%chk=000100699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100699

0 1
 S   -4.992100      -1.848700      0.4084000    
 O   -1.004900     -0.6816000      0.9361000    
 O    4.678400      0.7690000     -0.6596000    
 O    1.942900      -2.142700     -0.7655000    
 O   -2.422700       1.948900     -0.1591000    
 O    4.187000      -2.308200      -1.241100    
 O   -2.681800      -1.372900      -1.641000    
 O   -1.979900       3.951400      0.8049000    
 O   -6.193300      -1.074500     -3.2699998E-02
 C    2.013200     -0.3638000      0.7358000    
 C    1.772800      0.9312000     -0.1246000    
 C    3.426600     -0.9659000      0.6547000    
 C  -0.7083000      0.2656000     -0.1011000    
 C  -0.2114000      -1.170000     -0.1592000    
 C    1.163600      -1.544400      0.2843000    
 C    4.528300      5.6400001E-02  0.5757000    
 C    4.202700       1.520600      0.4591000    
 C   0.2958000       1.340500      7.1999997E-02
 C    2.787100       1.999800      0.3693000    
 C   -1.932400      0.7505000     -0.8282000    
 C    3.278100      -1.868300     -0.5539000    
 C    1.916900      0.7676000      -1.666100    
 C    3.714900      -1.880800       1.868500    
 C  -0.1271000       2.596600      0.2937000    
 C   -3.099700     -0.2252000     -0.8945000    
 C   -1.575200       2.889900      0.3424000    
 C   -3.601200     -0.6719000      0.4902000    
 C   -4.263300      0.4174000      -1.664900    
 C   -5.114800      -2.086400       2.196300    
 H    1.766800     -0.1124000       1.778100    
 H  -0.6428000      -1.915300     -0.8033000    
 H    1.060600      -2.298100       1.074100    
 H    5.447700     -0.2335000       1.067600    
 H    4.872900       2.243800      0.9029000    
 H    2.503600       2.336000       1.375500    
 H    2.762000       2.887100     -0.2754000    
 H   -1.639800       1.035900      -1.848400    
 H    1.812500       1.739600      -2.165300    
 H    2.873500      0.3546000      -1.983900    
 H    1.150400      0.1164000      -2.099900    
 H    3.695800      -1.306500       2.801800    
 H    3.004000      -2.707300       1.964100    
 H    4.708600      -2.337800       1.783600    
 H   0.5443000       3.435700      0.4253000    
 H   -3.907600      0.1797000       1.106100    
 H   -2.904000      -1.285800       1.045700    
 H   -4.967100     -0.3265000      -2.051700    
 H   -3.889200      0.9278000      -2.561500    
 H   -4.804000       1.158200      -1.066900    
 H   -2.806600      -2.176600      -1.111100    
 H   -4.202200      -2.556500       2.569900    
 H   -5.964500      -2.742200       2.401000    
 H   -5.273800      -1.126100       2.692600    


%chk=000100699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100699

0 1
S -4.907419 -2.221456 1.056726
O -0.630271 -0.787148 1.495783
O 4.704662 0.994478 -1.163142
O 2.081161 -2.214597 -0.784264
O -2.429525 1.719031 0.411328
O 4.256999 -2.289705 -1.616374
O -2.620513 -1.672241 -1.029907
O -1.994850 3.777961 1.315379
O -4.901788 -2.847425 -0.534398
C 2.288392 -0.357993 0.734356
C 1.848517 0.915599 -0.065484
C 3.717554 -0.876685 0.402317
C -0.577121 0.091927 0.240417
C -0.051316 -1.315131 0.190974
C 1.422394 -1.594209 0.411311
C 4.741431 0.229583 0.131419
C 4.306768 1.669576 0.134768
C 0.404057 1.235339 0.318223
C 2.841898 2.057033 0.290161
C -1.912666 0.531297 -0.348458
C 3.458121 -1.836798 -0.789664
C 1.783876 0.722530 -1.625618
C 4.282588 -1.738691 1.575858
C -0.087814 2.480791 0.582253
C -3.126411 -0.447985 -0.401191
C -1.528481 2.737128 0.805908
C -3.628217 -0.745650 1.039256
C -4.230062 0.184391 -1.281864
C -6.542531 -1.235080 1.122046
H 2.206883 -0.117284 1.810161
H -0.673366 -2.065163 -0.308876
H 1.482884 -2.340658 1.226986
H 5.767450 -0.012448 0.437026
H 5.030500 2.430698 0.455367
H 2.690593 2.371145 1.343929
H 2.645496 2.943353 -0.343594
H -1.715668 0.856887 -1.390865
H 1.440802 1.668474 -2.083182
H 2.778591 0.496711 -2.037237
H 1.085835 -0.077590 -1.921815
H 4.488036 -1.098100 2.452515
H 3.578111 -2.528730 1.887317
H 5.223397 -2.226964 1.267682
H 0.553756 3.361414 0.670006
H -4.142309 0.114713 1.494973
H -2.804303 -1.101197 1.675713
H -5.049079 -0.541270 -1.427467
H -3.813141 0.410371 -2.279112
H -4.616892 1.120341 -0.843337
H -3.434176 -2.302218 -1.077155
H -6.638223 -0.791030 2.124966
H -7.333079 -1.975779 0.934884
H -6.520231 -0.471244 0.333801


