%chk=000028213.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028213

0 1
 S   -3.074500     -7.1000000E-03  0.2197000    
 S    1.025200      0.4676000      -1.140600    
 P    2.713700      0.3714000      0.1069000    
 O   -3.004300      -1.371400      0.7136000    
 O   -3.173400       1.110300       1.142800    
 O    4.056700      0.4871000     -0.8024000    
 O    2.854300      -1.106000      0.7708000    
 O    2.644600       1.448000       1.159000    
 C   -1.684000      0.2698000     -0.8341000    
 C   -4.457500      9.1200002E-02 -0.8931000    
 C  -0.3878000      0.2220000     -4.6700001E-02
 C   -5.768000     -0.1233000     -0.1694000    
 C    5.320800      0.3928000     -0.1681000    
 C    2.934100      -2.252300     -5.8600001E-02
 H   -1.709100     -0.5070000      -1.605900    
 H   -1.826500       1.248500      -1.304800    
 H   -4.436000       1.080000      -1.360500    
 H   -4.316600     -0.6725000      -1.663600    
 H  -0.2744000     -0.7432000      0.4576000    
 H  -0.3746000      0.9980000      0.7254000    
 H   -6.605200     -5.8899999E-02 -0.8712000    
 H   -5.800100      -1.107500      0.3089000    
 H   -5.918400      0.6310000      0.6096000    
 H    5.460800     -0.6060000      0.2522000    
 H    5.400200       1.143500      0.6225000    
 H    6.099600      0.5768000     -0.9122000    
 H    3.598100      -2.078100     -0.9088000    
 H    1.935900      -2.515500     -0.4170000    
 H    3.327200      -3.083100      0.5324000    


%chk=000028213-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028213

0 1
S -2.986263 -0.718192 -0.765328
S 1.373277 -1.899065 -1.287765
P 1.591761 -0.075812 0.116771
O -4.241329 -0.820782 -1.811247
O -2.917176 -1.699148 0.554158
O 3.166209 0.494734 -0.310843
O 1.883750 -0.622102 1.712544
O 0.382644 0.955942 0.038763
C -1.315608 -1.025819 -1.801404
C -2.856214 1.120520 -0.116719
C -0.518714 -2.110895 -1.090859
C -3.872387 1.301358 1.005038
C 3.312835 1.350037 -1.513127
C 2.983379 -1.584024 1.977496
H -1.699883 -1.292034 -2.796918
H -0.825525 -0.040489 -1.791605
H -1.802766 1.211865 0.197997
H -3.064562 1.713179 -1.022437
H -0.712416 -3.114746 -1.500715
H -0.762824 -2.143429 -0.013118
H -3.769578 2.321242 1.420283
H -4.907862 1.176623 0.644598
H -3.690496 0.578128 1.818357
H 2.742103 2.286673 -1.392718
H 2.983222 0.812232 -2.420976
H 4.390278 1.561498 -1.570699
H 3.958287 -1.117636 1.759572
H 2.848129 -2.501904 1.376532
H 2.888531 -1.811855 3.048767


