%chk=000011426.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011426

0 1
 S  -0.6646000      0.3521000      0.7890000    
 S   0.6677000      0.3561000     -0.7746000    
 O   -3.644500      -1.043100     -4.2300001E-02
 O    3.644600      -1.043800      4.2100001E-02
 O   -4.996700      0.7810000      0.3589000    
 O    4.993800      0.7808000     -0.3676000    
 N   -3.499500       2.168800      -1.479100    
 N    3.503600       2.170000       1.475100    
 C   -2.858000       1.057400     -0.7723000    
 C    2.859800       1.057100      0.7727000    
 C   -1.861100       1.612400      0.2461000    
 C    1.858000       1.610000     -0.2420000    
 C   -3.973400      0.2818000     -9.2299998E-02
 C    3.972900      0.2815000      8.8799998E-02
 C   -4.600600      -1.892500      0.5998000    
 C    4.598600      -1.893200     -0.6031000    
 C   -4.091100      -3.317700      0.5721000    
 C    4.090300      -3.318900     -0.5714000    
 H   -2.379800      0.4280000      -1.531000    
 H    2.386100      0.4286000       1.534900    
 H   -2.386400       1.966300       1.141200    
 H   -1.305000       2.469900     -0.1502000    
 H    1.305400       2.468700      0.1566000    
 H    2.380800       1.965200      -1.138100    
 H   -4.115100       1.802800      -2.204900    
 H   -2.791700       2.721000      -1.962300    
 H    4.123000       1.805400       2.198400    
 H    2.797600       2.722000       1.961100    
 H   -5.557600      -1.831100      6.9899999E-02
 H   -4.737600      -1.568600       1.637500    
 H    5.557900      -1.830400     -7.7399999E-02
 H    4.730700      -1.570500      -1.641800    
 H   -3.931900      -3.650100     -0.4590000    
 H   -3.124900      -3.391200       1.082300    
 H   -4.799100      -3.995800       1.056700    
 H    3.935900      -3.650000      0.4609000    
 H    3.121900      -3.393600      -1.077200    
 H    4.796600      -3.997000      -1.058100    


%chk=000011426-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000011426

0 1
S -0.515885 0.257552 1.014614
S 0.516179 0.257369 -1.012588
O -3.804845 -0.962192 -0.753801
O 3.805537 -0.963431 0.753502
O -4.221976 -0.052913 1.354756
O 4.222082 -0.053207 -1.354763
N -3.769030 2.387294 -0.518420
N 3.770248 2.386434 0.519329
C -2.880421 1.230884 -0.288562
C 2.881484 1.230137 0.289680
C -1.799071 1.623831 0.731942
C 1.799558 1.623416 -0.730132
C -3.679312 0.017478 0.224193
C 3.680011 0.016828 -0.223894
C -4.604322 -2.173970 -0.380831
C 4.604334 -2.175346 0.379520
C -4.567852 -3.111501 -1.582798
C 4.567280 -3.113894 1.580675
H -2.396775 0.963897 -1.243169
H 2.398359 0.962876 1.244474
H -2.238971 1.784846 1.734181
H -1.287995 2.538899 0.397274
H 1.288767 2.538451 -0.394911
H 2.238972 1.784770 -1.732530
H -4.373386 2.612649 0.278868
H -4.272307 2.371494 -1.409558
H 4.374218 2.611943 -0.278201
H 4.273902 2.370539 1.410246
H -5.628596 -1.847313 -0.124350
H -4.148269 -2.619201 0.521453
H 5.628806 -1.849056 0.123362
H 4.148055 -2.619537 -0.523163
H -5.013233 -2.632942 -2.471813
H -3.530520 -3.398309 -1.825117
H -5.140398 -4.030085 -1.358684
H 5.012888 -2.636361 2.470128
H 3.529772 -3.400318 1.822690
H 5.139312 -4.032612 1.355797


