%chk=000030479.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030479

0 1
 S   -3.514400     -0.1985000      0.4588000    
 O   0.9579000       2.024700     -0.2103000    
 N   -1.115000      0.9922000      9.8899998E-02
 N   0.2220000      -1.397900      0.2522000    
 N   -1.166400      -1.351300      0.3755000    
 N   -1.856200       2.169400      3.0800000E-02
 C    2.388100     -0.3652000     -6.8700001E-02
 C   0.8923000     -0.3078000      6.3900001E-02
 C    2.996900      0.4835000       1.050500    
 C    2.788700      0.1935000      -1.437000    
 C    2.844400      -1.821300      6.0899999E-02
 C   0.2501000       1.045200     -3.3300001E-02
 C   -1.764200     -0.2076000      0.2981000    
 C   -3.924100      -1.259200     -0.9405000    
 H    2.928700       1.561600      0.8830000    
 H    4.066900      0.2655000       1.154700    
 H    2.526100      0.2677000       2.017000    
 H    2.708200       1.280700      -1.517100    
 H    2.178400     -0.2421000      -2.237000    
 H    3.835800     -4.7600001E-02  -1.656800    
 H    3.934600      -1.897700     -2.7100001E-02
 H    2.569600      -2.250700       1.031800    
 H    2.413300      -2.455200     -0.7231000    
 H   -1.491200       2.798500      0.7451000    
 H   -1.650700       2.604200     -0.8680000    
 H   -3.496300     -0.8578000      -1.863400    
 H   -5.010500      -1.305700      -1.052900    
 H   -3.550100      -2.274000     -0.7803000    


%chk=000030479-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000030479

0 1
S -3.641972 0.200229 -0.356572
O 0.953458 2.286157 -0.009054
N -1.102749 1.197320 -0.176846
N 0.136067 -1.282019 -0.257972
N -1.268865 -1.188402 -0.320631
N -1.804058 2.438177 -0.139290
C 2.428248 -0.371835 -0.095761
C 0.905308 -0.183887 -0.157348
C 2.962305 0.225002 1.243165
C 3.085033 0.372433 -1.299473
C 2.795376 -1.874467 -0.165072
C 0.335499 1.185902 -0.105890
C -1.840438 0.021930 -0.278053
C -4.087928 -1.632205 -0.475454
H 2.740111 1.301959 1.320674
H 4.058713 0.089986 1.287151
H 2.519790 -0.297857 2.111164
H 2.872378 1.453773 -1.269825
H 2.724984 -0.039147 -2.260500
H 4.180796 0.230752 -1.257902
H 3.895486 -1.977132 -0.117369
H 2.348354 -2.438740 0.670932
H 2.434877 -2.335899 -1.100105
H -1.602786 2.922897 0.747905
H -1.520327 3.020983 -0.940771
H -3.634511 -2.066896 -1.376038
H -5.187652 -1.650975 -0.530257
H -3.722596 -2.160939 0.414895


