%chk=000047658.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047658

0 1
 S   -3.112000      -1.220100     -0.2067000    
 O   -4.223100     -0.8180000      0.9156000    
 O   -1.928100       1.524900     -0.8028000    
 O   -2.879000      -2.647900     -0.1497000    
 O   -3.428100     -0.5420000      -1.446500    
 O   -2.122100       1.816700       1.476300    
 C   0.8064000     -0.1559000      0.4719000    
 C  -0.4352000     -0.7892000     -0.1648000    
 C    2.114900     -0.5697000     -0.2091000    
 C   -1.731300     -0.3934000      0.5465000    
 C    3.358100      4.1700002E-02  0.4407000    
 C    4.627800     -0.3453000     -0.3211000    
 C    5.874900      0.2372000      0.3439000    
 C   -1.958900       1.102700      0.4954000    
 C    7.141100     -0.1731000     -0.3909000    
 C   -2.105300       2.931400     -0.9985000    
 H   0.8502000     -0.4376000       1.531300    
 H   0.7278000      0.9371000      0.4372000    
 H  -0.4734000     -0.5191000      -1.227800    
 H  -0.3217000      -1.880200     -0.1350000    
 H    2.199800      -1.663400     -0.1914000    
 H    2.073900     -0.2725000      -1.264500    
 H   -1.690700     -0.7161000       1.592800    
 H    3.262000       1.134000      0.4618000    
 H    3.429800     -0.2975000       1.481100    
 H    4.711200      -1.438300     -0.3620000    
 H    4.561100      1.2600000E-02  -1.355700    
 H    5.937200     -0.1049000       1.383500    
 H    5.808300       1.331200      0.3656000    
 H    8.020200      0.2552000      0.1006000    
 H    7.125200      0.1801000      -1.427000    
 H    7.254000      -1.261900     -0.4004000    
 H   -4.138800      -1.281200       1.782000    
 H   -1.302600       3.486200     -0.5036000    
 H   -3.083300       3.245600     -0.6217000    
 H   -2.061300       3.133100      -2.072000    


%chk=000047658-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047658

0 1
S -3.116808 -1.403990 -0.122590
O -4.439420 -0.211407 0.425290
O -2.034613 1.579635 -0.634831
O -3.278118 -2.793059 0.692480
O -3.047659 -1.455729 -1.734185
O -2.053345 1.820974 1.688578
C 0.915331 -0.156953 0.557021
C -0.352533 -0.785993 -0.078962
C 2.197195 -0.581141 -0.195469
C -1.615216 -0.369950 0.681720
C 3.480401 0.023835 0.416849
C 4.763039 -0.381205 -0.344294
C 6.050217 0.217470 0.267496
C -1.937570 1.113699 0.664779
C 7.325827 -0.184993 -0.503703
C -2.440007 2.999321 -0.784927
H 0.992135 -0.460109 1.620564
H 0.833867 0.948331 0.546252
H -0.441670 -0.471678 -1.134486
H -0.258145 -1.889088 -0.058291
H 2.276320 -1.687860 -0.194257
H 2.116145 -0.274182 -1.258563
H -1.664196 -0.746741 1.716125
H 3.396401 1.130656 0.428882
H 3.567619 -0.293301 1.476965
H 4.847482 -1.487989 -0.361111
H 4.678892 -0.060095 -1.403681
H 6.137188 -0.108161 1.324223
H 5.963014 1.323072 0.289303
H 8.231186 0.256173 -0.047876
H 7.276895 0.154928 -1.555521
H 7.453479 -1.284012 -0.512943
H -5.326588 -0.612532 0.197848
H -1.694602 3.659902 -0.311717
H -3.424071 3.153263 -0.312112
H -2.489071 3.161310 -1.869857


