%chk=000153304.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153304

0 1
 S    5.131700      0.5410000       1.185300    
 O   -4.521600      3.3799998E-02  0.6246000    
 O   -3.226900       2.638100      0.1753000    
 O   -3.510800      -2.380200     -0.5141000    
 O    2.813100       2.030600     -0.3545000    
 O    2.721000      -2.146200      0.3228000    
 O  -0.5395000       3.035900     -0.9412000    
 O  -0.6952000      -2.940200     -0.2032000    
 O   0.9991000       3.929100      0.5216000    
 O    1.117600      -3.455300      -1.523400    
 C   -5.157700       1.311800      0.6707000    
 C   -5.360600     -0.9436000      6.6999998E-03
 C   -4.169600       2.335700       1.206000    
 C   -4.743900      -2.318800      0.2023000    
 C    4.862200      0.7576000     -0.6035000    
 C    4.673400      -1.209000       1.388000    
 C    3.441800      0.9814000     -0.9566000    
 C    3.209900      -1.419500       1.366600    
 C   -2.335500       3.683700      0.5672000    
 C   -2.949500      -3.693400     -0.4775000    
 C   -1.490300       4.074600     -0.6351000    
 C   -1.566600      -3.646600      -1.105300    
 C    1.530400       2.063100     -0.8228000    
 C    1.366200      -2.222500      0.4769000    
 C    2.577600      0.3527000      -1.826800    
 C    2.180900      -1.045700       2.204000    
 C    1.344300       1.040800      -1.732500    
 C   0.9934000      -1.557300       1.628500    
 C   0.6758000       3.101900     -0.3216000    
 C   0.6295000      -2.933600     -0.5287000    
 H   -6.021500       1.247800       1.341200    
 H   -5.491200       1.591700     -0.3352000    
 H   -5.443000     -0.7088000      -1.060300    
 H   -6.355400     -0.9224000      0.4656000    
 H   -4.708800       3.249300       1.479300    
 H   -3.634200       1.945700       2.078600    
 H   -4.543800      -2.497100       1.264900    
 H   -5.428200      -3.085800     -0.1768000    
 H    5.273000     -0.1032000      -1.141100    
 H    5.442600       1.632400     -0.9164000    
 H    5.064600      -1.539600       2.356200    
 H    5.178700      -1.807900      0.6232000    
 H   -1.710800       3.326800       1.392800    
 H   -2.917100       4.552700      0.8944000    
 H   -3.595800      -4.370200      -1.046300    
 H   -2.881900      -4.033600      0.5623000    
 H   -2.118300       4.195000      -1.524100    
 H  -0.9720000       5.024100     -0.4603000    
 H   -1.190000      -4.665100      -1.248500    
 H   -1.589300      -3.111200      -2.060700    
 H    2.806000     -0.5020000      -2.447500    
 H    2.273600     -0.4695000       3.113500    
 H   0.4336000      0.8188000      -2.270800    
 H  -1.2400000E-02  -1.450100       2.010000    


%chk=000153304-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153304

0 1
S 5.169896 0.549439 1.160233
O -4.556397 0.121132 0.690980
O -3.444814 2.977077 0.035205
O -3.408171 -2.406610 -0.540343
O 2.752566 2.276685 -0.559615
O 2.913746 -2.199618 0.294127
O -0.686629 3.350461 -1.117796
O -0.528402 -3.327239 -0.073852
O 0.986214 4.474088 0.099472
O 1.074884 -2.971585 -1.750750
C -5.219515 1.425837 0.578436
C -5.271967 -0.908200 -0.064536
C -4.292352 2.499893 1.132191
C -4.654601 -2.269485 0.219931
C 4.685867 0.758374 -0.689428
C 4.912750 -1.331311 1.421250
C 3.248624 1.019367 -0.951156
C 3.495176 -1.762322 1.496224
C -2.484941 3.992575 0.468944
C -2.878014 -3.769155 -0.478918
C -1.658437 4.406583 -0.744070
C -1.497421 -3.770471 -1.112703
C 1.389047 2.297586 -0.919963
C 1.566438 -2.505597 0.580351
C 2.229652 0.276333 -1.547515
C 2.542067 -1.805112 2.514212
C 1.047179 1.091792 -1.529462
C 1.317394 -2.278849 1.932423
C 0.607232 3.484636 -0.573475
C 0.733902 -2.943418 -0.540234
H -6.175169 1.403657 1.150175
H -5.448047 1.667077 -0.481772
H -5.224408 -0.695956 -1.154222
H -6.343217 -0.931895 0.245082
H -4.888053 3.347923 1.541093
H -3.678787 2.070365 1.952705
H -4.459372 -2.374594 1.308633
H -5.375017 -3.061218 -0.090930
H 5.014762 -0.148258 -1.220325
H 5.313571 1.608599 -1.005402
H 5.429574 -1.513442 2.377060
H 5.449378 -1.859461 0.616420
H -1.825417 3.602996 1.273436
H -3.022450 4.887290 0.862168
H -3.543988 -4.461975 -1.043202
H -2.811189 -4.129723 0.570443
H -2.308058 4.517655 -1.626389
H -1.111008 5.342173 -0.532293
H -1.203732 -4.784024 -1.442617
H -1.456239 -3.084941 -1.976475
H 2.314269 -0.737193 -1.935919
H 2.705000 -1.510090 3.548545
H 0.056341 0.835839 -1.896638
H 0.358882 -2.425988 2.423960


