%chk=000004618.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004618

0 1
 S   -3.331200      4.6999999E-03  0.5525000    
 S   0.7462000      0.8012000     -0.8616000    
 P    2.484700      0.3430000      0.2264000    
 O    3.789100      0.6932000     -0.6789000    
 O    2.618900      -1.262300      0.4459000    
 O   -3.295900      -1.490900      0.5702000    
 O    2.487300       1.084400       1.538400    
 C   -1.948600      0.5582000     -0.4976000    
 C  -0.6231000      0.2757000      0.1882000    
 C   -4.630000      0.5116000     -0.5984000    
 C   -6.009600      0.2016000     -5.4800000E-02
 C    5.077200      0.4123000     -0.1580000    
 C    2.635100      -2.132700     -0.6723000    
 H   -2.020900      2.9400000E-02  -1.454300    
 H   -2.076500       1.631900     -0.6730000    
 H  -0.5589000      0.8067000       1.143900    
 H  -0.5100000     -0.7934000      0.3969000    
 H   -4.536100       1.588500     -0.7696000    
 H   -4.478800     -6.0000001E-03  -1.550900    
 H   -6.138100     -0.8728000      0.1144000    
 H   -6.185000      0.7139000      0.8972000    
 H   -6.778500      0.5273000     -0.7623000    
 H    5.211400     -0.6655000     -3.9099999E-02
 H    5.208900      0.9119000      0.8053000    
 H    5.826800      0.7879000     -0.8586000    
 H    3.265300      -1.735600      -1.471600    
 H    1.616200      -2.274800      -1.040700    
 H    3.033700      -3.099600     -0.3552000    


%chk=000004618-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004618

0 1
S -3.195757 -0.407139 0.569918
S 0.704982 -1.037747 -1.755909
P 2.028715 -0.043795 -0.169661
O 3.438649 0.218872 -1.144609
O 2.475733 -1.306828 0.930254
O -3.831257 -1.593659 -0.441840
O 1.452285 1.208751 0.622945
C -1.499633 0.047014 -0.314939
C -0.808972 -1.276318 -0.612931
C -4.162316 1.203571 0.033829
C -5.648002 0.976214 0.311075
C 4.177303 1.498128 -0.989289
C 3.148311 -2.520210 0.407397
H -1.779820 0.578048 -1.238887
H -0.938130 0.700910 0.371514
H -0.466475 -1.794693 0.297479
H -1.487449 -1.944007 -1.175826
H -3.715430 2.032683 0.608850
H -3.948001 1.312087 -1.042427
H -5.987172 0.054687 -0.195170
H -5.857907 0.882699 1.391417
H -6.240476 1.823310 -0.080703
H 4.673181 1.547807 -0.004118
H 3.501202 2.361758 -1.111190
H 4.925522 1.476925 -1.795064
H 4.131360 -2.262523 -0.022537
H 2.521502 -3.018513 -0.355210
H 3.267655 -3.168232 1.288031


