%chk=000051155.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051155

0 1
 S    2.276400     -0.9583000       2.399900    
 O   -2.633300      -2.115500     -0.5648000    
 O   -2.189000       2.462800      0.7678000    
 O   -3.760000      0.3831000     -0.1671000    
 N    2.518800     -0.2363000     -0.1313000    
 N    4.410700      0.3250000      -1.269200    
 C    2.136200     -0.4270000      -1.498700    
 C    3.389100     -5.7999998E-02  -2.272100    
 C    3.829900      0.1926000     -0.1169000    
 C    1.677300     -0.4598000      0.9154000    
 C   0.2401000     -0.2369000      0.6287000    
 C    4.519400      0.4810000       1.177000    
 C  -0.2970000       1.018300      0.8358000    
 C  -0.5211000      -1.291100      0.1628000    
 C   -1.873600      -1.081500     -0.1067000    
 C   -1.649500       1.228100      0.5666000    
 C   -2.437900      0.1782000      9.5100001E-02
 C   -3.280700      -2.926900      0.4132000    
 C   -2.157800       3.370600     -0.3317000    
 C   -4.197900      0.1515000      -1.504000    
 H    1.300000      0.2253000      -1.770500    
 H    1.841400      -1.468300      -1.666000    
 H    3.751700     -0.9036000      -2.865800    
 H    3.204000      0.7813000      -2.950600    
 H    4.859700     -0.4374000       1.660500    
 H    3.929200       1.127300       1.829700    
 H    5.432100       1.046800      0.9496000    
 H   0.3170000       1.837100       1.201500    
 H  -8.3700001E-02  -2.273400      5.9000002E-03
 H   -2.541300      -3.417300       1.054100    
 H   -3.857500      -3.696000     -0.1075000    
 H   -3.965900      -2.327000       1.020500    
 H   -1.124600       3.580300     -0.6261000    
 H   -2.628300       4.306100     -1.6899999E-02
 H   -2.716100       2.967400      -1.182300    
 H   -3.392600      0.2894000      -2.234000    
 H   -4.988300      0.8738000      -1.728900    
 H   -4.623100     -0.8522000      -1.590900    


%chk=000051155-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051155

0 1
S 2.148228 -1.690819 1.981558
O -2.784501 -2.329852 -0.170171
O -1.772707 2.510290 -0.516455
O -3.699423 0.360737 -0.696251
N 2.763163 -0.068498 -0.161564
N 4.874978 0.410550 -0.988347
C 2.511794 0.328850 -1.594819
C 3.956995 0.382096 -2.170389
C 4.181168 0.115020 0.085590
C 1.806316 -0.679307 0.637239
C 0.380184 -0.413412 0.265358
C 4.793863 0.068901 1.455197
C -0.074722 0.912589 0.046882
C -0.551806 -1.480335 0.224156
C -1.902444 -1.228239 -0.075903
C -1.431611 1.174725 -0.244210
C -2.356096 0.095970 -0.349501
C -3.863722 -2.346784 0.846539
C -2.924398 3.079185 0.221068
C -4.118287 -0.216294 -2.000216
H 2.020631 1.314935 -1.642113
H 1.860256 -0.412826 -2.082249
H 4.197311 -0.507395 -2.783038
H 4.127531 1.276059 -2.792365
H 4.881125 -0.967110 1.819877
H 4.173528 0.607968 2.191597
H 5.792663 0.528294 1.391726
H 0.600364 1.769503 0.132462
H -0.232615 -2.503283 0.440842
H -3.426836 -2.427331 1.859446
H -4.460158 -3.244104 0.622751
H -4.488556 -1.438294 0.774740
H -3.842051 2.502863 0.020595
H -3.019444 4.109682 -0.153105
H -2.708924 3.091968 1.306727
H -3.536002 0.245058 -2.818719
H -5.183678 0.039527 -2.103030
H -3.978315 -1.311386 -1.999806


