%chk=000123747.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123747

0 1
 S    3.333900      0.5296000     -0.3309000    
 O   -3.878900     -0.2749000       1.215500    
 O    2.365300     -0.1051000      0.8356000    
 O    1.219500      -2.332700     -0.3678000    
 O    4.843900      0.2868000      0.2399000    
 O    3.185200     -0.2509000      -1.545300    
 O    3.107000       1.963000     -0.3589000    
 N   -5.141100      0.8236000      -1.129400    
 C   -3.204700     -0.2958000     -4.9899999E-02
 C   -1.732500     -0.2484000      0.1828000    
 C   -3.697200      0.8823000     -0.9136000    
 C  -0.9306000      -1.322400     -0.2035000    
 C   -1.157400      0.8696000      0.7870000    
 C   0.4466000      -1.278300      1.4500000E-02
 C    1.021500     -0.1601000      0.6187000    
 C   0.2195000      0.9137000       1.005100    
 H   -3.480900      -1.239300     -0.5376000    
 H   -3.183100      0.8841000      -1.881600    
 H   -3.489100       1.839700     -0.4241000    
 H   -1.369400      -2.198200     -0.6754000    
 H   -1.764400       1.711500       1.108100    
 H   0.6597000       1.785900       1.480700    
 H   -4.834400     -0.2816000       1.033900    
 H   -5.379100     -4.3000001E-02  -1.610100    
 H   -5.420500       1.581500      -1.750900    
 H    2.141400      -2.145100     -0.1206000    
 H    4.981900      0.5343000       1.184300    


%chk=000123747-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123747

0 1
S 4.545691 0.353325 0.267420
O -3.676443 -0.737680 1.334010
O 1.984433 1.844402 0.240769
O 1.447544 -0.071018 -1.753029
O 3.317814 -0.814149 1.090122
O 4.145228 -0.021651 -1.461031
O 5.998287 -0.312775 0.410258
N -5.445397 -0.096428 -0.514863
C -3.102868 -0.668716 0.003995
C -1.708186 -0.085864 0.057919
C -4.055987 0.232982 -0.883058
C -0.761158 -0.415932 -0.892385
C -1.406841 0.881803 1.127811
C 0.558624 0.203798 -0.881115
C 0.866684 1.249058 0.230200
C -0.190991 1.512386 1.219354
H -3.061202 -1.680457 -0.456228
H -3.815431 0.082438 -1.953598
H -3.876431 1.294845 -0.638906
H -0.956830 -1.159427 -1.673408
H -2.197145 1.047481 1.867166
H 0.041179 2.223656 2.018620
H -4.668985 -0.619647 1.155337
H -5.847973 -0.906648 -0.995417
H -6.092855 0.693776 -0.474410
H 3.146120 0.142407 -1.607992
H 3.675218 -1.742166 0.968962


