%chk=000048450.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048450

0 1
 S   -2.285900     -0.1508000     -0.6035000    
 O   1.9400001E-02  -2.103300      0.5935000    
 O  -0.4677000       2.449100     -0.1103000    
 O    3.466500      0.4075000      -1.249300    
 N    1.851900     -0.8844000     -0.1650000    
 N    1.517600       1.413900     -0.6088000    
 C  -3.5399999E-02  0.2901000      0.9009000    
 C   -1.559200      0.1333000       1.025900    
 C   0.5825000      -1.021200      0.4194000    
 C   0.5541000      0.5916000       2.290700    
 C   0.2783000       1.478100      6.3999998E-03
 C    2.368100      0.3140000     -0.6950000    
 C    2.632000      -2.097100     -0.3816000    
 C   -4.020100     -0.2855000     -0.1075000    
 C   -4.902200     -0.5351000      -1.316000    
 H   -2.008700       1.036700       1.454400    
 H   -1.816300     -0.7064000       1.681800    
 H   0.3455000     -0.2226000       2.994400    
 H    1.642600      0.7169000       2.252800    
 H   0.1363000       1.515300       2.707700    
 H    1.818100       2.249700      -1.102600    
 H    3.700700      -1.885000     -0.2835000    
 H    2.435100      -2.451800      -1.398100    
 H    2.352300      -2.877600      0.3315000    
 H   -4.130100      -1.110600      0.6032000    
 H   -4.328200      0.6414000      0.3862000    
 H   -4.834800      0.2846000      -2.039500    
 H   -4.636300      -1.469300      -1.822300    
 H   -5.948700     -0.6149000      -1.003600    


%chk=000048450-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048450

0 1
S -2.353183 0.857210 -0.429891
O -0.414424 -1.704422 1.155511
O 0.471567 3.045882 0.714473
O 2.648926 -0.054218 -1.955969
N 1.158205 -0.902196 -0.360487
N 1.544456 1.450372 -0.569724
C -0.015578 0.697098 1.229184
C -1.542909 0.973609 1.282848
C 0.204370 -0.720065 0.665555
C 0.564810 0.724968 2.683672
C 0.659854 1.831623 0.445609
C 1.834468 0.149014 -1.020511
C 1.438678 -2.271939 -0.857527
C -3.338872 -0.763523 -0.226279
C -3.946421 -1.147431 -1.582142
H -1.716263 1.992215 1.662905
H -2.028466 0.232140 1.936500
H 0.079027 -0.061842 3.284646
H 1.655479 0.548420 2.687960
H 0.369615 1.712477 3.134322
H 2.020620 2.201283 -1.080924
H 2.524432 -2.454143 -0.847093
H 1.073974 -2.382895 -1.891856
H 0.916724 -2.976789 -0.195493
H -2.643117 -1.532445 0.147353
H -4.122558 -0.579194 0.528319
H -4.613311 -0.354783 -1.966111
H -3.159765 -1.331225 -2.335323
H -4.542939 -2.072602 -1.477327


