%chk=000016652.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016652

0 1
 S    1.442100      -4.203300      7.9999998E-02
 O    3.077100      -4.219000      8.0200002E-02
 O    1.012700      -4.714300       1.373700    
 O   0.9849000      -4.826600      -1.152300    
 C  -9.4999999E-02   1.647100     -0.2262000    
 C   -1.467200       1.921200      0.4359000    
 C   0.9824000       2.562000      0.4048000    
 C   -2.626000       1.203600     -0.2682000    
 C    2.327400       2.499400     -0.3308000    
 C   0.2905000      0.1776000     -0.1489000    
 C   -3.997200       1.533000      0.3312000    
 C    3.374800       3.462500      0.2381000    
 C   -5.194200      0.8314000     -0.3185000    
 C   0.4680000     -0.5592000      -1.320000    
 C   0.4677000     -0.4329000       1.092700    
 C    4.744300       3.431500     -0.4448000    
 C   -6.529500       1.155400      0.3523000    
 C   0.8226000      -1.906300      -1.249400    
 C   0.8222000      -1.780000       1.163300    
 C   0.9997000      -2.516800     -7.7999998E-03
 C    5.762300       4.367500      0.1876000    
 C   -7.669700      0.3661000     -0.2728000    
 H  -0.1834000       1.933800      -1.283500    
 H   -1.453600       1.639500       1.495800    
 H   -1.664900       3.000700      0.4060000    
 H   0.6254000       3.599700      0.3766000    
 H    1.133500       2.316700       1.463200    
 H   -2.629700       1.475200      -1.330800    
 H   -2.479700      0.1185000     -0.2177000    
 H    2.172400       2.731100      -1.391700    
 H    2.732600       1.482100     -0.2830000    
 H   -4.155000       2.617600      0.2759000    
 H   -3.979800       1.277700       1.398600    
 H    3.510600       3.238700       1.304000    
 H    2.979400       4.484800      0.1854000    
 H   -5.026300     -0.2523000     -0.2844000    
 H   -5.241000       1.110200      -1.378400    
 H   0.3354000     -9.6900001E-02  -2.294400    
 H   0.3363000      0.1220000       2.017200    
 H    5.138700       2.408800     -0.4149000    
 H    4.625700       3.695000      -1.502400    
 H   -6.475000      0.9199000       1.421400    
 H   -6.737100       2.228100      0.2658000    
 H   0.9628000      -2.457500      -2.175000    
 H   0.9615000      -2.232800       2.140900    
 H    5.417100       5.405300      0.1445000    
 H    5.934300       4.105900       1.236400    
 H    6.718300       4.303400     -0.3413000    
 H   -7.768600      0.5975000      -1.338200    
 H   -8.615800      0.6144000      0.2183000    
 H   -7.505300     -0.7111000     -0.1685000    
 H    3.488800      -5.113500      0.1303000    


%chk=000016652-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016652

0 1
S 1.406559 -4.313436 0.099886
O 3.252843 -4.078136 0.123395
O 0.954828 -4.917651 1.532203
O 1.008445 -5.072699 -1.273285
C -0.100350 1.682900 -0.259659
C -1.486083 1.957013 0.398326
C 0.996622 2.597925 0.362621
C -2.668328 1.234859 -0.284832
C 2.367297 2.522452 -0.345703
C 0.282425 0.205427 -0.173901
C -4.026108 1.533578 0.390264
C 3.412132 3.481749 0.267666
C -5.215735 0.823776 -0.294479
C 0.475262 -0.566694 -1.348710
C 0.446122 -0.426820 1.089310
C 4.786714 3.416586 -0.436259
C -6.572134 1.102474 0.392818
C 0.827526 -1.932721 -1.283184
C 0.796659 -1.788373 1.188035
C 0.975327 -2.500729 -0.009327
C 5.825112 4.378336 0.180569
C -7.755481 0.392669 -0.299997
H -0.183892 1.948377 -1.334798
H -1.449262 1.669732 1.469759
H -1.666879 3.051282 0.378269
H 0.628673 3.644056 0.331925
H 1.122051 2.345660 1.436151
H -2.715318 1.537579 -1.352253
H -2.492865 0.140343 -0.278133
H 2.237173 2.763624 -1.422045
H 2.755453 1.484885 -0.303212
H -4.204775 2.629553 0.393176
H -3.980020 1.223354 1.455375
H 3.542605 3.242758 1.344120
H 3.028517 4.523053 0.225142
H -5.031696 -0.270869 -0.307428
H -5.272339 1.141423 -1.356822
H 0.349659 -0.094230 -2.329375
H 0.299811 0.149015 2.009712
H 5.169841 2.376845 -0.389953
H 4.656389 3.651559 -1.512557
H -6.515375 0.780150 1.452676
H -6.754097 2.196686 0.410158
H 0.966920 -2.537701 -2.184473
H 0.912692 -2.286256 2.155784
H 5.481305 5.428179 0.116430
H 5.994623 4.146342 1.249087
H 6.799077 4.309778 -0.337890
H -7.853554 0.720814 -1.352158
H -8.712390 0.606045 0.210989
H -7.611792 -0.704384 -0.303958
H 3.667310 -4.987738 0.186746


