%chk=000129579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129579

0 1
 S  -0.6533000      0.5536000      -1.749600    
 O  -0.2563000       1.455400       1.663900    
 O  -0.4614000      -1.933000       1.409300    
 O   9.0300001E-02  0.2032000       3.574000    
 N    1.247400     -0.6892000      0.4527000    
 N    3.716700      -3.367000     -0.4055000    
 C   -1.634700      0.8338000     -0.2307000    
 C  -0.9601000      0.3685000       1.071200    
 C  -4.3699998E-02 -0.8546000      0.9710000    
 C    1.714600      0.4789000     -0.2377000    
 C    2.219100      -1.762500      0.6727000    
 C   0.9285000       1.161600      -1.186700    
 C   -3.029100      0.2488000     -0.3969000    
 C    2.731000      -2.321200     -0.6468000    
 C    3.021200      0.9440000      4.6000001E-03
 C    1.441200       2.296500      -1.836700    
 C   -4.133000       1.095300     -0.4429000    
 C   -3.192600      -1.129400     -0.5025000    
 C    2.724800       2.758500      -1.555700    
 C    3.517000       2.078400     -0.6402000    
 C   -5.411500      0.5590000     -0.5956000    
 C   -4.471200      -1.665600     -0.6551000    
 C   -5.580600     -0.8215000     -0.7017000    
 C    4.838600      -2.848100      0.3795000    
 C    4.198600      -3.924500      -1.670900    
 C    3.239100       3.990000      -2.220400    
 C   0.2162000       1.232200       2.924200    
 C   -6.947600      -1.395000     -0.8648000    
 C   0.9307000       2.454000       3.417100    
 H   -1.741800       1.925400     -0.1727000    
 H   -1.755900      0.1080000       1.785500    
 H    2.991000      -1.367400       1.336600    
 H    1.752800      -2.577200       1.240300    
 H    1.879400      -2.736900      -1.201500    
 H    3.160300      -1.536300      -1.280800    
 H    3.675100      0.4701000      0.7303000    
 H   0.8381000       2.822800      -2.574800    
 H   -4.017700       2.172500     -0.3609000    
 H   -2.345200      -1.806900     -0.4800000    
 H    4.520400       2.425200     -0.4076000    
 H   -6.268200       1.226900     -0.6286000    
 H   -4.590100      -2.742700     -0.7374000    
 H    5.244800      -1.916900     -3.2200001E-02
 H    5.655200      -3.580300      0.4065000    
 H    4.569200      -2.696300       1.428900    
 H    3.365600      -4.335500      -2.252200    
 H    4.890600      -4.754100      -1.488100    
 H    4.711500      -3.175000      -2.284700    
 H    2.845400       4.081500      -3.238400    
 H    2.946000       4.876100      -1.648600    
 H    4.331400       3.971200      -2.300600    
 H   -6.920000      -2.322900      -1.446200    
 H   -7.384900      -1.608200      0.1157000    
 H   -7.605800     -0.7019000      -1.399500    
 H   0.2375000       3.297900       3.456800    
 H    1.774900       2.679400       2.760700    
 H    1.313100       2.268600       4.424900    


%chk=000129579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129579

0 1
S -0.348815 0.606430 -1.573471
O -0.197207 1.669405 1.772230
O -0.186982 -1.931811 1.381233
O 0.142799 0.660191 3.850197
N 1.511255 -0.473806 0.743249
N 3.409508 -3.493523 -0.598239
C -1.533271 0.825148 -0.043437
C -0.814319 0.409795 1.261871
C 0.199319 -0.752658 1.113590
C 1.932586 0.760858 0.135266
C 2.459032 -1.627934 0.744046
C 1.188815 1.374712 -0.913307
C -2.830166 0.107706 -0.355995
C 2.341004 -2.471443 -0.550280
C 3.146723 1.363142 0.547928
C 1.667013 2.560006 -1.514383
C -3.858793 0.817489 -1.027899
C -3.051063 -1.254433 -0.023422
C 2.888657 3.158684 -1.116430
C 3.619865 2.537349 -0.071925
C -5.078406 0.188552 -1.353258
C -4.276450 -1.874310 -0.347357
C -5.311728 -1.169204 -1.013768
C 4.683927 -2.980906 -1.136053
C 2.996990 -4.756043 -1.242112
C 3.376948 4.439695 -1.768989
C 0.246239 1.658920 3.108131
C -6.637258 -1.839456 -1.329640
C 0.842065 3.002668 3.459836
H -1.706461 1.912618 0.019320
H -1.543866 0.055328 2.012650
H 3.483458 -1.236785 0.853963
H 2.228803 -2.268912 1.609296
H 1.358410 -2.972539 -0.539414
H 2.359017 -1.795399 -1.440247
H 3.715321 0.911359 1.368307
H 1.072514 3.015775 -2.314112
H -3.699333 1.868326 -1.300551
H -2.270087 -1.827395 0.489346
H 4.565648 2.979281 0.263661
H -5.859447 0.756472 -1.873455
H -4.430559 -2.926757 -0.079268
H 4.627921 -2.721873 -2.224327
H 5.477123 -3.738902 -1.004065
H 4.994259 -2.072225 -0.590235
H 2.091759 -5.147455 -0.746635
H 3.799322 -5.508181 -1.128632
H 2.778281 -4.651389 -2.335091
H 3.095802 4.482926 -2.835938
H 2.937513 5.330225 -1.278762
H 4.474629 4.535561 -1.701056
H -6.510277 -2.921427 -1.510244
H -7.348017 -1.729385 -0.487271
H -7.114585 -1.396415 -2.221456
H 0.093918 3.801322 3.316275
H 1.689585 3.221871 2.786754
H 1.183664 2.995951 4.504776


