%chk=000036248.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036248

0 1
 S    1.087300       1.868300     -5.4000001E-02
 O   -3.396700      4.0800001E-02  -1.037300    
 N   0.7986000     -0.6878000      0.2014000    
 N   -1.164100      0.5849000      0.5449000    
 N   -2.020900     -0.4628000      0.7814000    
 C    2.122000     -0.4458000     -0.1123000    
 C   0.1591000      0.4592000      0.2586000    
 C    2.467400      0.8777000     -0.2884000    
 C    3.036600      -1.598700     -0.2305000    
 C   -3.089300     -0.6357000     -6.3699998E-02
 H    3.431100       1.300400     -0.5351000    
 H    2.559100      -2.413500     -0.7840000    
 H    3.957500      -1.329700     -0.7577000    
 H    3.306900      -1.970600      0.7627000    
 H   -1.599000       1.501800      0.5953000    
 H   -1.815600      -1.048400       1.583200    
 H   -3.688600      -1.508000      0.2451000    


%chk=000036248-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036248

0 1
S 1.159226 2.016712 -0.275713
O -3.948679 0.522992 0.352175
N 0.791529 -0.625065 0.062168
N -1.236658 0.589126 0.098915
N -1.932657 -0.614823 0.295474
C 2.182326 -0.429609 -0.082016
C 0.126684 0.526506 -0.013093
C 2.579274 0.880654 -0.267881
C 3.092523 -1.627351 -0.022140
C -3.300164 -0.566937 0.415341
H 3.580448 1.282636 -0.401410
H 2.826126 -2.355235 -0.809811
H 4.146661 -1.335493 -0.156563
H 2.991917 -2.141989 0.950714
H -1.834839 1.417111 0.058352
H -1.322440 -1.439282 0.336429
H -3.749877 -1.567852 0.568659


