%chk=000018444.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018444

0 1
 S    4.268500       1.426600       1.223100    
 O   -3.615700     -0.6329000      0.5221000    
 N   -1.901000      0.8098000     -0.2105000    
 N    2.859900      0.2778000     -0.8727000    
 C  -0.7567000      1.2600000E-02 -0.1675000    
 C   0.4781000      0.5436000     -0.5407000    
 C  -0.8476000      -1.315900      0.2481000    
 C    1.621700     -0.2539000     -0.4981000    
 C   0.2960000      -2.113400      0.2906000    
 C    1.530600      -1.582400     -8.2500003E-02
 C   -3.215200      0.4555000      0.1223000    
 C   -4.168800       1.609300     -6.0899999E-02
 C    3.450200      0.7634000      2.6699999E-02
 H   0.5514000       1.578800     -0.8676000    
 H   -1.766800      -1.797300      0.5513000    
 H   -1.752200       1.766600     -0.5245000    
 H   0.2263000      -3.148200      0.6136000    
 H    2.414600      -2.214000     -4.7499999E-02
 H   -3.886400       2.430800      0.6034000    
 H   -5.186800       1.290800      0.1801000    
 H   -4.141600       1.952400      -1.099000    


%chk=000018444-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018444

0 1
S 5.369156 1.651876 -0.243547
O -3.765508 -0.735187 0.098338
N -1.991804 0.791917 -0.110321
N 2.832678 0.388976 -0.091820
C -0.854021 -0.057323 -0.014908
C 0.420270 0.559319 -0.098996
C -0.949775 -1.466108 0.157599
C 1.596667 -0.226112 -0.010518
C 0.235428 -2.228251 0.242859
C 1.510489 -1.634362 0.161972
C -3.349522 0.448877 -0.052916
C -4.288655 1.648008 -0.183894
C 3.911978 0.925982 -0.158199
H 0.514269 1.643591 -0.231579
H -1.933934 -1.931761 0.221067
H -1.788264 1.786761 -0.235229
H 0.158787 -3.312619 0.375667
H 2.425391 -2.229651 0.228830
H -4.153903 2.355841 0.655331
H -5.325201 1.282501 -0.172028
H -4.116026 2.197726 -1.127908


