%chk=000101166.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101166

0 1
 S   -2.754700      -2.284200      0.7091000    
 O  -0.7992000      -1.167900     -0.7465000    
 O   0.6508000      0.6503000       1.996900    
 O  -0.5092000       1.755600      -1.260900    
 O   -2.619600      0.7834000      0.4323000    
 O    2.791300     -0.5360000     -0.7654000    
 O    2.084500       2.332400       1.324800    
 O    1.071300       1.778800      -2.945600    
 O   -2.852800       2.490800       1.970900    
 O  -0.9386000      -4.123200      0.1354000    
 O    4.092700      -2.135700      0.2762000    
 C  -0.3008000       1.062700       1.020600    
 C   0.3194000      0.9902000     -0.3805000    
 C   -1.544300      0.1732000       1.146300    
 C   0.4212000     -0.4410000     -0.9340000    
 C   -1.263200      -1.233600      0.6024000    
 C    1.618100      -1.223900     -0.3981000    
 C    1.803700       1.378300       2.037600    
 C  -8.8500001E-02   1.824400      -2.558600    
 C   -2.961900       2.043100      0.8375000    
 C   -2.110300      -3.778100      4.1299999E-02
 C    2.704000      0.8345000       3.105100    
 C   -1.271600       1.966000      -3.467600    
 C    3.977600      -1.099600     -0.3646000    
 C   -3.502300       2.821300     -0.3238000    
 C   -3.151300      -4.597800     -0.6668000    
 C    5.133800     -0.2641000     -0.8239000    
 H  -0.5453000       2.108600       1.235200    
 H    1.306200       1.443700     -0.4465000    
 H   -1.830000      8.3899997E-02   2.203900    
 H   0.5536000     -0.4251000      -2.019500    
 H  -0.5046000      -1.719100       1.224600    
 H    1.578700      -1.345800      0.6882000    
 H    1.618600      -2.230000     -0.8363000    
 H    3.632000       1.413000       3.125900    
 H    2.217200      0.9198000       4.079800    
 H    2.949800     -0.2078000       2.886500    
 H  -0.9354000       1.935900      -4.507900    
 H   -1.965100       1.136700      -3.305200    
 H   -1.766100       2.922900      -3.284700    
 H   -3.913000       2.149000      -1.082600    
 H   -2.706900       3.428900     -0.7601000    
 H   -4.315400       3.464500      2.3800001E-02
 H   -2.688600      -5.510500      -1.054500    
 H   -3.946600      -4.884600      2.6799999E-02
 H   -3.566300      -4.038600      -1.510100    
 H    6.069100     -0.7260000     -0.4954000    
 H    5.137300     -0.2058000      -1.915200    
 H    5.064600      0.7343000     -0.3849000    


%chk=000101166-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101166

0 1
S -2.950082 -2.292058 0.243117
O -0.846220 -1.280177 -1.103777
O 0.592779 0.339482 1.835753
O -0.068184 1.766592 -1.511026
O -2.613909 0.749156 0.005774
O 2.849408 -1.276876 -1.393924
O 1.592505 2.436694 2.061065
O 2.009342 1.937460 -2.562481
O -3.052221 2.198513 1.781890
O -0.990633 -4.134941 0.864741
O 3.681769 -0.111030 0.448833
C -0.253205 0.906098 0.747761
C 0.528762 0.766934 -0.577276
C -1.565727 0.094579 0.826251
C 0.486830 -0.646794 -1.208932
C -1.355120 -1.310397 0.271420
C 1.590662 -1.591871 -0.665393
C 1.534789 1.240211 2.405730
C 0.812846 2.294000 -2.469627
C -3.298866 1.814724 0.618016
C -2.203568 -3.972382 0.618564
C 2.411557 0.525421 3.397422
C 0.107770 3.324606 -3.319282
C 3.793680 -0.467210 -0.747508
C -4.324077 2.382102 -0.333723
C -3.232367 -5.081272 0.550182
C 4.889573 -0.073780 -1.703987
H -0.437330 1.975298 0.949898
H 1.578980 1.059275 -0.403267
H -1.890832 0.065881 1.881836
H 0.642980 -0.554970 -2.296544
H -0.667686 -1.872765 0.933729
H 1.757389 -1.498329 0.420534
H 1.342419 -2.628419 -0.939829
H 2.829380 1.247089 4.115024
H 1.859402 -0.269170 3.922767
H 3.240377 0.062230 2.831371
H 0.756585 3.626368 -4.153842
H -0.843421 2.919274 -3.702840
H -0.132672 4.211091 -2.705777
H -4.988030 1.581496 -0.701301
H -3.814350 2.813401 -1.213236
H -4.912772 3.159979 0.172828
H -2.965569 -5.880444 1.261086
H -4.250759 -4.713335 0.756041
H -3.222967 -5.513248 -0.468374
H 5.778935 0.253787 -1.146130
H 5.139100 -0.902711 -2.384707
H 4.516648 0.768234 -2.316952


