%chk=000018794.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018794

0 1
 S   -1.602900       1.011500      0.2099000    
 S    4.872400     -0.5448000      7.5599998E-02
 S    2.035800      -1.135100     -0.5849000    
 O   -1.696700       2.240600     -0.5680000    
 O   -1.257000       1.082300       1.624400    
 O    5.563400      0.2475000       1.088200    
 O    4.917900      -2.001800      0.1544000    
 N  -0.5366000     -7.0799999E-02 -0.5943000    
 N    1.374100       1.219100      0.1801000    
 N    2.743600       1.138000      0.3630000    
 N    5.437900     -6.8700001E-02  -1.467300    
 C   -3.118000      0.1543000      7.6600000E-02
 C   0.9031000      0.1046000     -0.3041000    
 C   -3.499700     -0.7464000       1.071000    
 C   -3.946800      0.3698000      -1.024500    
 C    3.214900     -3.6699999E-02  3.1999999E-03
 C   -4.709900      -1.431800      0.9643000    
 C   -5.157000     -0.3155000      -1.131100    
 C   -5.538500      -1.216200     -0.1367000    
 H  -0.8321000      -1.030500     -0.8102000    
 H   -2.866800     -0.9356000       1.933500    
 H   -3.666500       1.061500      -1.813800    
 H   -5.006200      -2.134600       1.737500    
 H   -5.801700     -0.1492000      -1.989200    
 H   -6.480500      -1.750400     -0.2203000    
 H    6.446600      0.1082000      -1.556500    
 H    5.052700     -0.5688000      -2.278900    


%chk=000018794-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018794

0 1
S -1.689000 1.156166 0.430982
S 5.105013 -0.688441 -0.223176
S 2.004842 -1.508677 -0.447156
O -1.587618 2.321938 -0.679866
O -1.524142 1.448412 2.009237
O 5.920004 -0.035039 1.013759
O 5.154708 -2.276944 -0.562611
N -0.501216 -0.263273 -0.062005
N 1.461654 1.040141 0.326798
N 2.854515 0.932922 0.294928
N 5.485287 0.160876 -1.795306
C -3.272241 0.158297 0.141761
C 0.852834 -0.110564 -0.021647
C -3.811583 -0.542386 1.232971
C -3.855505 0.220705 -1.134352
C 3.276964 -0.255349 -0.063738
C -5.016820 -1.250095 1.012836
C -5.059934 -0.495552 -1.329206
C -5.631476 -1.228790 -0.261950
H -0.960935 -1.137566 -0.325706
H -3.325603 -0.516214 2.213791
H -3.402190 0.820531 -1.930308
H -5.473456 -1.808355 1.836082
H -5.549653 -0.473191 -2.307749
H -6.566170 -1.776665 -0.421055
H 5.806332 1.124713 -1.612110
H 6.150892 -0.417099 -2.333302


