%chk=000050026.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050026

0 1
 S   -4.342500      -1.947800      0.3327000    
 O   -2.956800      -1.077400      0.3740000    
 O   -4.757600      -2.079100       1.904800    
 O   -5.352900      -1.136100     -0.3198000    
 O   -4.045000      -3.278800     -0.1629000    
 C    1.287500      0.1546000     -0.1029000    
 C   0.1068000     -0.5558000     -0.4096000    
 C    2.514200     -0.5612000     -7.7000000E-03
 C    1.241900       1.559000      0.1052000    
 C   -1.107100      0.1299000     -0.5074000    
 C  -1.5100000E-02   2.250100      1.1000000E-03
 C   -1.184600       1.512000     -0.3080000    
 C    2.547700      -1.961500     -0.2171000    
 C    3.712300      0.1200000      0.2974000    
 C   0.1572000      -1.941500     -0.6138000    
 C    2.466000       2.198100      0.4083000    
 C    1.361500      -2.636000     -0.5191000    
 C    3.671900       1.498700      0.5025000    
 C   -2.359400     -0.6427000     -0.8351000    
 C  -0.1759000       3.646700      0.1891000    
 C   -2.429300       2.156900     -0.4170000    
 C    3.765500      -2.650600     -0.1192000    
 C    4.917000     -0.5931000      0.3895000    
 C    4.942200      -1.969700      0.1822000    
 C   -1.418900       4.275600      7.8000002E-02
 C   -2.546600       3.529800     -0.2254000    
 H  -0.7114000      -2.557600     -0.8174000    
 H    2.513200       3.270400      0.5810000    
 H    1.360100      -3.712700     -0.6769000    
 H    4.578600       2.051800      0.7392000    
 H   -3.074400     -6.9899999E-02  -1.432500    
 H   -2.177600      -1.496700      -1.494000    
 H   0.6719000       4.283100      0.4293000    
 H   -3.364800       1.645400     -0.6135000    
 H    3.808300      -3.726200     -0.2773000    
 H    5.847900     -8.1100002E-02  0.6239000    
 H    5.880000      -2.512700      0.2557000    
 H   -1.499300       5.347800      0.2316000    
 H   -3.515900       4.012500     -0.3045000    
 H   -4.029300      -2.350200       2.511700    


%chk=000050026-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050026

0 1
S -4.192895 -2.469662 0.210508
O -3.125234 -0.896354 0.316919
O -3.868230 -2.829021 1.976715
O -5.776417 -2.278018 0.050011
O -3.414582 -3.507627 -0.753218
C 1.192757 0.181806 -0.097826
C -0.055984 -0.499511 -0.398112
C 2.408241 -0.582941 0.034598
C 1.221918 1.609143 0.055248
C -1.254174 0.253237 -0.559496
C -0.012429 2.370658 -0.046547
C -1.254691 1.682552 -0.336967
C 2.391010 -2.017404 -0.105194
C 3.658875 0.077341 0.309270
C -0.038562 -1.946589 -0.516945
C 2.489223 2.241155 0.324739
C 1.130245 -2.669212 -0.377198
C 3.660590 1.509248 0.445516
C -2.517550 -0.447970 -0.979513
C -0.045722 3.791190 0.138868
C -2.468785 2.449526 -0.382473
C 3.597619 -2.751768 0.031543
C 4.851372 -0.693019 0.437097
C 4.819343 -2.093193 0.299589
C -1.239323 4.512182 0.066642
C -2.466504 3.830650 -0.186122
H -0.970273 -2.489661 -0.699497
H 2.539213 3.326701 0.437998
H 1.113162 -3.761545 -0.466543
H 4.609633 2.018474 0.649200
H -3.227852 0.214470 -1.497422
H -2.322196 -1.329580 -1.614817
H 0.879059 4.334286 0.349586
H -3.424594 1.942436 -0.537558
H 3.572929 -3.842479 -0.073543
H 5.797208 -0.179872 0.645446
H 5.741425 -2.674783 0.401078
H -1.236006 5.597044 0.215747
H -3.407105 4.390563 -0.216441
H -3.067415 -2.268451 2.205211


