%chk=000040031.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040031

0 1
 S    3.862800       0.000000     -0.2744000    
 P    1.938700       0.000000     -8.0700003E-02
 O    1.281400       1.256800      0.7143000    
 O    1.281500      -1.256300      0.7151000    
 O    1.063500     -5.0000002E-04  -1.450800    
 C  -0.7562000      9.9999997E-05  0.1907000    
 C   -2.276500       0.000000      0.3439000    
 C  -0.1404000       1.252800      0.8555000    
 C  -0.1405000      -1.252700      0.8556000    
 C  -0.3578000     -9.9999997E-05  -1.303200    
 C   -2.878200       1.255300     -0.2830000    
 C   -2.878300      -1.255300     -0.2829000    
 H   -2.535400       0.000000       1.411000    
 H  -0.4830000       2.183600      0.3982000    
 H  -0.3725000       1.290100       1.925100    
 H  -0.3730000      -1.290200       1.925100    
 H  -0.4827000      -2.183500      0.3980000    
 H  -0.7146000     -0.8855000      -1.834300    
 H  -0.7142000      0.8855000      -1.834400    
 H   -2.706300       1.331000      -1.359700    
 H   -3.967800       1.234600     -0.1536000    
 H   -2.545100       2.177400      0.1989000    
 H   -2.706700      -1.330900      -1.359600    
 H   -3.967900      -1.234700     -0.1532000    
 H   -2.545000      -2.177500      0.1989000    


%chk=000040031-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040031

0 1
S 4.122523 -0.000027 -0.187217
P 2.103166 -0.000003 -0.043210
O 1.358663 1.341341 0.794565
O 1.358686 -1.340812 0.795434
O 1.191451 -0.000476 -1.536918
C -0.720311 0.000028 0.141048
C -2.288664 0.000095 0.313160
C -0.139649 1.268731 0.837713
C -0.139696 -1.268875 0.837388
C -0.301454 0.000220 -1.355465
C -2.980821 1.264133 -0.264449
C -2.980918 -1.264278 -0.263614
H -2.465678 0.000455 1.410880
H -0.492271 2.191309 0.347676
H -0.421585 1.285497 1.907091
H -0.422384 -1.286375 1.906551
H -0.491605 -2.191303 0.346549
H -0.666471 -0.901762 -1.876523
H -0.665692 0.902788 -1.876062
H -2.863721 1.330711 -1.361626
H -4.064029 1.213461 -0.055374
H -2.607801 2.203473 0.178380
H -2.863736 -1.331660 -1.360734
H -4.064138 -1.213326 -0.054669
H -2.608062 -2.203344 0.179925


