%chk=000121591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121591

0 1
 S   -4.058200     -1.8300001E-02  0.1690000    
 O    4.770800     -1.4800000E-02  0.4669000    
 O    2.328600      -2.441400     -0.1734000    
 O    2.329900       2.443800     -0.1738000    
 O   -4.983500      0.2000000      -1.156400    
 O   -4.173000       1.154600       1.016600    
 O   -4.293500      -1.354200      0.6863000    
 N    1.082000      7.4000000E-03  0.6370000    
 C    2.388700      7.9999998E-04 -4.0500000E-02
 C   6.8000001E-03  6.5000001E-03 -0.3376000    
 C    3.474700      2.2000000E-03   1.054300    
 C    2.483200      -1.251900     -0.9383000    
 C    2.480400       1.253000     -0.9380000    
 C   -1.347500      2.0000001E-03  0.3669000    
 C   -2.489400      1.0300000E-02 -0.6388000    
 H    1.001900     -0.8142000       1.236200    
 H   1.0500000E-02 -0.8783000     -0.9787000    
 H   7.4999998E-03  0.8971000     -0.9707000    
 H    3.402200      0.8984000       1.681400    
 H    3.388900     -0.8678000       1.714800    
 H    3.472000      -1.300400      -1.411700    
 H    1.776800      -1.270700      -1.772500    
 H    1.785700       1.272100      -1.782800    
 H    3.476800       1.303100      -1.393500    
 H   -1.426400      0.8768000       1.025000    
 H   -1.431700     -0.8830000       1.010700    
 H   -2.442500     -0.8609000      -1.299800    
 H   -2.451100      0.9203000      -1.246800    
 H    5.414400     -9.2000002E-03   1.195700    
 H    3.133400      -2.560700      0.3581000    
 H    1.462100       2.402500      0.2625000    
 H   -4.953000       1.103200      -1.551300    


%chk=000121591-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121591

0 1
S -4.191975 0.371403 0.234763
O 4.714965 -0.636302 0.692073
O 2.961012 -2.481325 -0.414926
O 2.136508 2.398138 0.040600
O -5.227908 -0.161030 -1.221701
O -4.495474 1.922745 0.577755
O -4.275925 -0.734547 1.412201
N 1.082705 -0.039436 0.443724
C 2.479188 -0.040989 -0.101549
C -0.041896 -0.076134 -0.522390
C 3.397927 -0.143285 1.145735
C 2.794918 -1.193349 -1.095397
C 2.700609 1.338027 -0.791269
C -1.367778 0.199801 0.229184
C -2.546237 0.172418 -0.743662
H 0.970048 -0.769943 1.160542
H -0.118991 -1.048133 -1.059485
H 0.124389 0.708551 -1.283401
H 3.480925 0.853988 1.617225
H 2.970272 -0.862332 1.874540
H 3.703137 -0.934496 -1.675400
H 1.959227 -1.337104 -1.800567
H 2.241712 1.346322 -1.804092
H 3.782926 1.526282 -0.901018
H -1.297931 1.180480 0.733746
H -1.514732 -0.570355 1.011520
H -2.686079 -0.792456 -1.256217
H -2.579315 1.012016 -1.455320
H 5.402514 -0.439043 1.373391
H 3.836201 -2.420650 0.056534
H 1.423425 1.929143 0.576007
H -6.190868 -0.050107 -0.976346


