%chk=000126078.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126078

0 1
 S   0.4057000       1.404200      -1.118000    
 S   -1.824600     -0.5815000      -1.620200    
 S   -4.459600       1.254500       1.315700    
 O    4.234400       1.231800       1.605700    
 O    3.448000      -1.789600     -0.2503000    
 O   -5.274400      0.2139000       2.027000    
 O   0.7058000      -2.710200       1.362700    
 O  -0.4192000      -3.152000     -0.5787000    
 N    1.609800     -0.4245000      0.3337000    
 C    3.132000      0.7402000     -0.4714000    
 C    1.727100       1.022100      8.9800000E-02
 C    2.865500     -0.7391000     -0.1020000    
 C    4.354400       1.338600      0.1874000    
 C   0.4473000     -0.9834000     -0.1354000    
 C  -0.3255000     -0.1723000     -0.8779000    
 C   -2.912500      0.6222000     -0.8082000    
 C   -4.356700      0.4754000      -1.266700    
 C   -2.942400      0.4188000      0.6998000    
 C   -5.144900       1.417800     -0.3735000    
 C    4.546900       2.805900     -0.1788000    
 C   0.1830000      -2.392900      0.1595000    
 H    3.206900      0.8487000      -1.564000    
 H    1.677300       1.601500       1.017300    
 H    5.247500      0.7783000     -0.1128000    
 H   -2.574600       1.638100      -1.047500    
 H   -4.715400     -0.5532000      -1.128900    
 H   -4.488200      0.7391000      -2.321600    
 H   -3.024100     -0.6363000      0.9837000    
 H   -2.084200      0.8648000       1.210100    
 H   -5.001500       2.459200     -0.6789000    
 H   -6.214300       1.192200     -0.3638000    
 H    3.695300       3.406900      0.1591000    
 H    5.438200       3.213200      0.3098000    
 H    4.648400       2.933500      -1.260900    
 H    5.045700       1.598200       1.997200    
 H   0.5488000      -3.649900       1.596600    


%chk=000126078-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126078

0 1
S 0.125388 1.195272 -0.391151
S -2.075712 -1.091406 -0.551459
S -4.955196 2.113980 0.917057
O 4.436093 0.951248 1.462406
O 3.750822 -1.583796 -1.254185
O -5.985525 1.069883 1.721037
O 1.671965 -3.483275 0.698432
O -0.557090 -3.517644 -0.002094
N 1.914193 -0.759874 0.155750
C 3.148655 0.849102 -0.547845
C 1.866415 0.705920 0.332925
C 3.088693 -0.714767 -0.674111
C 4.394808 1.478388 0.084183
C 0.658579 -1.432262 0.060281
C -0.387665 -0.567383 -0.245906
C -3.033672 0.582801 -0.517006
C -4.420901 0.328803 -1.151169
C -3.231610 1.114397 0.902196
C -5.200357 1.635362 -0.973171
C 4.362683 3.018201 0.075852
C 0.503183 -2.873821 0.233812
H 2.940858 1.308454 -1.529507
H 1.914176 1.068337 1.367402
H 5.275281 1.116944 -0.489889
H -2.458882 1.288371 -1.142193
H -4.943805 -0.485750 -0.614284
H -4.334073 0.046350 -2.215354
H -3.445995 0.328140 1.643482
H -2.439874 1.797513 1.241455
H -4.789524 2.471211 -1.564770
H -6.290166 1.548411 -1.093707
H 3.491349 3.393483 0.641964
H 5.275354 3.432493 0.542503
H 4.306770 3.409182 -0.957058
H 5.311950 1.156391 1.873734
H 1.518733 -4.464459 0.755987


