%chk=000002659.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002659

0 1
 S   -1.344400     -0.5127000       2.544400    
 O  -0.2585000      -3.036100      -1.208800    
 O   -4.847500       1.561800      0.1919000    
 O   -2.566500      -1.314700      -2.534100    
 O   -4.110900      -2.511800      -1.346000    
 O    2.618300     -0.1783000       2.326800    
 O    4.863300       1.402300      -1.283900    
 O    6.144000     -0.2728000     -0.2353000    
 O   -7.115900       1.422400     -0.1753000    
 N   -1.290800      -1.300900      9.3999999E-03
 N    1.880300      -1.138000      0.3156000    
 N    5.063200     -0.8414000      0.4529000    
 N   -6.045600       3.456900     -0.1300000    
 C  -0.4890000     -0.5429000      0.9527000    
 C   0.5853000      -1.637400      0.7716000    
 C  -0.3270000      -2.167300     -0.3713000    
 C   -2.598400      -1.041900     -0.2498000    
 C   -3.335400     -0.2448000      0.5599000    
 C   -2.807400      0.3426000       1.866800    
 C   -4.766900      0.1560000      0.2965000    
 C   -3.194700      -1.717400      -1.411800    
 C    2.757300     -0.4608000       1.147300    
 C    4.031000     -5.3800002E-02  0.4578000    
 C    4.063000       1.254600     -0.1958000    
 C   -6.093100       2.087200     -4.8799999E-02
 C    3.408500       2.431300      8.5699998E-02
 C    3.834100       3.361700     -0.8922000    
 C    4.718200       2.687300      -1.701700    
 C    7.225200      -1.191300     -0.1946000    
 H  -0.2118000      0.4454000      0.5646000    
 H   0.6913000      -2.363200       1.586700    
 H   -2.559900       1.399700       1.721200    
 H   -3.580300      0.2830000       2.640500    
 H    2.168300      -1.289500     -0.6484000    
 H   -5.155500     -0.2840000     -0.6268000    
 H   -5.397300     -0.1935000       1.123700    
 H   -2.933900      -1.742600      -3.336700    
 H    2.711300       2.604200      0.8932000    
 H    3.534100       4.394600     -0.9942000    
 H    5.298200       2.964600      -2.569800    
 H   -6.881000       4.005200     -0.3042000    
 H   -5.173400       3.962800     -1.8100001E-02
 H    8.071600     -0.7537000     -0.7302000    
 H    6.946400      -2.129300     -0.6847000    
 H    7.524600      -1.381200      0.8409000    


%chk=000002659-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002659

0 1
S -1.804721 1.674514 1.373757
O 0.115981 -2.583133 1.488174
O -5.754890 0.143942 -0.882434
O -1.901728 -3.341850 -0.565082
O -3.952395 -3.349890 0.527643
O 2.781430 1.398404 2.009048
O 6.499715 1.471650 -0.215362
O 5.130844 -0.030569 -1.905765
O -6.750769 1.571064 0.721074
N -1.309260 -0.894182 0.425721
N 1.808951 0.070555 0.362654
N 3.977052 0.042484 -1.061863
N -7.194127 1.758664 -1.577258
C -0.757483 0.478452 0.350983
C 0.549978 -0.047394 1.048409
C -0.155776 -1.450241 1.067386
C -2.666092 -1.265031 0.319154
C -3.669397 -0.316571 0.351588
C -3.409025 1.174569 0.490552
C -5.136081 -0.664964 0.214782
C -2.934459 -2.726090 0.142015
C 2.869352 0.780634 0.905925
C 4.139703 0.750617 0.056842
C 5.303062 1.461262 0.555912
C -6.595559 1.203319 -0.471290
C 5.520464 2.197580 1.728992
C 6.874410 2.676813 1.693214
C 7.432247 2.219592 0.506630
C 4.791522 -0.852979 -3.085948
H -0.647171 0.861494 -0.675366
H 0.672092 0.361159 2.068209
H -3.406466 1.655223 -0.504589
H -4.221732 1.638525 1.076546
H 1.995367 -0.415333 -0.522289
H -5.309355 -1.714046 -0.054386
H -5.672815 -0.427413 1.153570
H -2.055257 -4.324647 -0.582270
H 4.770935 2.352686 2.499556
H 7.371650 3.281441 2.448567
H 8.409455 2.320024 0.042003
H -7.824294 2.545166 -1.447441
H -7.031384 1.368589 -2.502510
H 5.717809 -0.871027 -3.680499
H 3.971802 -0.386465 -3.659747
H 4.508814 -1.874296 -2.777206


