%chk=000005133.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005133

0 1
 S    1.430500       1.216200      0.8289000    
 O   0.2289000      -2.560600      -1.932800    
 O    4.082600      -1.480400      0.6580000    
 O   -3.120800      -2.073000      -1.006400    
 O   -3.605700      -3.494700      0.6921000    
 O    4.946600       1.985100      0.6805000    
 O    7.204500       1.762800      0.7082000    
 O   -5.825200       1.801100      0.5407000    
 O   -5.441800       1.395000      -1.582400    
 N    1.547900      -1.865700     -0.1515000    
 N    4.536700      5.0000001E-02  -1.025500    
 N   -2.378100      -1.250800       2.155400    
 N   -5.041200       1.704600     -0.4343000    
 C    2.297800     -0.8568000     -0.8634000    
 C  -0.7248000      -2.896100       1.410300    
 C  -6.2899999E-02  -3.609800      0.2298000    
 C    1.604900      0.5079000     -0.8415000    
 C   -1.794000      -1.888600      0.9730000    
 C   0.5670000      -2.639200     -0.7549000    
 C    3.723000     -0.8215000     -0.3156000    
 C   0.5238000       2.712200      0.3783000    
 C  -0.9407000       2.445400      0.1647000    
 C   -2.933100      -2.575600      0.2418000    
 C    5.921700      0.2757000     -0.6837000    
 C   -1.831000       2.545600       1.233800    
 C   -1.409100       2.099500      -1.102800    
 C   -3.189600       2.299600       1.035600    
 C   -2.767700       1.853500      -1.301200    
 C   -3.657900       1.953600     -0.2320000    
 C    6.107600       1.405000      0.2967000    
 H    2.373300      -1.180600      -1.910100    
 H   -1.171100      -3.662500       2.058300    
 H   3.2299999E-02  -2.386900       2.019200    
 H   0.7199000      -4.284100      0.5965000    
 H  -0.7892000      -4.227200     -0.3104000    
 H    2.142900       1.228500      -1.464900    
 H   0.6103000      0.3709000      -1.270200    
 H    1.770500      -2.014900      0.8279000    
 H   -1.361600      -1.109300      0.3369000    
 H   0.9708000       3.180700     -0.5061000    
 H   0.6467000       3.438300       1.190500    
 H    4.165000      0.5442000      -1.830700    
 H   -1.648800     -0.7638000       2.675100    
 H   -3.043200     -0.5353000       1.864000    
 H    6.446400      0.5277000      -1.609500    
 H    6.340600     -0.6365000     -0.2486000    
 H   -1.478600       2.812600       2.226700    
 H  -0.7353000       2.043200      -1.953000    
 H   -3.853600       2.385600       1.891800    
 H   -3.097500       1.591400      -2.303200    
 H   -3.850400      -2.528400      -1.478000    
 H    5.093900       2.715500       1.318500    


%chk=000005133-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005133

0 1
S 1.651974 1.468884 1.147881
O -0.077629 -1.594712 -1.420097
O 4.160687 -1.313196 1.013453
O -4.021591 -1.856724 -1.005813
O -3.038010 -3.934284 -0.672944
O 6.290260 1.874735 -1.954735
O 8.189290 1.572785 -0.641411
O -5.538824 0.561878 0.689664
O -5.349440 1.164469 -1.501689
N 1.697194 -1.670723 0.065582
N 4.787286 0.193584 -0.630265
N -3.431939 -1.703960 1.804186
N -4.887004 1.083947 -0.301993
C 2.449878 -0.627513 -0.627712
C -1.269366 -2.806938 1.378224
C -0.162256 -3.263278 0.387707
C 1.754834 0.759389 -0.603330
C -2.414180 -1.976294 0.761856
C 0.476367 -2.120085 -0.395606
C 3.869476 -0.612552 -0.007159
C 0.497379 2.951141 0.771390
C -0.919810 2.516993 0.489850
C -3.139926 -2.731943 -0.356122
C 6.144700 0.324297 -0.097580
C -1.792674 2.174971 1.558958
C -1.396256 2.411714 -0.844970
C -3.097442 1.716393 1.309678
C -2.699779 1.952713 -1.116642
C -3.529434 1.599499 -0.032337
C 7.000575 1.298121 -0.886674
H 2.524089 -0.898121 -1.703261
H -1.712386 -3.708357 1.839235
H -0.816621 -2.203154 2.190892
H 0.604992 -3.823760 0.953985
H -0.615957 -3.951410 -0.345681
H 2.307129 1.477999 -1.237024
H 0.735554 0.623946 -0.998037
H 2.171900 -2.086634 0.876157
H -1.992808 -1.056535 0.298042
H 0.940304 3.509733 -0.069751
H 0.573448 3.565335 1.683728
H 4.546969 0.757656 -1.448248
H -3.037288 -1.389691 2.695184
H -4.236080 -1.146520 1.492140
H 6.660974 -0.655062 -0.084551
H 6.121796 0.658935 0.957806
H -1.436342 2.261430 2.591479
H -0.739789 2.688531 -1.677575
H -3.784234 1.460871 2.120047
H -3.075406 1.847988 -2.137537
H -4.537712 -2.341928 -1.704478
H 6.876330 2.504536 -2.453405


