%chk=000041226.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041226

0 1
 S    4.093400      3.0099999E-02 -0.8467000    
 O   -2.460600      -1.486800     -0.4417000    
 O    2.190700       2.229200     -0.4637000    
 O   -4.748300      -1.758900     -0.2373000    
 N   -3.745900      0.2862000      0.2558000    
 C   -2.445200      0.7143000      0.2227000    
 C   -1.690900     -0.3601000     -0.1970000    
 C   0.2674000      0.9676000     -3.9600000E-02
 C  -0.3235000     -0.2646000     -0.3389000    
 C   -1.898800       1.940600      0.5258000    
 C  -0.5138000       2.060600      0.3891000    
 C    1.707400       1.125100     -0.1730000    
 C    2.658700     -8.9999996E-03  2.8100001E-02
 C   -3.761100      -1.040300     -0.1440000    
 C    2.487700      -1.059400      0.8369000    
 C    3.617100      -1.923900      0.7516000    
 C    4.565600      -1.450700     -0.1281000    
 H   0.2364000      -1.117000     -0.7052000    
 H   -2.504700       2.775700      0.8558000    
 H  -4.7899999E-02   3.014700      0.6249000    
 H   -4.544200      0.8472000      0.5257000    
 H    1.640500      -1.240300       1.485400    
 H    3.730200      -2.843700       1.310600    
 H    5.513800      -1.903200     -0.3822000    


%chk=000041226-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041226

0 1
S 4.363925 0.198361 -0.656499
O -2.613207 -1.470191 -0.373550
O 2.184013 2.293703 -0.538559
O -4.966957 -1.755620 -0.170698
N -3.859136 0.317812 0.295945
C -2.525740 0.757708 0.261522
C -1.758372 -0.362095 -0.151783
C 0.261580 0.930182 -0.040176
C -0.375767 -0.316106 -0.311886
C -1.908704 1.994392 0.521678
C -0.508806 2.060619 0.356958
C 1.740415 1.139942 -0.223492
C 2.668969 0.011282 -0.032471
C -3.969486 -1.031905 -0.081861
C 2.531072 -1.194561 0.664742
C 3.725947 -1.986979 0.697065
C 4.788777 -1.394777 0.024421
H 0.178705 -1.183488 -0.676190
H -2.481453 2.872173 0.833969
H 0.023876 3.001891 0.522365
H -4.678902 0.867090 0.545169
H 1.607457 -1.483027 1.170691
H 3.797801 -2.955253 1.197250
H 5.797991 -1.777753 -0.119611


