%chk=000080810.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080810

0 1
 S   -3.512300     -0.3418000      7.8800000E-02
 O    3.874200      -1.900300     -3.0000001E-04
 O   -3.944600     -0.4861000      -1.491300    
 O   -3.570100      -1.675500      0.6592000    
 O   -4.274900      0.7529000      0.6583000    
 N    4.561200      0.8253000     -4.3900002E-02
 C   0.5250000     -0.4064000      2.4900001E-02
 C   0.8484000      0.9712000      3.0000000E-03
 C   -1.840700      0.1616000      4.9699999E-02
 C  -0.8245000     -0.7945000      4.8000000E-02
 C  -0.1872000       1.920000      4.6000001E-03
 C    2.197700       1.359600     -2.0300001E-02
 C    1.560600      -1.354900      2.2900000E-02
 C   -1.522600       1.516400      2.7799999E-02
 C    3.213900      0.4036000     -2.1500001E-02
 C    2.895800     -0.9512000       0.000000    
 H   -1.072700      -1.854000      5.7100002E-02
 H   3.8300000E-02   2.984300     -1.4000000E-02
 H    2.455500       2.417600     -3.7099998E-02
 H    1.328400      -2.418400      3.9700001E-02
 H   -2.296400       2.278800      2.0500001E-02
 H    4.763700       1.816900     -6.3600004E-02
 H    5.326200      0.1771000     -0.1531000    
 H    4.741200      -1.486300      0.1274000    
 H   -3.442500      -1.159600      -2.007800    


%chk=000080810-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080810

0 1
S -3.527614 -0.456276 0.057864
O 4.046467 -1.873386 0.113269
O -3.783134 -0.453560 -1.788454
O -3.623851 -1.984323 0.582574
O -4.481278 0.688637 0.692663
N 4.676281 0.828229 -0.058229
C 0.602800 -0.435050 0.023984
C 0.903884 0.986732 0.010857
C -1.754441 0.112630 0.023450
C -0.762021 -0.859839 0.026445
C -0.177144 1.931206 0.008500
C 2.268829 1.408147 -0.021511
C 1.680986 -1.378064 0.056699
C -1.507876 1.511285 0.011553
C 3.315100 0.475846 -0.024454
C 2.996109 -0.935032 0.059210
H -1.019027 -1.924311 0.046623
H 0.052180 3.002572 0.001454
H 2.494288 2.480108 -0.075662
H 1.481921 -2.452440 0.113929
H -2.341458 2.219066 0.023015
H 4.922848 1.815048 -0.000330
H 5.316330 0.243947 -0.598244
H 4.801371 -1.495397 0.637782
H -4.739952 -0.699473 -1.953984


