%chk=000099462.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099462

0 1
 S  -0.4508000      -5.557800     -0.8872000    
 O   0.5526000      -1.837400     -0.3401000    
 O    1.008700       1.722400      -1.052700    
 O   -1.514000       1.624200      0.4370000    
 O   -2.960000     -0.7864000     -0.1651000    
 O    2.943600     -0.7329000      0.5244000    
 O    2.020900       2.510600      0.8685000    
 O   -1.474700       3.066600      -1.367000    
 O   -3.434900      0.2868000       1.824800    
 O    5.191600     -0.8493000      4.3000001E-03
 N   -1.436200      -3.173200      0.1027000    
 C   0.5231000      0.5868000     -0.3421000    
 C   -1.004900      0.5717000     -0.3847000    
 C    1.090900     -0.6815000     -0.9832000    
 C   -1.565700     -0.7508000      0.1398000    
 C  -0.8647000      -1.956000     -0.4997000    
 C    2.609400     -0.7491000     -0.8514000    
 C    1.747200       2.608000     -0.3200000    
 C   -1.700500       2.821800     -0.1896000    
 C   -3.782300     -0.2289000      0.7710000    
 C    2.188300       3.744000      -1.192500    
 C   -2.234900       3.823700      0.7884000    
 C    4.280500     -0.7882000      0.8188000    
 C   -5.207100     -0.3373000      0.3192000    
 C   -1.008600      -4.175000     -0.3273000    
 C    4.482600     -0.7628000       2.303600    
 H   0.8038000      0.6112000      0.7191000    
 H   -1.355700      0.7080000      -1.417500    
 H   0.8476000     -0.7144000      -2.053400    
 H   -1.409800     -0.8060000       1.227000    
 H   -1.096700      -1.968500      -1.576000    
 H    2.969800      -1.688400      -1.288100    
 H    3.086400      9.1300003E-02  -1.367900    
 H    2.799200       3.363300      -2.014900    
 H    2.792600       4.439900     -0.6036000    
 H    1.315200       4.277900      -1.575500    
 H   -3.198600       3.484700       1.176700    
 H   -2.380100       4.782400      0.2825000    
 H   -1.519000       3.964300       1.602200    
 H   -5.478400      -1.388900      0.1976000    
 H   -5.861800      0.1065000       1.074800    
 H   -5.340000      0.2064000     -0.6194000    
 H    3.998200      -1.630700       2.757800    
 H    5.552800     -0.8042000       2.525300    
 H    4.076800      0.1645000       2.715800    


%chk=000099462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099462

0 1
S -1.959860 -5.855587 0.283639
O 0.424088 -2.019234 -0.505621
O 1.350298 1.576030 -0.940108
O -1.224696 1.676540 0.542344
O -2.997479 -0.499577 -0.355597
O 3.134889 -0.984406 0.391142
O 2.144345 2.339140 1.127322
O -2.050419 2.988094 -1.216437
O -3.685915 -0.861470 1.855963
O 4.655493 0.643061 -0.324854
N -1.648899 -3.101423 -0.305257
C 0.694331 0.416397 -0.292517
C -0.828873 0.602386 -0.392819
C 1.135628 -0.846815 -1.066610
C -1.583198 -0.670626 0.028386
C -1.034919 -1.904739 -0.739549
C 2.634306 -1.134403 -0.996380
C 2.081499 2.463674 -0.113248
C -1.830712 2.834644 0.001656
C -3.974353 -0.635545 0.666253
C 2.779611 3.497520 -0.957308
C -2.141144 3.802868 1.118036
C 4.156643 -0.034980 0.602201
C -5.350307 -0.469437 0.068453
C -1.737191 -4.288519 -0.070140
C 4.497708 0.055741 2.066884
H 1.009488 0.351912 0.763961
H -1.114844 0.901287 -1.420582
H 0.861193 -0.734818 -2.140884
H -1.507126 -0.841540 1.117564
H -1.219370 -1.760879 -1.830020
H 2.816026 -2.182270 -1.285884
H 3.191005 -0.445701 -1.655330
H 3.751484 3.074108 -1.272978
H 2.971826 4.401699 -0.360498
H 2.195703 3.741098 -1.857913
H -2.801872 3.325045 1.861754
H -2.623502 4.701845 0.708967
H -1.210846 4.080181 1.643542
H -5.566353 -1.314866 -0.608533
H -6.102540 -0.443109 0.869515
H -5.399276 0.453493 -0.533305
H 4.259697 -0.881219 2.591689
H 5.560666 0.314352 2.189869
H 3.890167 0.869349 2.505634


