%chk=000114287.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114287

1 1
 S    1.419400       2.207300      3.6300000E-02
 O   -3.532700      0.5944000     -0.1754000    
 N    1.910900     -0.2431000     -0.1749000    
 C   0.5365000     -0.1672000     -0.1870000    
 C   6.8899997E-02   1.136500     -7.7500001E-02
 C    2.530300      0.9117000     -6.3900001E-02
 C    2.633500      -1.491000     -0.2771000    
 C  -0.3537000      -1.245100     -0.2949000    
 C   -1.724900     -0.9709000     -0.2895000    
 C   -1.304700       1.416000     -7.1500003E-02
 C   -2.191400      0.3387000     -0.1794000    
 C    3.987600       1.114200     -2.4599999E-02
 C    2.890300      -2.094100       1.090800    
 C   -2.686000      -2.110000     -0.4033000    
 C   -4.183900      0.6026000       1.091800    
 H    2.089200      -2.199600     -0.9099000    
 H    3.587200      -1.336000     -0.7946000    
 H  -8.2999999E-03  -2.271000     -0.3700000    
 H   -1.669500       2.435100      1.3400000E-02
 H    4.451300      0.5134000      0.7629000    
 H    4.441100      0.8411000     -0.9827000    
 H    4.252000       2.158800      0.1727000    
 H    3.467200      -1.416900       1.727300    
 H    3.448600      -3.030400      0.9949000    
 H    1.949700      -2.310500       1.607200    
 H   -3.078700      -2.374600      0.5833000    
 H   -3.520100      -1.859900      -1.067400    
 H   -2.205000      -2.998800     -0.8266000    
 H   -5.253400      0.7587000      0.9261000    
 H   -3.803700       1.422600       1.709300    
 H   -4.047500     -0.3501000       1.612200    


%chk=000114287-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114287

1 1
S 1.269645 2.207624 0.512333
O -3.618431 0.012611 0.376027
N 1.949389 -0.230495 -0.144342
C 0.533197 -0.293623 -0.032709
C -0.033739 0.957441 0.317958
C 2.497613 0.981727 0.106895
C 2.766785 -1.446381 -0.462002
C -0.302291 -1.418190 -0.241855
C -1.691994 -1.289054 -0.099240
C -1.417516 1.131638 0.472601
C -2.241085 -0.001950 0.261607
C 3.954038 1.310811 0.049024
C 2.998889 -2.327028 0.781037
C -2.626979 -2.454867 -0.312783
C -4.295568 1.272623 0.739941
H 2.231670 -1.997233 -1.253666
H 3.723177 -1.108196 -0.890519
H 0.114996 -2.391927 -0.513980
H -1.839917 2.102067 0.741564
H 4.552074 0.629405 0.681004
H 4.341604 1.243254 -0.985568
H 4.135014 2.337905 0.401658
H 3.564663 -1.788473 1.560516
H 3.584780 -3.215392 0.489149
H 2.049178 -2.674006 1.221055
H -3.213941 -2.661369 0.600252
H -3.364355 -2.227170 -1.103176
H -2.078380 -3.368316 -0.593639
H -5.363307 1.018288 0.768576
H -4.113927 2.049245 -0.025468
H -3.965082 1.620932 1.735750


