%chk=000039702.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039702

0 1
 S    1.094400       3.172400      0.8771000    
 O   -1.329800      -1.149600     -0.3613000    
 O   -1.300400       1.523600      0.6622000    
 O   -1.916200       2.305500      -1.427700    
 N   5.5900000E-02   3.092800     -0.4854000    
 C   -1.838100      -2.394900     -0.9215000    
 C   -3.251400      -2.657600     -0.3509000    
 C   -3.561500      -1.318300      0.1977000    
 C   -2.424300     -0.5289000      0.1806000    
 C   -1.864700      -2.241800      -2.447700    
 C  -0.8668000      -3.508400     -0.5268000    
 C   -4.749300     -0.8396000      0.7209000    
 C   -2.421000      0.7595000      0.6798000    
 C   -4.772500      0.4638000       1.223600    
 C   -3.614800       1.258400       1.203800    
 C   -1.109300       2.316100     -0.4981000    
 C    2.760100     -0.5387000      0.6653000    
 C    3.933900     -0.3035000     -8.9599997E-02
 C    2.199900       1.818300      0.5010000    
 C    1.901700      0.5351000      0.9525000    
 C    4.214600      0.9984000     -0.5352000    
 C    3.350600       2.053600     -0.2405000    
 C    2.479300      -1.840800       1.110500    
 C    4.792200      -1.377200     -0.3770000    
 C   0.3963000       3.962000      -1.602800    
 C    3.343500      -2.895700      0.8159000    
 C    4.497800      -2.664300      7.3600002E-02
 H   -3.239700      -3.394500      0.4595000    
 H   -3.964500      -2.974800      -1.117800    
 H   -2.207400      -3.159300      -2.936900    
 H   -2.524300      -1.420700      -2.750500    
 H  -0.8681000      -1.993800      -2.830300    
 H   -1.191200      -4.480400     -0.9119000    
 H   0.1398000      -3.300800     -0.9073000    
 H  -0.7753000      -3.577200      0.5632000    
 H   -5.640800      -1.456900      0.7474000    
 H   -5.692600      0.8657000       1.638900    
 H   -3.655900       2.268200       1.604400    
 H    1.003100      0.3566000       1.540300    
 H    5.111300       1.202200      -1.116900    
 H    3.597100       3.050000     -0.5983000    
 H    1.581600      -2.045300       1.690600    
 H    5.699900      -1.219700     -0.9559000    
 H  -0.3174000       3.845400      -2.423000    
 H   0.3747000       5.004200      -1.268900    
 H    1.394300       3.711800      -1.974300    
 H    3.114000      -3.898100       1.165300    
 H    5.169900      -3.486100     -0.1558000    


%chk=000039702-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039702

0 1
S 1.026230 3.281896 0.424964
O -1.498290 -1.072363 -0.460476
O -1.413355 1.722966 0.504679
O -1.961779 1.811242 -1.793869
N -0.019948 2.833827 -0.972734
C -2.101672 -2.365920 -1.042865
C -3.310801 -2.678390 -0.096955
C -3.612898 -1.331164 0.543597
C -2.522127 -0.471444 0.281278
C -2.557247 -2.014597 -2.469909
C -0.989832 -3.416266 -1.012705
C -4.697905 -0.882948 1.315608
C -2.516521 0.855572 0.746911
C -4.680978 0.445180 1.816986
C -3.598631 1.309211 1.529040
C -1.189366 2.099031 -0.849728
C 2.870642 -0.464674 0.340532
C 4.271784 -0.110869 0.462707
C 2.270568 1.908516 0.400533
C 1.879834 0.570677 0.323452
C 4.628707 1.275404 0.549385
C 3.651688 2.272059 0.509164
C 2.505867 -1.850488 0.260173
C 5.253063 -1.156205 0.492500
C 0.426774 3.273075 -2.309751
C 3.484402 -2.845995 0.296059
C 4.869187 -2.496851 0.411265
H -3.029101 -3.427560 0.668555
H -4.164174 -3.083448 -0.668723
H -2.986250 -2.904552 -2.967010
H -3.319121 -1.216133 -2.450528
H -1.702617 -1.652660 -3.065871
H -1.363163 -4.374117 -1.418402
H -0.132021 -3.093286 -1.628255
H -0.641263 -3.589224 0.020706
H -5.544631 -1.544250 1.529415
H -5.516105 0.812861 2.421633
H -3.582678 2.340647 1.894586
H 0.821738 0.296520 0.251643
H 5.686855 1.549923 0.633814
H 3.931531 3.330173 0.549984
H 1.444525 -2.107453 0.173964
H 6.312510 -0.887841 0.583118
H -0.326292 2.953572 -3.046791
H 0.527355 4.371664 -2.337558
H 1.400530 2.812309 -2.555658
H 3.197980 -3.901965 0.236318
H 5.625595 -3.288965 0.437024


