%chk=000018682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018682

0 1
 S   1.5300000E-02  -1.717300      -1.300600    
 S  -6.4099997E-02   1.754800      -1.861900    
 P  -3.1599998E-02  0.2798000     -0.5684000    
 O   -1.266700      0.3651000      0.5000000    
 O    1.199700      0.4260000      0.4977000    
 C   -2.609400      0.2832000      5.1600002E-02
 C    2.544100      0.4104000      4.6900000E-02
 C   -3.535000      0.3897000       1.244700    
 C    3.465400      0.5625000       1.238400    
 C   0.2824000      -2.754200      0.1516000    
 H   -2.818500       1.097300     -0.6478000    
 H   -2.767400     -0.6706000     -0.4599000    
 H    2.749000     -0.5333000     -0.4665000    
 H    2.711900       1.234600     -0.6518000    
 H   -4.581800      0.3292000      0.9341000    
 H   -3.332300     -0.4122000       1.962300    
 H   -3.376800       1.336200       1.772200    
 H    4.513400      0.5548000      0.9259000    
 H    3.260900       1.499400       1.767000    
 H    3.304600     -0.2493000       1.955500    
 H    1.242100      -2.513000      0.6147000    
 H   0.2850000      -3.806600     -0.1424000    
 H  -0.5170000      -2.590000      0.8784000    


%chk=000018682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018682

0 1
S 0.097760 -1.978879 -1.424368
S -0.045676 1.596689 -2.173483
P 0.013150 0.187123 -0.666785
O -1.250108 0.168953 0.523377
O 1.281697 0.267050 0.516559
C -2.650102 0.353729 0.036141
C 2.660757 0.549333 0.017680
C -3.526640 0.350267 1.284873
C 3.542767 0.627565 1.259916
C 0.119354 -2.848067 0.260062
H -2.716006 1.311267 -0.514170
H -2.907694 -0.475905 -0.651365
H 2.974013 -0.268541 -0.660744
H 2.650226 1.501488 -0.545664
H -4.584874 0.490990 0.996731
H -3.436312 -0.605752 1.827883
H -3.236536 1.168500 1.964924
H 4.586260 0.840624 0.962620
H 3.198215 1.431878 1.931176
H 3.525734 -0.324835 1.816502
H 0.977976 -2.496360 0.849187
H 0.218391 -3.922037 0.035334
H -0.819152 -2.648581 0.795315


