%chk=000047596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047596

0 1
 S  -0.8692000     -0.8813000     -6.0999999E-03
 O    3.801400     -0.7837000       1.388700    
 O    1.404100      -3.350500      -1.710800    
 O   0.4399000      -4.403900      5.0099999E-02
 N    2.353400      -1.363300     -0.3313000    
 C    1.535400      -2.275100      0.4336000    
 C    4.114800      0.2055000     -0.7986000    
 C    4.101800       1.676400     -0.3868000    
 C   0.3811000      -1.556600       1.136700    
 C    3.431200     -0.6872000      0.2218000    
 C    2.697600       2.192600     -0.2077000    
 C   -2.246500     -0.7752000       1.157500    
 C    1.060300      -3.450400     -0.4045000    
 C   -3.492700     -0.2325000      0.5138000    
 C    2.018600       2.756500      -1.287900    
 C    2.076300       2.106300       1.038300    
 C   0.7187000       3.234200      -1.122300    
 C   0.7762000       2.584000       1.203900    
 C   -4.406600      -1.103000     -8.0300003E-02
 C   -3.735000       1.141200      0.5111000    
 C   9.7499996E-02   3.147900      0.1235000    
 C   -5.562600     -0.5998000     -0.6771000    
 C   -4.891000       1.644300     -8.5699998E-02
 C   -5.804800      0.7736000     -0.6798000    
 H    2.185500      -2.711200       1.203300    
 H    3.656300      9.2299998E-02  -1.788100    
 H    5.150400     -0.1418000     -0.8921000    
 H    4.627200       2.276300      -1.140200    
 H    4.660200       1.811600      0.5484000    
 H  -0.1168000      -2.270800       1.802200    
 H   0.7585000     -0.7349000       1.754200    
 H    2.100700      -1.203400      -1.302000    
 H   -1.958700     -0.1364000       2.000700    
 H   -2.453700      -1.769400       1.570200    
 H    2.491200       2.827000      -2.263900    
 H    2.593700       1.678400       1.892400    
 H   0.1895000       3.672100      -1.963700    
 H   0.2920000       2.516500       2.173700    
 H   -4.229300      -2.175200     -8.5900001E-02
 H   -3.031200       1.830100      0.9706000    
 H  -0.9151000       3.518700      0.2522000    
 H   -6.273900      -1.277600      -1.139900    
 H   -5.079600       2.713800     -8.8100001E-02
 H   -6.704800       1.165400      -1.144600    
 H    1.093700      -4.121500      -2.231800    


%chk=000047596-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047596

0 1
S -1.280162 -2.193039 0.542582
O 3.762455 -0.811229 0.519725
O 1.987986 -4.032898 -1.187882
O 1.316989 -5.025801 0.799222
N 1.698237 -1.523677 -0.272403
C 1.555415 -2.571672 0.728821
C 2.845865 0.308401 -1.465000
C 3.181089 1.735243 -0.938146
C 0.288671 -2.390468 1.601689
C 2.818850 -0.714717 -0.328064
C 2.078723 2.310929 -0.059408
C -1.665052 -0.336038 0.888748
C 1.591473 -3.994286 0.148869
C -2.813400 0.107398 0.015549
C 1.002050 3.040337 -0.629208
C 2.086951 2.102632 1.345505
C -0.041246 3.547585 0.179245
C 1.046918 2.611094 2.157300
C -4.148654 -0.245117 0.345452
C -2.578049 0.874820 -1.154140
C -0.021848 3.334216 1.577475
C -5.223771 0.159642 -0.475570
C -3.652363 1.282209 -1.976554
C -4.978612 0.924687 -1.640234
H 2.450159 -2.483573 1.382975
H 1.889370 0.317225 -2.021194
H 3.638857 -0.005584 -2.171138
H 3.357359 2.393019 -1.809621
H 4.127638 1.665390 -0.372947
H 0.143382 -3.270112 2.247036
H 0.387992 -1.482580 2.217979
H 0.943996 -1.432669 -0.957759
H -0.744814 0.236059 0.688668
H -1.913414 -0.272231 1.961115
H 0.989673 3.224451 -1.711558
H 2.914402 1.541810 1.796180
H -0.863305 4.111340 -0.276524
H 1.075425 2.451202 3.241387
H -4.340096 -0.843431 1.244315
H -1.551061 1.162274 -1.409915
H -0.826629 3.731631 2.205956
H -6.249308 -0.119645 -0.209264
H -3.456752 1.877616 -2.875577
H -5.812473 1.239771 -2.277523
H 2.016783 -4.982217 -1.488464


