%chk=000122586.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122586

0 1
 S  -0.2709000     -0.8621000     -3.7000000E-02
 O  -0.1405000      -1.924800      -1.026900    
 O   0.1971000      -1.107000       1.321800    
 O    3.795200       1.656600     -0.1618000    
 O    5.189300     -6.1299998E-02  0.3250000    
 N   0.4925000      0.5494000     -0.6640000    
 N    2.461500       1.916100     -0.4535000    
 N   -5.998600      0.7205000      0.1782000    
 C   -1.952600     -0.3972000      2.6300000E-02
 C   -2.781100     -0.6259000      -1.072400    
 C   -2.467700      0.2030000       1.175300    
 C    1.897500      0.7272000     -0.4136000    
 C   -4.639700      0.3458000      0.1267000    
 C   -4.124600     -0.2543000      -1.022200    
 C   -3.811300      0.5744000       1.225500    
 C    2.757800     -0.3165000     -0.1151000    
 C    3.959100      0.3238000      3.7700001E-02
 C    5.437100      -1.467600      0.5498000    
 H  -5.9599999E-02   1.403700     -0.8091000    
 H   -2.400400      -1.085200      -1.980300    
 H   -1.838300      0.3960000       2.039400    
 H   -4.759700     -0.4362000      -1.885400    
 H   -4.200700       1.042500       2.126000    
 H    2.578600      -1.377800     -2.9300001E-02
 H   -6.599400      0.5568000     -0.6187000    
 H   -6.372000       1.157300       1.010400    
 H    4.853100      -1.821400       1.405200    
 H    6.500600      -1.588700      0.7727000    
 H    5.195800      -2.041700     -0.3502000    


%chk=000122586-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122586

0 1
S -0.343634 -0.543414 1.149832
O 0.216383 -1.936347 0.524952
O -0.275844 -0.276016 2.756178
O 4.080028 1.551899 0.317131
O 5.366883 -0.293986 -0.220046
N 0.576705 0.832692 0.088694
N 2.663536 1.936401 0.491186
N -6.017516 0.480316 -0.675794
C -2.078716 -0.209705 0.572486
C -2.441231 -0.565812 -0.740775
C -2.983661 0.362938 1.486189
C 1.977444 0.799985 0.150906
C -4.713441 0.251732 -0.260868
C -3.762224 -0.333041 -1.155331
C -4.304405 0.591501 1.066019
C 2.829486 -0.308286 -0.187601
C 4.110648 0.206224 -0.058357
C 5.422693 -1.727178 -0.578339
H 0.191532 1.748063 0.392702
H -1.710757 -1.020697 -1.416545
H -2.659107 0.604670 2.503722
H -4.066629 -0.602187 -2.173037
H -5.026659 1.032108 1.762439
H 2.503795 -1.305874 -0.462346
H -6.318334 0.234908 -1.614961
H -6.701659 0.892748 -0.047587
H 4.939026 -2.337045 0.206050
H 6.493353 -1.962613 -0.643317
H 4.930406 -1.898585 -1.553079


