%chk=000108218.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108218

0 1
 S    1.283800     -0.2122000      0.6161000    
 O   -1.919000      -2.103200       1.196500    
 O  -0.9604000      -2.932800     -0.6832000    
 O   -2.771400       1.862200      -1.173200    
 O    2.881400      0.6202000      -1.315400    
 N   -1.930300      0.3707000      0.4045000    
 N    3.795800      0.2908000      0.7997000    
 C   -1.276300     -0.5352000     -0.5065000    
 C   0.1587000     -0.1006000     -0.8148000    
 C   -1.354100      -1.975400     -2.7899999E-02
 C   -2.624700       1.496600     -9.8999999E-03
 C   -3.230900       2.252000       1.142400    
 C    2.786300      0.3042000     -0.1367000    
 C    5.161000      0.6627000      0.5084000    
 H   -1.850100     -0.5065000      -1.442100    
 H   0.1657000      0.9325000      -1.180100    
 H   0.5648000     -0.7391000      -1.607700    
 H   -1.864200      0.1738000       1.399300    
 H   -3.605300       3.218400      0.7936000    
 H   -4.059600       1.674900       1.561500    
 H   -2.479000       2.426700       1.917400    
 H    3.569400      4.6000001E-03   1.747200    
 H   -1.965500      -3.040200       1.483100    
 H    5.280100      0.9472000     -0.5397000    
 H    5.803400     -0.1911000      0.7371000    
 H    5.431100       1.501800       1.154100    


%chk=000108218-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000108218

0 1
S 1.162316 1.003537 0.541652
O -1.115311 -1.908771 1.319283
O -0.069793 -2.471926 -0.678309
O -2.996254 1.737527 -1.141455
O 2.868106 -0.244949 -1.279208
N -2.032532 0.398955 0.485110
N 3.795734 0.399266 0.772458
C -1.171522 -0.277302 -0.491198
C 0.048724 0.576953 -0.920603
C -0.720524 -1.652018 -0.004344
C -2.917830 1.382990 0.076586
C -3.773210 2.004838 1.173650
C 2.775471 0.270336 -0.139414
C 5.164710 -0.058028 0.488707
H -1.762810 -0.428990 -1.418470
H -0.313915 1.517841 -1.359003
H 0.690600 0.034247 -1.638844
H -1.989465 0.083090 1.455238
H -3.545174 3.082706 1.242326
H -4.836962 1.912898 0.895926
H -3.618429 1.544228 2.164416
H 3.596123 0.842000 1.671128
H -0.783173 -2.804879 1.595414
H 5.168301 -0.523319 -0.508813
H 5.492276 -0.807041 1.232283
H 5.875240 0.788813 0.489182


