%chk=000127345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127345

0 1
 S    3.290200     -0.8274000     -0.8490000    
 O   4.3499999E-02   1.337700      -1.802800    
 O   0.1567000       2.688200      1.4300000E-02
 O   -2.732900     -0.8207000      -1.549400    
 O   -1.448200      -2.144600     -0.2229000    
 N  -0.7413000      0.1526000       1.224700    
 C   0.3998000      0.2816000      0.3128000    
 C    1.696800      0.3454000       1.131900    
 C   -2.021700      0.1225000      0.4942000    
 C    2.982100      0.5296000      0.3197000    
 C   0.1831000       1.563900     -0.4708000    
 C   -3.175800      3.2200001E-02   1.483300    
 C   -2.008700      -1.077700     -0.4285000    
 C    3.376300      -2.183300      0.3426000    
 H   0.4617000     -0.5647000     -0.3761000    
 H    1.638100       1.198000       1.824100    
 H    1.777600     -0.5384000       1.776200    
 H  -0.6423000     -0.6919000       1.787800    
 H   -2.164100       1.037100     -9.1100000E-02
 H    3.840600      0.6097000      0.9952000    
 H    2.942800       1.462900     -0.2512000    
 H   -3.183700      0.8926000       2.161000    
 H   -4.135400      9.1000004E-03  0.9551000    
 H   -3.118000     -0.8803000       2.088100    
 H  -8.5299999E-02   2.171300      -2.303500    
 H    4.028000      -1.927900       1.182200    
 H    3.792700      -3.063100     -0.1563000    
 H    2.380300      -2.447400      0.7058000    
 H   -2.743200      -1.587500      -2.161200    


%chk=000127345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127345

0 1
S 3.193904 -0.783707 -0.919662
O -0.311505 2.330047 -1.362404
O 1.226693 3.110933 0.190680
O -2.546763 -2.110278 -0.945107
O -0.684969 -2.239873 0.434056
N -0.835422 0.587497 0.950416
C 0.470813 0.725788 0.263711
C 1.638184 0.404900 1.215423
C -1.923332 -0.072224 0.236403
C 3.026426 0.401576 0.549971
C 0.548123 2.165115 -0.265177
C -3.252832 0.052913 1.020116
C -1.622710 -1.564000 -0.047638
C 2.865120 -2.426371 -0.050793
H 0.541741 0.044125 -0.609334
H 1.655607 1.151208 2.035367
H 1.435558 -0.587256 1.660534
H -0.748657 0.308053 1.932920
H -2.050078 0.418318 -0.746478
H 3.801603 0.129232 1.287375
H 3.274397 1.393826 0.136833
H -3.483183 1.121699 1.161293
H -4.078078 -0.428855 0.471129
H -3.171822 -0.420953 2.016514
H -0.296925 3.282938 -1.651602
H 3.531366 -2.526989 0.821952
H 3.105808 -3.211497 -0.784859
H 1.808948 -2.509289 0.248697
H -2.328316 -3.067374 -1.114136


