%chk=000060582.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060582

0 1
 S    4.874000      0.2209000      8.0600001E-02
 O    5.115400       1.529000      0.6733000    
 O    5.531400     -0.9556000      0.6325000    
 O   -1.880200       1.419300      1.9700000E-02
 O   -6.835800      0.8989000     -3.8500000E-02
 O   -6.043600      -1.231300     -1.5500000E-02
 N  -0.9766000     -0.7505000      8.2000000E-03
 N    5.211400      0.3032000      -1.592400    
 C   0.4191000     -0.5186000      2.5200000E-02
 C    3.151800     -6.4800002E-02  5.9099998E-02
 C   -3.366800     -0.4510000     -9.4999997E-03
 C    2.661800      -1.370600      3.1800002E-02
 C    2.265700       1.012500      6.9399998E-02
 C    1.285900      -1.599000      1.4600000E-02
 C   0.8898000      0.7840000      5.2400000E-02
 C   -1.992400      0.1967000      1.4200000E-02
 C   -4.469000      0.6009000     -2.6000000E-03
 C   -5.842000     -2.3900000E-02 -2.2500001E-02
 H   -3.442000      -1.077500     -0.9064000    
 H   -3.457900      -1.106100      0.8653000    
 H    3.333400      -2.224300      1.6799999E-02
 H    2.626500       2.037300      8.4299996E-02
 H   0.9147000      -2.619900     -8.2000000E-03
 H   0.2692000       1.667800      6.1799999E-02
 H   -1.252700      -1.730100     -8.1000002E-03
 H   -4.392800       1.221800      0.8975000    
 H   -4.378200       1.246700     -0.8836000    
 H    5.449400       1.221700      -1.986100    
 H    5.731600     -0.4766000      -2.012700    
 H   -7.723400      0.4810000     -4.6500001E-02


%chk=000060582-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060582

0 1
S 4.984929 0.247173 0.041613
O 5.255033 1.794527 0.473514
O 5.657723 -1.032012 0.795204
O -1.954258 1.435827 -0.249967
O -6.962593 0.716452 0.476036
O -6.175066 -0.844434 -1.051246
N -1.019573 -0.699195 0.036112
N 5.473646 0.088421 -1.729828
C 0.372786 -0.420020 0.021386
C 3.130036 -0.021153 0.015075
C -3.464239 -0.499970 -0.117224
C 2.650226 -1.332695 0.162320
C 2.289464 1.094188 -0.117780
C 1.257751 -1.525958 0.166012
C 0.893731 0.897104 -0.115219
C -2.092842 0.186512 -0.106997
C -4.577945 0.470700 0.308731
C -5.939247 0.017922 -0.174955
H -3.675512 -0.849171 -1.147930
H -3.463907 -1.403435 0.521930
H 3.345228 -2.167435 0.294343
H 2.713452 2.100292 -0.196438
H 0.855977 -2.539841 0.283047
H 0.206204 1.738240 -0.213407
H -1.268794 -1.685021 0.151090
H -4.610483 0.617827 1.402034
H -4.365607 1.469404 -0.122406
H 5.810971 1.010250 -2.054184
H 6.193981 -0.651095 -1.787945
H -7.843372 0.428496 0.111178


