%chk=000047656.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047656

0 1
 S    6.875400     -0.5970000     -0.4650000    
 O    2.164600      0.5955000       1.119400    
 O   0.4484000      -1.520700       1.016400    
 O   -1.947800      -2.341400      0.5626000    
 O   -3.604500       2.619200     -0.5359000    
 O    7.691600     -0.1092000      -1.790400    
 O    6.491800      -1.986400     -0.6386000    
 O    7.593900     -0.1503000      0.7149000    
 C   -1.370400     -5.6400001E-02  0.3754000    
 C   -1.810200       1.237200      8.6900003E-02
 C   -3.715500     -0.9497000     -5.4900002E-02
 C   -4.155200      0.3438000     -0.3438000    
 C    4.368500      8.3899997E-02  0.3259000    
 C  -3.2800000E-02 -0.2776000      0.7243000    
 C   -2.307100      -1.197100      0.3153000    
 C   0.8588000      0.7940000      0.7832000    
 C   -3.218600       1.484600     -0.2837000    
 C    3.145700      0.9725000      0.1557000    
 C    5.451600      0.4220000     -0.6836000    
 C  -0.9124000       2.309800      0.1476000    
 C   0.4198000       2.084900      0.4957000    
 C   -4.613400      -2.022300     -0.1155000    
 C   -5.492700      0.5650000     -0.6937000    
 C   -5.945300      -1.797600     -0.4647000    
 C   -6.384000     -0.5068000     -0.7534000    
 H    4.752400      0.1846000       1.348900    
 H    4.068300     -0.9672000      0.2310000    
 H    2.751200      0.8640000     -0.8630000    
 H    3.415300       2.022300      0.3182000    
 H    5.771700       1.464100     -0.5864000    
 H    5.083300      0.2569000      -1.701600    
 H   -1.230300       3.325700     -7.0400000E-02
 H    1.101900       2.929300      0.5464000    
 H   -4.297900      -3.038600      0.1045000    
 H   -5.859500       1.561800     -0.9232000    
 H   -6.641300      -2.630100     -0.5117000    
 H   -7.421500     -0.3347000      -1.025000    
 H  -0.2494000      -2.188600      0.9454000    
 H    7.325900     -0.4194000      -2.652100    


%chk=000047656-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047656

0 1
S 7.322601 -0.307696 -0.172849
O 2.114406 -0.230811 -0.048068
O 0.145967 -1.985488 0.445751
O -2.305074 -2.525708 0.617735
O -3.665919 2.657217 -0.757538
O 8.423800 1.140967 -0.577629
O 7.414056 -1.417942 -1.344416
O 7.530848 -0.747560 1.368821
C -1.587544 -0.312998 0.016959
C -1.925603 1.034645 -0.340932
C -4.048244 -0.903029 0.202317
C -4.397383 0.434976 -0.152770
C 4.503435 -0.123427 -0.117201
C -0.216501 -0.713697 0.108909
C -2.627533 -1.307973 0.295050
C 0.816064 0.252088 -0.162078
C -3.346546 1.464477 -0.440861
C 3.222557 0.701727 -0.314029
C 5.732432 0.751736 -0.370060
C -0.896666 1.956863 -0.599449
C 0.462106 1.571973 -0.511481
C -5.065877 -1.853486 0.468769
C -5.762641 0.799601 -0.234696
C -6.421181 -1.479172 0.384000
C -6.769939 -0.150045 0.031713
H 4.514566 -0.526390 0.911210
H 4.483984 -0.980511 -0.814350
H 3.146281 1.089618 -1.350885
H 3.174366 1.553703 0.395416
H 5.883628 1.557798 0.365089
H 5.821534 1.131643 -1.400135
H -1.173581 2.979950 -0.870295
H 1.238303 2.313992 -0.718546
H -4.768350 -2.871469 0.738086
H -6.004018 1.831539 -0.508333
H -7.206095 -2.214334 0.590052
H -7.824426 0.138437 -0.033191
H -0.741837 -2.514885 0.597180
H 9.374325 0.833675 -0.536166


