%chk=000012594.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012594

0 1
 S    5.695400     -0.5661000      0.1744000    
 O   -6.249500      0.5489000      0.7995000    
 O    4.714700      0.7382000      0.1046000    
 O    7.177800      5.3300001E-02 -0.1086000    
 O    5.678200      -1.051000       1.542000    
 O    5.369400      -1.461000     -0.9204000    
 C   -1.036500      0.5944000      0.2719000    
 C   -1.693600     -0.6916000     -0.3139000    
 C   -3.109900     -0.8305000      0.2492000    
 C   -3.993400      0.3829000     -9.6000001E-02
 C   0.4179000      0.8146000     -0.3069000    
 C   -1.956900       1.844600      0.1744000    
 C   -3.408400       1.594900      0.6213000    
 C   -3.959600      -2.036500     -0.1360000    
 C  -0.8427000      -1.922700      2.9400000E-02
 C    1.207300     -0.5024000     -0.3110000    
 C    1.152400       1.848000      0.5985000    
 C   -5.312800     -0.1490000      0.4344000    
 C   -5.341300      -1.668400      0.4246000    
 C   0.6259000      -1.703400     -0.1457000    
 C   -4.199800      0.6576000      -1.596500    
 C   0.3717000       1.347800      -1.759000    
 C    2.703000     -0.4094000     -0.5057000    
 C    2.652900       1.962800      0.3344000    
 C    3.337700      0.6041000      0.4413000    
 H  -0.9237000      0.4053000       1.352200    
 H   -1.744100     -0.6142000      -1.406100    
 H   -3.006500     -0.8826000       1.347400    
 H   -1.980100       2.221600     -0.8523000    
 H   -1.547400       2.654000      0.7892000    
 H   -3.433500       1.444700       1.708500    
 H   -4.013200       2.489200      0.4275000    
 H   -3.592100      -2.969000      0.3036000    
 H   -3.998900      -2.172800      -1.222200    
 H   -1.151900      -2.759800     -0.6080000    
 H   -1.014700      -2.234400       1.067200    
 H    1.017300       1.572800       1.653500    
 H   0.7072000       2.843100      0.4804000    
 H   -5.457400      -2.026000       1.451800    
 H   -6.146300      -2.041900     -0.2117000    
 H    1.238300      -2.601900     -0.1374000    
 H   -3.263800      0.8562000      -2.125200    
 H   -4.694500     -0.1746000      -2.109000    
 H   -4.846100       1.532700      -1.735500    
 H    1.367400       1.407800      -2.211700    
 H  -0.2313000      0.7059000      -2.409300    
 H  -4.3900002E-02   2.359400      -1.805900    
 H    3.126700      -1.402500     -0.3313000    
 H    2.929900     -0.1581000      -1.549000    
 H    2.840200       2.403900     -0.6523000    
 H    3.105000       2.657500       1.053000    
 H    3.264400      0.2501000       1.477800    
 H    7.238700      0.6649000     -0.8796000    


%chk=000012594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012594

0 1
S 5.941532 -0.626381 0.170216
O -6.285370 0.690327 1.002867
O 4.781590 0.806010 -0.094732
O 7.368285 0.499189 0.227114
O 5.638055 -1.284522 1.605205
O 6.131294 -1.555947 -1.117273
C -1.025800 0.552923 0.223714
C -1.722681 -0.730710 -0.338954
C -3.136733 -0.838825 0.261291
C -4.018061 0.414800 -0.008519
C 0.411808 0.763748 -0.392516
C -1.920471 1.826425 0.119786
C -3.362222 1.636240 0.664950
C -4.055907 -2.038349 -0.096739
C -0.884190 -1.983818 0.005341
C 1.192212 -0.567040 -0.387363
C 1.185956 1.787482 0.508260
C -5.375746 -0.047758 0.555107
C -5.435824 -1.591650 0.469521
C 0.599548 -1.775484 -0.192087
C -4.286469 0.682011 -1.524930
C 0.337943 1.301213 -1.855818
C 2.695970 -0.482494 -0.639303
C 2.694026 1.922465 0.181250
C 3.363820 0.542466 0.295382
H -0.871638 0.353738 1.310061
H -1.794791 -0.652011 -1.443274
H -2.996522 -0.875160 1.368453
H -1.980833 2.157086 -0.933630
H -1.443907 2.656100 0.675694
H -3.332349 1.474547 1.761287
H -3.958643 2.551744 0.492892
H -3.710222 -2.986652 0.349557
H -4.104068 -2.188962 -1.191620
H -1.221100 -2.844902 -0.606301
H -1.076577 -2.278349 1.061553
H 1.075786 1.480170 1.568408
H 0.723919 2.787892 0.412751
H -5.603536 -1.981385 1.492397
H -6.305803 -1.910877 -0.132227
H 1.229770 -2.677235 -0.178785
H -3.352048 0.889273 -2.073444
H -4.780279 -0.172924 -2.020969
H -4.949531 1.559643 -1.628541
H 1.325662 1.277019 -2.347725
H -0.343867 0.685179 -2.468899
H -0.017932 2.346806 -1.884588
H 3.146917 -1.483697 -0.503936
H 2.909454 -0.171475 -1.681862
H 2.841916 2.310679 -0.843326
H 3.172058 2.633735 0.878762
H 3.343104 0.187787 1.345806
H 6.988093 1.401308 0.445538


