%chk=000062273.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062273

0 1
 S   -1.044600     -0.8243000      -1.703900    
 O   -4.198800      -2.527300      0.4519000    
 O    4.837700       1.298800       1.895600    
 N   -2.348400      -1.208400       1.069100    
 N    4.587000     -0.3353000      0.2171000    
 C   -1.864500      0.4047000     -0.6988000    
 C   0.6364000     -0.6782000      -1.130300    
 C   -2.413600      9.0400003E-02  0.5455000    
 C    1.510000      0.2144000      -1.751300    
 C    1.078400      -1.456600     -6.0699999E-02
 C   -1.949200       1.710000      -1.185900    
 C    2.825800      0.3287000      -1.302400    
 C    2.394100      -1.342200      0.3882000    
 C    3.267900     -0.4497000     -0.2326000    
 C   -3.045500       1.078600       1.300300    
 C   -2.581100       2.698300     -0.4310000    
 C   -3.129300       2.382600      0.8122000    
 C   -3.274600      -1.867100      0.7596000    
 C    4.712200      0.4827000       1.057300    
 H    1.184400      0.8288000      -2.587100    
 H   0.4152000      -2.161700      0.4338000    
 H   -1.529600       1.978800      -2.152500    
 H    3.498400       1.026000      -1.795500    
 H    2.728400      -1.956200       1.220700    
 H   -3.474500      0.8470000       2.272100    
 H   -2.646300       3.713600     -0.8109000    
 H   -3.620600       3.152200       1.400200    


%chk=000062273-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000062273

0 1
S -0.986159 0.378394 -2.103457
O -1.174521 -3.201235 -0.747492
O 6.534099 -1.482147 1.043612
N -2.289854 -1.278016 0.244318
N 4.339972 -0.492239 0.682628
C -2.087694 0.976768 -0.757799
C 0.603906 0.109402 -1.190219
C -2.615828 0.076247 0.220931
C 1.491712 -0.866851 -1.701896
C 0.967332 0.876089 -0.059878
C -2.476899 2.334364 -0.740415
C 2.743999 -1.071395 -1.090836
C 2.212112 0.663861 0.563551
C 3.110358 -0.306701 0.049970
C -3.506067 0.570187 1.209789
C -3.373587 2.815564 0.240741
C -3.881300 1.928332 1.217853
C -1.698163 -2.188401 -0.326061
C 5.426712 -1.026702 0.811222
H 1.202585 -1.478647 -2.562641
H 0.284219 1.633566 0.337041
H -2.068696 3.008755 -1.499758
H 3.430149 -1.828848 -1.483701
H 2.502185 1.247177 1.442559
H -3.895807 -0.131363 1.953192
H -3.666751 3.870118 0.242471
H -4.572714 2.292323 1.984976


