%chk=000152319.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152319

0 1
 S   -2.558900      -2.069800       1.233200    
 O    1.606800      0.2078000      0.6138000    
 O   0.9299000     -0.3249000      -1.515300    
 O   -2.415200       1.593600       1.028900    
 O   -3.970700      0.9889000     -0.5075000    
 N  -0.5963000      9.6000001E-02  0.1806000    
 C    2.970400      0.1072000      0.2017000    
 C    3.217500       1.122200     -0.9134000    
 C    3.842200      0.4199000       1.415900    
 C    3.226000      -1.316400     -0.2910000    
 C   -1.810300     -9.5700003E-02 -0.5791000    
 C   0.6688000     -3.5000000E-02 -0.3524000    
 C   -2.259800      -1.555200     -0.4882000    
 C   -2.850300      0.8615000     -2.7500000E-02
 H    2.769100       2.092100     -0.6683000    
 H    4.293600       1.277300      -1.056900    
 H    2.831700      0.8264000      -1.892100    
 H    3.631500     -0.2772000       2.235200    
 H    3.626900       1.423500       1.800600    
 H    4.909400      0.3619000       1.177900    
 H    2.824300      -1.533700      -1.283800    
 H    4.303200      -1.509800     -0.3592000    
 H    2.796200      -2.052500      0.3984000    
 H   -1.616500      0.1812000      -1.621300    
 H  -0.6691000      0.3234000       1.168100    
 H   -3.188300      -1.703400      -1.049100    
 H   -1.499200      -2.219500     -0.9117000    
 H   -1.302100      -1.894300       1.666800    
 H   -3.103200       2.213200       1.353100    


%chk=000152319-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152319

0 1
S -2.587168 -2.305208 0.986579
O 1.633606 0.292554 0.542025
O 0.735597 -0.489733 -1.518752
O -2.647240 1.494100 1.298759
O -4.160905 0.886332 -0.357109
N -0.609242 0.233063 0.250636
C 3.093000 0.090563 0.142474
C 3.416596 0.982658 -1.072464
C 3.832300 0.564228 1.405305
C 3.343311 -1.404768 -0.136241
C -1.852546 0.052066 -0.497857
C 0.608868 -0.029084 -0.349315
C -2.260648 -1.438205 -0.659645
C -3.010492 0.834589 0.119294
H 3.160457 2.035199 -0.856856
H 4.499473 0.929337 -1.288367
H 2.861164 0.652029 -1.964093
H 3.541524 -0.044966 2.278373
H 3.595391 1.620205 1.621526
H 4.923098 0.471079 1.258174
H 2.780289 -1.740493 -1.021343
H 4.421082 -1.568365 -0.319344
H 3.046425 -2.015634 0.734884
H -1.713628 0.441090 -1.528549
H -0.640178 0.675077 1.170691
H -3.209387 -1.507373 -1.214520
H -1.466975 -1.969895 -1.205223
H -1.288368 -2.193046 1.457437
H -3.437804 1.961300 1.680922


