%chk=000079798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079798

0 1
 S    4.208300       1.078000     -0.3744000    
 S   -3.928700      0.2921000      0.6648000    
 S    6.042300      0.1777000      8.7300003E-02
 S   -5.891500      0.4680000     -4.4900000E-02
 O    7.146400       1.331900     -0.2380000    
 O   -6.468600       1.796100      0.7036000    
 O    6.058800     -6.5499999E-02   1.517000    
 O    6.241500     -0.9081000     -0.8533000    
 O   -5.815800      0.7534000      -1.464900    
 O   -6.634000     -0.6777000      0.4439000    
 C   0.5560000     -0.9404000      6.4599998E-02
 C  -0.8760000     -0.4710000     -0.2103000    
 C    1.570700      0.1631000     -0.2527000    
 C   -1.893400      -1.558400      0.1499000    
 C    3.021500     -0.2444000      4.1999999E-03
 C   -3.337400      -1.194600     -0.1966000    
 H   0.6537000      -1.232500       1.117200    
 H   0.7778000      -1.827400     -0.5407000    
 H   -1.065200      0.4386000      0.3700000    
 H  -0.9779000     -0.2088000      -1.270400    
 H    1.330800       1.047700      0.3513000    
 H    1.456500      0.4552000      -1.304600    
 H   -1.818500      -1.792400       1.219500    
 H   -1.637100      -2.480300     -0.3873000    
 H    3.144800     -0.5271000       1.054900    
 H    3.273000      -1.118100     -0.6062000    
 H   -3.993400      -2.030400      6.7699999E-02
 H   -3.428900      -1.030500      -1.275500    
 H    7.144500       1.668400      -1.164700    
 H   -6.453100       1.765300       1.689000    


%chk=000079798-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079798

0 1
S 4.167752 1.404828 1.181307
S -3.714812 0.488034 -1.642859
S 5.539917 -0.135406 -0.127461
S -5.417558 0.163978 0.036961
O 5.776266 0.833834 -1.675154
O -4.409212 0.830126 1.450941
O 7.033052 -0.284615 0.429575
O 4.622070 -1.434517 -0.435738
O -6.704234 1.110843 -0.167566
O -5.615333 -1.424567 0.277802
C 0.407603 -0.518385 0.534338
C -0.642952 -0.440407 -0.595887
C 1.650063 0.359054 0.246397
C -1.895462 -1.291384 -0.297585
C 2.694445 0.234907 1.363497
C -2.964218 -1.230899 -1.396045
H -0.060457 -0.197605 1.487716
H 0.721632 -1.573530 0.672407
H -0.951767 0.615041 -0.741326
H -0.184458 -0.776703 -1.549259
H 1.337532 1.415712 0.137821
H 2.102007 0.045999 -0.714544
H -2.342408 -0.979957 0.666119
H -1.600765 -2.355723 -0.184588
H 2.281129 0.492630 2.358133
H 3.103811 -0.790915 1.424426
H -3.814809 -1.909756 -1.191689
H -2.562849 -1.482011 -2.397606
H 4.871959 1.013278 -2.068326
H -5.020844 0.946017 2.238592


