%chk=000081090.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081090

1 1
 S   -3.684300      6.4999998E-02  0.3469000    
 O   -4.920300     -6.0400002E-02 -0.7102000    
 O   -3.707300       1.391700      0.9361000    
 O   -3.653100      -1.130200       1.170500    
 N    1.394200      0.4346000     -0.5067000    
 C   -1.024200      0.2497000     -0.1705000    
 C   0.1091000      0.1570000      -1.184000    
 C   -2.368900     -1.7999999E-02 -0.8262000    
 C    2.091100     -0.5661000      3.2400001E-02
 C    1.793100       1.707100     -0.4751000    
 C    3.296800     -0.2980000      0.6649000    
 C    2.990600       2.034100      0.1448000    
 C    3.747300       1.017500      0.7195000    
 C    1.593800      -1.932000     -3.9999999E-02
 C    2.342200      -3.051900     -0.1023000    
 H  -0.8687000     -0.4491000      0.6587000    
 H   -1.027800       1.248400      0.2839000    
 H  -2.2399999E-02  0.9104000      -1.971800    
 H   0.1484000     -0.8019000      -1.709300    
 H   -2.394800      -1.012700      -1.282300    
 H   -2.568900      0.7326000      -1.597900    
 H    1.159300       2.456500     -0.9340000    
 H    3.895700      -1.074500       1.130800    
 H    3.329800       3.063700      0.1825000    
 H    4.686200       1.251200       1.212600    
 H   0.5209000      -2.085300      4.8000002E-03
 H   -5.076400      0.7317000      -1.276500    
 H    1.860900      -4.024200     -0.1285000    
 H    3.425400      -3.029500     -0.1428000    


%chk=000081090-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081090

1 1
S -3.207475 -0.727354 -0.187775
O -2.728406 -1.047041 -1.964923
O -4.801840 -0.818891 -0.004032
O -2.210557 -1.604197 0.746684
N 1.269702 0.494686 -0.591684
C -1.067117 1.123723 0.106996
C -0.180203 0.489336 -0.993406
C -2.555543 1.107979 -0.235866
C 1.821260 -0.542858 0.166054
C 2.029966 1.575557 -0.996490
C 3.200562 -0.443676 0.499495
C 3.383266 1.678785 -0.679279
C 3.982628 0.643715 0.083375
C 0.975937 -1.665304 0.598475
C 1.471470 -2.876321 0.985435
H -0.907973 0.614617 1.074987
H -0.783038 2.184880 0.251130
H -0.263697 1.062705 -1.931889
H -0.489548 -0.541115 -1.224695
H -2.818475 1.433578 -1.253434
H -3.176115 1.611201 0.522695
H 1.511730 2.333630 -1.587643
H 3.639345 -1.229976 1.116665
H 3.951849 2.546407 -1.020286
H 5.040834 0.697565 0.354269
H -0.114382 -1.539205 0.615660
H -3.229015 -1.845317 -2.301698
H 0.785783 -3.664792 1.310805
H 2.536754 -3.134918 0.970678


