%chk=000004936.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004936

0 1
 S   -2.915100     -0.8262000      -1.586800    
 O  -6.7000002E-02  0.9089000       1.168800    
 O   -1.652800      1.2000001E-03  -1.026200    
 O   -3.478700      -1.375500     -0.1795000    
 O   -2.386000      -1.987500      -2.377200    
 C  -0.7006000       1.798500      0.2507000    
 C   -1.992300       1.147000     -0.2467000    
 C  -0.9732000       3.127400      0.9546000    
 C   -2.814100       2.106800      -1.106600    
 C   -1.787800       4.076600      8.3800003E-02
 C   -3.083500       3.424800     -0.3900000    
 C    5.085400     -0.9188000     -0.2251000    
 C    1.182600      0.4664000      0.8302000    
 C    3.723700     -0.4357000      0.1438000    
 C    1.411500     -0.8967000      0.6711000    
 C    2.214300       1.381800      0.6489000    
 C    2.685500      -1.349000      0.3270000    
 C    3.488200      0.9296000      0.3046000    
 C    5.063300      -1.694600      -1.578600    
 C    6.168600      0.1967000     -0.4024000    
 C    5.657300      -1.883100      0.8602000    
 C   -4.530200      -2.324600     -0.2886000    
 C   -4.968900      -2.758400       1.038200    
 C   -5.330300      -3.115500       2.125800    
 H  -5.7200000E-02   1.982000     -0.6223000    
 H   -2.574000      0.8284000      0.6295000    
 H   -1.504800       2.941200       1.897100    
 H  -2.8300000E-02   3.603600       1.240200    
 H   -3.784900       1.680500      -1.382400    
 H   -2.290200       2.300900      -2.052100    
 H   -2.018100       4.988100      0.6466000    
 H   -1.190700       4.379000     -0.7853000    
 H   -3.615100       4.108800      -1.061100    
 H   -3.739400       3.246200      0.4709000    
 H   0.6051000      -1.610900      0.8117000    
 H    2.050100       2.447100      0.7806000    
 H    2.840600      -2.417400      0.2076000    
 H    4.258500       1.682000      0.1766000    
 H    4.675400      -1.060300      -2.384400    
 H    4.431300      -2.587900      -1.527900    
 H    6.068400      -2.025700      -1.865000    
 H    6.316800      0.7637000      0.5240000    
 H    5.897100      0.8970000      -1.201000    
 H    7.139900     -0.2355000     -0.6722000    
 H    5.703000      -1.386700       1.836700    
 H    6.669800      -2.216300      0.6041000    
 H    5.041100      -2.781600      0.9748000    
 H   -5.376700      -1.876300     -0.8234000    
 H   -4.188200      -3.199600     -0.8546000    
 H   -5.650700      -3.432200       3.090700    


%chk=000004936-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004936

0 1
S -2.610315 -0.059725 -2.647341
O -0.620640 0.873368 0.932679
O -1.545489 1.268594 -1.831466
O -3.167551 -0.970339 -1.114821
O -1.450641 -0.922944 -3.347667
C -1.030686 2.175090 0.355788
C -2.160299 1.969654 -0.677268
C -1.519952 3.040848 1.537150
C -2.774766 3.306961 -1.141150
C -2.114475 4.387163 1.063066
C -3.264689 4.154533 0.057428
C 4.602044 -1.518472 0.005353
C 0.663243 0.352827 0.633703
C 3.219828 -0.851193 0.200154
C 1.276119 -0.401322 1.662528
C 1.307278 0.498371 -0.614542
C 2.533002 -0.994351 1.438896
C 2.575654 -0.096271 -0.811749
C 4.461179 -3.060153 0.188989
C 5.192766 -1.249742 -1.402714
C 5.600412 -0.964265 1.066585
C -2.116711 -1.875587 -0.540786
C -2.738951 -3.153599 -0.192505
C -3.245957 -4.231441 0.125136
H -0.163406 2.654324 -0.140938
H -2.926735 1.314604 -0.212799
H -2.286571 2.465026 2.091936
H -0.671700 3.198380 2.227962
H -3.605482 3.102471 -1.843312
H -2.004642 3.868196 -1.706260
H -2.475890 4.960019 1.937512
H -1.323664 4.999700 0.583606
H -3.663628 5.119331 -0.307883
H -4.100216 3.633841 0.568282
H 0.760315 -0.504085 2.622729
H 0.808848 1.023006 -1.434546
H 2.987530 -1.572240 2.252123
H 3.051220 0.025634 -1.789435
H 3.763415 -3.481274 -0.557736
H 4.077306 -3.317554 1.192509
H 5.443626 -3.553945 0.064678
H 5.337969 -0.168921 -1.586115
H 4.545250 -1.654951 -2.202169
H 6.179705 -1.740062 -1.490582
H 5.730207 0.127487 0.950714
H 6.589782 -1.446156 0.950902
H 5.248866 -1.155225 2.096474
H -1.309289 -2.020657 -1.290750
H -1.695978 -1.363581 0.342340
H -3.688541 -5.173171 0.394710


