%chk=000038230.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038230

0 1
 S   -1.347100       1.958400      0.2095000    
 O   -2.557200       1.605800      0.9339000    
 O  -0.1059000       2.208200      0.9236000    
 O    1.428700      2.5699999E-02 -0.3443000    
 O    2.919300      -1.490400      0.5406000    
 N   0.4946000     -0.9679000     -3.2900002E-02
 N    3.603600      0.5678000     -0.2787000    
 C   -1.872800      -1.603500     -4.4399999E-02
 C  -0.7161000     -0.6194000     -0.3595000    
 C   -1.046800      0.7157000      -1.005100    
 C   -3.022100      -1.431800      -1.046600    
 C   -1.391300      -3.066200     -0.1216000    
 C   -2.371600      -1.334000       1.383200    
 C   -1.706800       3.405200     -0.7607000    
 C    2.673300     -0.4049000      2.3700001E-02
 C    5.018500      0.4314000     -2.0700000E-02
 H  -0.2146000       1.058500      -1.626800    
 H   -1.914900      0.6665000      -1.659900    
 H   -3.780300      -2.211800     -0.9066000    
 H   -3.543200     -0.4760000     -0.9274000    
 H   -2.665800      -1.504100      -2.080600    
 H  -0.9538000      -3.281700      -1.103300    
 H  -0.6241000      -3.277000      0.6324000    
 H   -2.214600      -3.771000      4.1099999E-02
 H   -2.798000      -2.241100       1.828700    
 H   -1.565900     -0.9952000       2.043600    
 H   -3.174200     -0.5944000       1.411500    
 H  -0.8409000       3.634700      -1.384300    
 H   -2.586700       3.206800      -1.375400    
 H   -1.906100       4.232500     -7.6700002E-02
 H    3.275800       1.427400     -0.7082000    
 H    5.326000       1.250400      0.6341000    
 H    5.548000      0.5119000     -0.9731000    
 H    5.247000     -0.5270000      0.4512000    


%chk=000038230-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038230

0 1
S -0.974606 2.059560 0.180785
O -2.312330 2.738540 0.823470
O 0.171134 1.465519 1.202683
O 0.925159 0.241150 -1.578528
O 3.183771 0.034911 -2.260921
N 0.292352 -0.911706 -0.880767
N 2.621470 0.511078 -0.015274
C -1.817768 -1.754853 0.031875
C -0.995386 -0.676962 -0.694037
C -1.623147 0.610381 -1.090651
C -2.995365 -2.199909 -0.885090
C -0.944989 -2.987879 0.375092
C -2.373157 -1.131883 1.349617
C -0.124735 3.353545 -0.939866
C 2.383535 0.219242 -1.324263
C 3.979667 0.555683 0.538181
H -1.272936 0.991132 -2.061569
H -2.709579 0.682952 -0.952903
H -3.597680 -2.964283 -0.361344
H -3.671168 -1.362373 -1.140063
H -2.620354 -2.642771 -1.825341
H -0.517613 -3.446718 -0.533001
H -0.106542 -2.713678 1.037146
H -1.569154 -3.741001 0.890102
H -2.970810 -1.891182 1.885952
H -1.549716 -0.803364 2.007749
H -3.029407 -0.260529 1.167799
H 0.668774 2.819802 -1.479458
H -0.903443 3.758186 -1.601270
H 0.264187 4.114496 -0.249188
H 1.803874 0.746839 0.577352
H 4.096164 -0.188469 1.346671
H 4.206319 1.558263 0.944350
H 4.697476 0.325782 -0.264990


