%chk=000127992.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127992

0 1
 S   -3.356200     -0.7146000     -0.4173000    
 O   -2.613900      0.3040000      0.6379000    
 O   -1.282600       2.120300     -0.9905000    
 O   -4.944800     -0.3997000     -0.2129000    
 O   -2.997000     -0.3363000      -1.771600    
 O   -3.121100      -2.071200      4.2199999E-02
 N    5.109500     -0.3456000     -0.3062000    
 C    3.023700      0.5485000      0.6855000    
 C    1.533900      0.4863000      0.6706000    
 C    3.652000     -0.3965000     -0.3487000    
 C   0.8086000       1.340000     -0.1605000    
 C   0.8656000     -0.4252000       1.488200    
 C  -0.5851000       1.282200     -0.1741000    
 C   -1.253300      0.3706000      0.6435000    
 C  -0.5280000     -0.4830000       1.474700    
 C    5.688700      -1.279600      -1.260700    
 H    3.353400       1.579200      0.4986000    
 H    3.390700      0.3015000       1.690800    
 H    3.301600     -0.1183000      -1.350900    
 H    3.308200      -1.421200     -0.1566000    
 H    1.323700       2.051400     -0.8016000    
 H    1.419200      -1.096800       2.139100    
 H   -1.041500      -1.194600       2.115500    
 H    5.432000     -0.5788000      0.6325000    
 H    5.385900      -1.039400      -2.285100    
 H    5.405200      -2.313000      -1.036000    
 H    6.780400      -1.214100      -1.217500    
 H   -2.232900       1.962500     -0.8555000    
 H   -5.247700     -0.3537000      0.7243000    


%chk=000127992-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127992

0 1
S -4.802563 -0.179216 0.144870
O -2.289907 -1.704292 0.491265
O -1.619827 -0.166229 -1.774203
O -3.563456 1.060568 0.842336
O -4.320861 -0.071907 -1.598204
O -6.231120 0.551314 0.129948
N 5.257088 0.337813 -0.134432
C 2.828188 0.759002 0.129958
C 1.443453 0.157265 0.174970
C 3.950667 -0.318149 -0.005523
C 0.551510 0.297461 -0.872782
C 1.057351 -0.611189 1.377380
C -0.779279 -0.297426 -0.823499
C -1.165887 -1.124633 0.433881
C -0.169177 -1.210283 1.514971
C 6.372796 -0.529005 -0.554077
H 2.930420 1.455869 -0.718614
H 3.016792 1.335180 1.060135
H 3.772979 -0.910926 -0.923392
H 3.890767 -1.031518 0.853975
H 0.807533 0.871442 -1.769623
H 1.792663 -0.683703 2.188586
H -0.454113 -1.768802 2.412398
H 5.487145 0.928371 0.674281
H 6.161653 -0.942566 -1.557404
H 6.569722 -1.388474 0.130607
H 7.296894 0.069714 -0.630049
H -3.323411 -0.290395 -1.676255
H -3.889823 1.969614 0.576195


