%chk=000049937.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049937

0 1
 S    2.651900      0.1792000     -1.3400000E-02
 O    3.666000      -1.085600      0.1673000    
 O    2.706100      0.9957000       1.185700    
 O    2.853500      0.7530000      -1.331700    
 C   -1.371500     -0.6037000      2.0900000E-02
 C  -6.5200001E-02  0.1897000      2.4999999E-03
 C   -2.586800      0.3249000      5.0000002E-04
 C    1.142300     -0.7349000     -1.6100001E-02
 C   -3.892800     -0.4689000     -1.4700000E-02
 C   -5.103600      0.4505000     -8.9999998E-04
 H   -1.406000      -1.236500      0.9160000    
 H   -1.406700      -1.271200     -0.8488000    
 H  -2.3700001E-02  0.8446000      0.8812000    
 H  -4.1700002E-02  0.8440000     -0.8776000    
 H   -2.541900      0.9723000     -0.8838000    
 H   -2.562600      0.9786000      0.8808000    
 H    1.143800      -1.371000      0.8754000    
 H    1.140200      -1.371400     -0.9065000    
 H   -3.932300      -1.104000     -0.9072000    
 H   -3.936100      -1.131600      0.8574000    
 H   -5.107500       1.107000     -0.8769000    
 H   -6.026400     -0.1378000     -1.3100000E-02
 H   -5.111300       1.075800      0.8976000    
 H    3.661000      -1.509700       1.057600    


%chk=000049937-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049937

0 1
S 2.727831 0.153628 0.171955
O 3.760138 -1.398069 0.051201
O 2.988687 0.867713 1.601391
O 2.876973 1.023040 -1.184143
C -1.450712 -0.636593 0.073584
C -0.109132 0.142784 0.080058
C -2.668502 0.311195 -0.025615
C 1.067948 -0.825898 0.172908
C -4.018226 -0.442421 -0.025384
C -5.230998 0.507618 -0.127749
H -1.533130 -1.245302 0.997067
H -1.466655 -1.346071 -0.778724
H -0.094932 0.842699 0.937540
H -0.027331 0.746372 -0.843871
H -2.587891 0.918733 -0.950454
H -2.648294 1.026554 0.822067
H 1.124587 -1.392892 1.115368
H 1.178782 -1.488767 -0.699607
H -4.036551 -1.160391 -0.870428
H -4.098685 -1.047551 0.900567
H -5.194363 1.099393 -1.061687
H -6.183769 -0.052457 -0.120212
H -5.250125 1.218717 0.719347
H 4.723050 -1.133033 0.097023


