%chk=000076508.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076508

0 1
 S    1.804600       1.826700      7.4900001E-02
 O   -1.281100      0.4020000      0.3163000    
 O   -1.638000      -1.664500     -0.6424000    
 N   0.5114000      -2.583100      0.8226000    
 C   0.4739000      -1.163300      0.4607000    
 C    1.511700     -0.8659000     -0.6320000    
 C    1.487400      0.5607000      -1.189200    
 C  -0.9357000     -0.8758000     -2.2500001E-02
 C   -2.582300      0.8224000     -0.1052000    
 C   -2.809100       2.249900      0.3446000    
 C    3.457200       1.291000      0.5722000    
 H   0.6732000     -0.5871000       1.370500    
 H    2.516100      -1.124500     -0.2762000    
 H    1.326400      -1.536700      -1.483500    
 H    2.242900      0.6610000      -1.976200    
 H   0.5231000      0.7780000      -1.659100    
 H  -0.1163000      -2.752200       1.608100    
 H    1.445800      -2.826600       1.149100    
 H   -2.648400      0.7636000      -1.197400    
 H   -3.339900      0.1687000      0.3412000    
 H   -3.797100       2.604500      3.8199998E-02
 H   -2.726900       2.328400       1.433600    
 H   -2.047800       2.912700     -7.9999998E-02
 H    4.094500       1.123100     -0.2999000    
 H    3.407100      0.3853000       1.181100    
 H    3.913000       2.077100       1.180900    


%chk=000076508-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076508

0 1
S 2.517912 1.552369 0.963725
O -1.438426 0.376221 0.120416
O -1.915941 -1.874615 0.449498
N 0.721535 -2.544574 0.667234
C 0.437409 -1.109704 0.534697
C 1.249537 -0.479150 -0.643869
C 1.486705 1.037619 -0.545940
C -1.076466 -0.945348 0.365517
C -2.906802 0.638596 -0.027530
C -3.063898 2.134183 -0.280284
C 4.212388 0.949259 0.405151
H 0.714810 -0.529535 1.447660
H 2.215523 -1.016284 -0.667533
H 0.747125 -0.715349 -1.602782
H 2.014095 1.413967 -1.440372
H 0.538075 1.585264 -0.433842
H -0.110576 -3.125964 0.801565
H 1.508431 -2.777521 1.273696
H -3.285744 0.022145 -0.862342
H -3.409070 0.308688 0.899557
H -4.135344 2.382658 -0.389516
H -2.655899 2.721867 0.559681
H -2.542890 2.437034 -1.204760
H 4.495032 1.437894 -0.541616
H 4.225931 -0.145745 0.287568
H 4.922248 1.241423 1.194821


