%chk=000021007.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021007

0 1
 S   -2.887600      0.2567000     -7.6099999E-02
 S    1.776300      6.0999999E-03  -2.473700    
 P    1.657600      2.6799999E-02 -0.5292000    
 O   0.1784000      0.2528000      0.1095000    
 O   -3.180100      0.6454000      -1.445000    
 O   -2.328000      -1.051100      0.2186000    
 O    2.519700       1.170400      0.2428000    
 O    2.140800      -1.319400      0.2464000    
 C   -1.829000       1.481500      0.6306000    
 C   -4.388900      0.4224000      0.8619000    
 C  -0.4703000       1.504100     -4.2199999E-02
 C   -5.442500     -0.5594000      0.4003000    
 C    3.936200       1.111700      0.2314000    
 C    1.610700      -2.578500     -0.1323000    
 C    4.484600       2.284100       1.016400    
 C    2.222100      -3.653500      0.7407000    
 H   -2.323800       2.451700      0.5318000    
 H   -1.724300       1.230900       1.691200    
 H   -4.141700      0.2518000       1.913900    
 H   -4.743400       1.450000      0.7391000    
 H  -0.5766000       1.726000      -1.108800    
 H   0.1479000       2.284900      0.4117000    
 H   -6.356900     -0.4412000      0.9896000    
 H   -5.694300     -0.4038000     -0.6536000    
 H   -5.097200      -1.592300      0.5114000    
 H    4.296300       1.152200     -0.8008000    
 H    4.266300      0.1716000      0.6837000    
 H    1.848900      -2.782100      -1.180000    
 H   0.5231000      -2.563500     -1.1500000E-02
 H    5.578100       2.269500       1.028100    
 H    4.148400       3.230800      0.5807000    
 H    4.119600       2.261600       2.048500    
 H    1.833500      -4.640600      0.4753000    
 H    3.312000      -3.662400      0.6353000    
 H    2.006200      -3.461000       1.796800    


%chk=000021007-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000021007

0 1
S -2.580456 -0.094385 0.430371
S 1.661333 0.724484 -2.296804
P 1.735845 0.501866 -0.240893
O 0.387793 1.137453 0.661096
O -2.089650 -0.503842 -1.081766
O -2.225031 -1.067731 1.699157
O 2.996345 1.305518 0.609575
O 1.900756 -1.074629 0.412386
C -1.921388 1.729767 0.775761
C -4.523181 0.091640 0.380989
C -0.645587 1.935576 -0.016459
C -5.131165 -1.305252 0.310575
C 4.406876 1.036179 0.188164
C 0.825148 -2.092770 0.128099
C 5.265265 2.069763 0.909901
C 1.456125 -3.455267 0.388298
H -2.731801 2.401707 0.445933
H -1.774742 1.750325 1.865950
H -4.767662 0.634374 1.309334
H -4.701793 0.710779 -0.512975
H -0.764336 1.610345 -1.070620
H -0.361122 3.005881 0.005946
H -6.233801 -1.226702 0.319837
H -4.829252 -1.826210 -0.613925
H -4.819569 -1.912864 1.177586
H 4.478147 1.132710 -0.913027
H 4.665740 0.002998 0.484186
H 0.486606 -1.979384 -0.919138
H -0.018855 -1.881679 0.807968
H 6.330708 1.910926 0.660071
H 4.981411 3.092234 0.608811
H 5.144943 1.979040 2.002627
H 0.695474 -4.244127 0.240238
H 2.297357 -3.642778 -0.300697
H 1.825617 -3.521741 1.425946


