%chk=000077322.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077322

0 1
 S   0.6948000     -0.9571000      0.4544000    
 P    2.612300     -0.6187000     -0.3361000    
 O    3.682100     -0.5146000      0.8841000    
 O    2.700500      0.8539000      -1.019200    
 O   -2.286300      -2.318600     -0.3698000    
 O    2.970400      -1.706800      -1.315100    
 N   -2.504100     -1.0800000E-02 -0.2018000    
 N   -4.595000       2.525300      0.6474000    
 C   -3.864000      1.7500000E-02  0.2872000    
 C   -4.790300     -0.6426000     -0.7399000    
 C   -3.937300     -0.7386000       1.617200    
 C   -1.826900      -1.184100     -0.4904000    
 C  -0.4138000     -0.9462000     -0.9684000    
 C   -4.272600       1.421700      0.4886000    
 C    5.038300     -0.2353000      0.5809000    
 C    2.399300       2.009500     -0.2564000    
 C    5.832000     -0.1886000       1.869100    
 C    2.560300       3.234100      -1.131800    
 H   -2.016100      0.8725000     -0.3264000    
 H   -5.841200     -0.5438000     -0.4407000    
 H   -4.689200     -0.1716000      -1.725700    
 H   -4.596600      -1.712000     -0.8675000    
 H   -3.216600     -0.3387000       2.341500    
 H   -4.933400     -0.6437000       2.067500    
 H   -3.737700      -1.809600       1.515000    
 H  -0.3346000      9.7000003E-03  -1.494700    
 H  -0.1357000      -1.741600      -1.666300    
 H    5.114000      0.7235000      5.9999999E-02
 H    5.428700      -1.021100     -7.3200002E-02
 H    3.071200       2.071800      0.6044000    
 H    1.369100       1.951900      0.1062000    
 H    6.886900      2.0300001E-02   1.670800    
 H    5.437800      0.5850000       2.536400    
 H    5.754600      -1.140600       2.404500    
 H    2.331700       4.146300     -0.5737000    
 H    3.583800       3.301400      -1.515100    
 H    1.897700       3.176200      -2.001500    


%chk=000077322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077322

0 1
S 1.043091 -1.108829 1.488297
P 2.033013 -0.103106 -0.374576
O 3.617107 0.297750 0.190743
O 1.339691 1.459469 -0.521580
O -2.280117 -2.734421 -0.301981
O 1.891940 -0.999132 -1.677826
N -1.714675 -0.521219 0.222673
N -2.710642 2.741626 0.241485
C -2.989983 0.116463 -0.224896
C -3.205254 -0.099260 -1.752902
C -4.199361 -0.424950 0.593951
C -1.454712 -1.867027 0.122603
C -0.040950 -2.328765 0.506119
C -2.835875 1.573004 0.039393
C 4.628327 -0.801659 0.301987
C 1.624370 2.525188 0.502543
C 5.895120 -0.154779 0.850276
C 0.865084 3.762632 0.039131
H -0.972728 0.078305 0.600670
H -4.127367 0.410103 -2.080620
H -2.351487 0.298432 -2.326011
H -3.298904 -1.179792 -1.945332
H -4.053116 -0.247360 1.672522
H -5.128122 0.075974 0.271944
H -4.287797 -1.507951 0.413251
H 0.503484 -2.578758 -0.423711
H -0.118675 -3.234305 1.127941
H 4.784905 -1.239184 -0.700856
H 4.232660 -1.578861 0.984555
H 2.716050 2.682951 0.538032
H 1.272180 2.170244 1.491350
H 6.687584 -0.919136 0.951871
H 6.257094 0.633957 0.169645
H 5.711164 0.290906 1.842330
H 1.063974 4.594906 0.740429
H 1.199417 4.068504 -0.966436
H -0.222392 3.583978 0.014488


