%chk=000082318.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082318

0 1
 S    1.462100     -0.1273000     -2.4000001E-03
 O  -3.0700000E-02  0.5391000      2.4499999E-02
 O    1.649400     -0.8924000       1.216700    
 O    1.623400     -0.7693000      -1.294400    
 N   -3.625400     -0.2440000     -1.5000000E-02
 N    2.522000       1.219700      4.4599999E-02
 C   -1.178300     -0.2994000     -3.8999999E-03
 C   -2.422400      0.5737000      2.9999999E-02
 H   -1.155900     -0.9046000     -0.9174000    
 H   -1.154600     -0.9707000      0.8621000    
 H   -2.422900       1.185100      0.9394000    
 H   -2.411900       1.273000     -0.8139000    
 H   -3.640900     -0.7865000     -0.8778000    
 H   -4.445200      0.3608000     -4.3299999E-02
 H    2.534800       1.824500     -0.7866000    
 H    2.544800       1.757000      0.9207000    


%chk=000082318-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082318

0 1
S 1.584514 -0.200817 0.093086
O -0.100298 0.672776 0.126852
O 1.866836 -0.910201 1.512312
O 1.704465 -0.998906 -1.303069
N -3.762857 -0.031431 -0.246568
N 2.618014 1.227060 0.008162
C -1.264729 -0.215226 -0.024529
C -2.515975 0.718682 -0.101698
H -1.179416 -0.810175 -0.955525
H -1.352743 -0.893110 0.847708
H -2.560171 1.333980 0.813119
H -2.395703 1.406367 -0.956417
H -3.914099 -0.506536 -1.137942
H -4.079886 -0.560413 0.567520
H 2.511085 1.770035 -0.854493
H 2.689263 1.736615 0.894782


