%chk=000001986.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001986

0 1
 S   -3.041300      0.1096000     -8.4899999E-02
 S  -0.3004000       1.256100     -5.5100001E-02
 O   -3.280400       1.410600     -0.7138000    
 O   -3.597600      -1.101900     -0.6884000    
 O    3.627700      -1.207600      4.7899999E-02
 N    2.273000      0.7117000     -3.3000000E-03
 N  -0.6907000      -1.276300     -2.3100000E-02
 N   -3.635700      0.2114000       1.531300    
 N   0.6830000      -1.109300     -1.5000000E-03
 C   -1.321900     -0.1220000     -5.1899999E-02
 C    1.043800      0.1727000     -1.5100000E-02
 C    3.529400      1.0600000E-02  2.7700000E-02
 C    4.711100      0.9345000      3.0300001E-02
 H    2.307400       1.727800     -1.9300001E-02
 H   -3.587200     -0.6498000       2.090900    
 H   -3.360800       1.044600       2.067300    
 H    4.740100       1.495700     -0.9076000    
 H    5.632900      0.3553000      0.1301000    
 H    4.636700       1.631000      0.8699000    


%chk=000001986-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001986

0 1
S -3.263326 0.500829 0.094782
S -0.241102 1.675480 -0.476196
O -3.638649 1.956655 0.688412
O -3.738820 -0.011394 -1.358950
O 3.344175 -0.292155 1.572740
N 2.428651 0.707597 -0.354663
N -0.763096 -0.756818 0.508697
N -3.790693 -0.713243 1.294363
N 0.635013 -0.754051 0.353494
C -1.330955 0.370717 0.124177
C 1.092667 0.400971 -0.138922
C 3.517700 0.310440 0.493990
C 4.878111 0.687680 -0.078034
H 2.657825 1.291654 -1.161897
H -3.474560 -1.664314 1.063097
H -3.630778 -0.400366 2.260678
H 5.214354 -0.099278 -0.778402
H 5.605718 0.744562 0.744694
H 4.866866 1.649733 -0.620660


