%chk=000018122.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018122

0 1
 S   -3.614700      -1.615100      0.2637000    
 O   -4.876600      0.4486000     -0.8769000    
 O   -3.388900       1.721300      0.9855000    
 O   -4.664900      -2.380700     -0.7210000    
 O   -4.257100      -1.414900       1.546200    
 O   -2.320800      -2.256600      0.1489000    
 C    2.881200       1.593600     -0.5067000    
 C    1.409000       1.434100     -0.3277000    
 C   -1.344800       1.139500      8.0000004E-03
 C    3.677600      0.3433000     -0.1920000    
 C   0.6185000       1.005300      -1.393900    
 C   0.8228000       1.715700      0.9063000    
 C   -3.570700     -5.8200002E-02 -0.6252000    
 C   -2.780500      0.9870000      0.1824000    
 C  -0.7584000      0.8580000      -1.226000    
 C  -0.5541000       1.568300       1.074100    
 C    3.930100     -0.5665000      -1.202500    
 C    4.132700      0.1420000       1.098400    
 C    4.663000      -1.717400     -0.9125000    
 C    4.865700      -1.008800       1.388200    
 C    5.130900      -1.938500      0.3827000    
 H    3.246100       2.424600      0.1132000    
 H    3.100500       1.917100      -1.534000    
 H   -3.123200     -0.2720000      -1.595500    
 H    1.061400      0.7901000      -2.362700    
 H    1.426700       2.050500       1.745600    
 H   -1.335800      0.5530000      -2.091800    
 H  -0.9917000       1.788000       2.044500    
 H    3.570700     -0.4031000      -2.214100    
 H    3.932000      0.8601000       1.887900    
 H    4.869500      -2.441300      -1.695500    
 H    5.230000      -1.181100       2.396800    
 H    5.701500      -2.834600      0.6084000    
 H   -4.780300       1.219900      -1.461500    
 H   -4.316200      -2.615300      -1.613000    


%chk=000018122-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018122

0 1
S -3.948376 -1.501510 -1.188881
O -5.209246 0.704280 0.351965
O -3.176111 0.494907 1.945248
O -3.718648 -0.600634 -2.860636
O -5.412515 -2.194213 -1.155385
O -2.650691 -2.457132 -0.986374
C 2.728474 1.141092 -0.989364
C 1.278822 0.959557 -0.553152
C -1.444937 0.702298 0.247350
C 3.748287 0.313903 -0.208149
C 0.246384 0.830860 -1.518868
C 0.927225 0.945241 0.827164
C -4.001375 0.587608 -0.257499
C -2.829538 0.583426 0.714731
C -1.101059 0.701763 -1.135690
C -0.410974 0.820670 1.222851
C 3.592270 -1.091186 -0.079585
C 4.883560 0.928771 0.375577
C 4.551930 -1.861673 0.611875
C 5.847434 0.159771 1.068297
C 5.684521 -1.238858 1.188152
H 2.992759 2.213856 -0.892340
H 2.804874 0.905620 -2.069054
H -3.957171 1.042561 -1.250981
H 0.505687 0.819335 -2.583728
H 1.717304 1.023854 1.581644
H -1.863432 0.566913 -1.911744
H -0.690000 0.809960 2.281561
H 2.714820 -1.581054 -0.519246
H 5.016588 2.014436 0.286577
H 4.417766 -2.945476 0.701408
H 6.720253 0.651031 1.512821
H 6.429384 -1.836953 1.724627
H -5.066479 0.521752 1.340591
H -3.736590 -1.278876 -3.593464


