%chk=000086594.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086594

0 1
 S  -0.4094000      -4.278000     -0.7475000    
 P  -5.0200000E-02  -2.427400     -0.2738000    
 O   -1.078500      -1.316600     -0.8550000    
 O    1.404000      -1.891900     -0.7599000    
 O  -3.7799999E-02  -2.117000       1.319700    
 C   -2.977500      0.1395000     -0.4419000    
 C    3.290200     -0.4108000     -0.3989000    
 C   -4.494500      0.1106000     -0.1594000    
 C    3.691300       1.079000     -0.4371000    
 C   -2.183500       1.104000      0.4673000    
 C    3.791000      -1.168600      0.8512000    
 C   -2.424000      -1.294300     -0.3987000    
 C    1.769200     -0.5336000     -0.5871000    
 C   -5.175100       1.473300     -0.3246000    
 C    5.206100       1.307200     -0.4067000    
 C   -6.676300       1.437200     -2.5599999E-02
 C    5.592800       2.788500     -0.4278000    
 C   -2.270600      0.8070000       1.958100    
 C    3.291700     -0.6227000       2.181900    
 C   -7.353300       2.792200     -0.1625000    
 C    7.094500       3.022600     -0.3717000    
 H   -2.834600      0.5070000      -1.468000    
 H    3.760400     -0.9066000      -1.260000    
 H   -4.682000     -0.2746000      0.8500000    
 H   -4.971900     -0.5967000     -0.8500000    
 H    3.295000       1.531000      -1.355800    
 H    3.221200       1.616500      0.3951000    
 H   -1.126500       1.082500      0.1743000    
 H   -2.511200       2.134700      0.2915000    
 H    4.886500      -1.183700      0.8626000    
 H    3.487200      -2.220300      0.7767000    
 H   -2.499400      -1.717700      0.6079000    
 H   -3.003100      -1.939200      -1.068800    
 H    1.230300     -9.3300000E-02  0.2576000    
 H    1.456300      3.3000000E-03  -1.489400    
 H   -4.716700       2.204300      0.3500000    
 H   -5.016500       1.837000      -1.347000    
 H    5.633100      0.8623000      0.4985000    
 H    5.667300      0.7987000      -1.262100    
 H   -7.164200      0.7267000     -0.7035000    
 H   -6.835100       1.064800      0.9935000    
 H    5.194800       3.254400      -1.337000    
 H    5.124300       3.298500      0.4223000    
 H   -1.897600     -0.1918000       2.197300    
 H   -3.297300      0.8924000       2.325200    
 H   -1.661900       1.527300       2.514900    
 H    2.201000     -0.6417000       2.247000    
 H    3.632400      0.4031000       2.348100    
 H    3.680700      -1.234800       3.002400    
 H   -6.916800       3.518400      0.5304000    
 H   -7.245800       3.180700      -1.180100    
 H   -8.421600       2.708000      5.9700001E-02
 H    7.520900       2.604200      0.5454000    
 H    7.594000       2.556400      -1.226800    
 H    7.313500       4.094800     -0.3915000    
 H   0.3901000      -2.761800       1.922300    


%chk=000086594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086594

0 1
S -0.522948 -4.271870 -0.722708
P -0.061310 -2.360650 -0.130053
O -1.091429 -1.034719 -0.504068
O 1.420527 -1.760896 -0.732057
O 0.022577 -2.121243 1.605709
C -3.145308 0.266592 -0.321293
C 3.402362 -0.353817 -0.447692
C -4.677011 0.170584 -0.068680
C 3.879501 1.113195 -0.247386
C -2.421120 1.335665 0.545044
C 4.058442 -1.376582 0.521381
C -2.535332 -1.132177 -0.143180
C 1.868399 -0.376130 -0.362355
C -5.450184 1.474926 -0.368658
C 5.402690 1.316253 -0.413227
C -6.982018 1.301682 -0.251510
C 5.814664 2.804005 -0.333412
C -2.482004 1.105420 2.072506
C 3.848114 -1.095292 2.027121
C -7.757013 2.603706 -0.548205
C 7.337029 3.016859 -0.477674
H -2.996675 0.550464 -1.384743
H 3.672511 -0.660068 -1.480348
H -4.869506 -0.135651 0.980079
H -5.092609 -0.637906 -0.706776
H 3.356152 1.760966 -0.982242
H 3.571832 1.475086 0.755618
H -1.361341 1.366254 0.229388
H -2.847379 2.328756 0.305292
H 5.143792 -1.417598 0.307754
H 3.657329 -2.377711 0.276063
H -2.624948 -1.485361 0.901991
H -3.011678 -1.866646 -0.819799
H 1.507023 -0.134327 0.654861
H 1.409887 0.319093 -1.087683
H -5.126163 2.277053 0.324325
H -5.198683 1.824186 -1.391948
H 5.947922 0.749401 0.367817
H 5.727456 0.897423 -1.388520
H -7.313149 0.505415 -0.949092
H -7.231645 0.944308 0.768539
H 5.283548 3.371927 -1.124496
H 5.471294 3.224600 0.634103
H -1.971302 0.169059 2.362504
H -3.522409 1.061373 2.444363
H -1.976119 1.931837 2.604624
H 2.776307 -1.093514 2.299922
H 4.277406 -0.122290 2.329488
H 4.341156 -1.876243 2.634863
H -7.466859 3.407417 0.154722
H -7.547689 2.963733 -1.573165
H -8.848762 2.454980 -0.458697
H 7.889525 2.483513 0.318906
H 7.701240 2.635274 -1.450199
H 7.603966 4.087815 -0.414295
H 0.226842 -2.963129 2.089878


