0.645742
C 5.099403 -0.200396 0.034154
H -1.399840 0.000756 -1.826025
H -3.738401 0.395601 -1.959700
H -1.048671 2.131897 -0.868359
H -3.775333 2.509524 -0.896811
H -4.764080 1.604974 0.307678
H 0.495630 1.969877 1.108586
H 0.021857 0.279551 1.361300
H -0.873307 -1.627311 0.150931
H -4.937617 -1.051258 -0.127359
H 1.008124 -0.322646 -0.914637
H 1.403602 1.385877 -1.190902
H 2.946029 1.359513 0.818854
H 2.534140 -0.330164 1.130014
H 3.884342 0.699201 -1.470083
H 3.498771 -0.989806 -1.135900
H 6.940314 -0.748095 -0.409047


