%chk=000009319.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009319

0 1
 S   -2.856100      -2.332600      -1.040900    
 O   -4.476800      0.2171000     -0.3736000    
 O   -4.351900       1.066700       1.767300    
 N  -0.8862000      -4.015600      0.1453000    
 C    2.517500       1.103400     -0.5704000    
 C    1.202400       1.243000      0.1986000    
 C    3.686800      0.6309000      0.2990000    
 C   5.2499998E-02   1.626500     -0.7356000    
 C    5.012500      0.3875000     -0.4310000    
 C   -1.257500       1.798900      3.5999998E-02
 C    6.121800     -0.1406000      0.4821000    
 C   -2.399200       2.216000     -0.8963000    
 C    7.468200     -0.2975000     -0.2299000    
 C   -3.716900       2.423500     -0.1497000    
 C    8.583400     -0.7947000      0.6767000    
 C   -4.203800       1.178300      0.5580000    
 C   -4.979200      -1.018600      0.1450000    
 C   -3.827200      -1.962400      0.4520000    
 C   -1.690500      -3.329700     -0.3325000    
 H    2.380100      0.3886000      -1.391400    
 H    2.777800       2.065100      -1.029200    
 H   0.9661000      0.2958000      0.6983000    
 H    1.316900       2.002400      0.9814000    
 H    3.852200       1.367800       1.095200    
 H    3.393000     -0.3013000      0.7987000    
 H  -7.2200000E-02  0.8534000      -1.503500    
 H   0.2986000       2.561300      -1.253800    
 H    4.848600     -0.3270000      -1.247000    
 H    5.338100       1.327100     -0.8938000    
 H   -1.128000       2.558100      0.8169000    
 H   -1.503900      0.8560000      0.5381000    
 H    5.817100      -1.108200      0.8992000    
 H    6.245300      0.5447000       1.329900    
 H   -2.528300       1.455500      -1.675800    
 H   -2.133600       3.151000      -1.404300    
 H    7.766600      0.6669000     -0.6581000    
 H    7.355000     -0.9954000      -1.068100    
 H   -4.501800       2.756400     -0.8381000    
 H   -3.599700       3.213700      0.6014000    
 H    8.337200      -1.775500       1.095400    
 H    8.751300     -9.9699996E-02   1.505500    
 H    9.517900     -0.8880000      0.1148000    
 H   -5.641400      -1.448300     -0.6155000    
 H   -5.597800     -0.8560000       1.035800    
 H   -3.158000      -1.507900       1.190500    
 H   -4.218100      -2.896900      0.8678000    


%chk=000009319-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009319

0 1
S -2.558842 -2.099203 -0.857169
O -4.543878 0.251649 -0.462142
O -4.511319 1.025718 1.736779
N -1.081118 -4.431367 0.157589
C 2.537695 1.004888 -0.575295
C 1.208316 1.201720 0.187530
C 3.702625 0.554987 0.334944
C 0.045899 1.665595 -0.718871
C 5.030740 0.346236 -0.427254
C -1.284315 1.846519 0.045795
C 6.198412 -0.090759 0.485833
C -2.440593 2.306719 -0.868839
C 7.525947 -0.304737 -0.276863
C -3.785202 2.511511 -0.115348
C 8.688964 -0.732409 0.644405
C -4.303503 1.238339 0.522045
C -5.023903 -1.061968 0.035414
C -3.870324 -1.920744 0.547076
C -1.703073 -3.482263 -0.231659
H 2.390367 0.253834 -1.379388
H 2.814402 1.953177 -1.082503
H 0.927367 0.248920 0.682970
H 1.358055 1.942863 1.000485
H 3.854328 1.309536 1.135275
H 3.422912 -0.389047 0.847599
H -0.100501 0.926244 -1.533553
H 0.322415 2.622231 -1.210149
H 4.881446 -0.415877 -1.220721
H 5.306326 1.287138 -0.948711
H -1.144773 2.580477 0.866348
H -1.551527 0.884008 0.529451
H 5.923240 -1.029896 1.010148
H 6.351207 0.672721 1.277513
H -2.591087 1.570985 -1.681177
H -2.170454 3.267776 -1.349140
H 7.796634 0.632160 -0.805783
H 7.373844 -1.071974 -1.063458
H -4.549079 2.878385 -0.826943
H -3.671637 3.258021 0.689089
H 8.454692 -1.681131 1.163455
H 8.882168 0.033525 1.419318
H 9.625132 -0.880979 0.075094
H -5.525467 -1.515681 -0.833355
H -5.742688 -0.903397 0.860725
H -3.370136 -1.468026 1.414910
H -4.220915 -2.936725 0.788932


