%chk=000052913.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052913

0 1
 S   -1.709500      0.5983000      0.9026000    
 O   0.7366000      -2.655000     -0.7680000    
 O  -0.7422000      -2.184200      0.8926000    
 N    2.687100      0.8665000     -0.3621000    
 C   6.3999998E-03  0.6696000      0.4053000    
 C   0.7279000     -0.4762000      8.9299999E-02
 C   -2.493200      0.7425000     -0.7171000    
 C   0.6236000       1.913800      0.3381000    
 C   -4.003700      0.7087000     -0.5831000    
 C    2.053400     -0.3252000     -0.2851000    
 C    1.953800       1.957800     -4.7499999E-02
 C   0.1600000      -1.816800      0.1351000    
 H   -2.188500       1.682300      -1.189100    
 H   -2.164200     -8.1500001E-02  -1.358700    
 H   9.8399997E-02   2.833300      0.5757000    
 H   -4.347500     -0.2322000     -0.1400000    
 H   -4.372200       1.538200      2.9999999E-02
 H   -4.467500      0.7971000      -1.571300    
 H    2.688100      -1.170400     -0.5336000    
 H    2.481300       2.903500     -0.1158000    
 H   0.3481000      -3.555000     -0.7308000    


%chk=000052913-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052913

0 1
S -1.723375 1.041693 0.826605
O 0.859165 -2.513799 -1.041868
O -0.958375 -2.046538 0.311974
N 2.838322 0.950501 -0.268149
C 0.034518 0.855819 0.380041
C 0.705745 -0.294006 -0.144595
C -2.723580 0.113924 -0.506239
C 0.819848 2.019018 0.610026
C -4.083494 0.811239 -0.645203
C 2.094536 -0.167112 -0.465488
C 2.188682 2.022822 0.287804
C 0.088343 -1.640661 -0.250045
H -2.139837 0.161619 -1.441165
H -2.808708 -0.932286 -0.181574
H 0.347720 2.923527 1.004993
H -4.634994 0.818315 0.312206
H -3.976539 1.853634 -0.991471
H -4.700942 0.262347 -1.380655
H 2.616881 -1.031042 -0.885137
H 2.796148 2.919914 0.450175
H 0.436136 -3.413829 -1.015736


