%chk=000042385.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042385

0 1
 S   -1.397800      -1.203900      0.3913000    
 S   -3.346600      -1.784400      0.4617000    
 O    4.332500     -0.4740000      0.4516000    
 N  -0.8694000       1.284900     -0.3494000    
 N   -3.122800      0.7466000     -0.2939000    
 N   -5.325400     -0.1210000     -0.1419000    
 C   0.4420000      0.8428000     -0.1482000    
 C    3.056700     -4.2300001E-02  0.2549000    
 C    1.153000      0.2661000      -1.200500    
 C    1.038100      0.9770000       1.105700    
 C    2.460300     -0.1766000     -0.9989000    
 C    2.345600      0.5344000       1.307300    
 C   -1.801300      0.4160000     -0.1268000    
 C   -3.966500     -0.2117000     -4.5699999E-02
 C    5.001500      -1.053800     -0.6673000    
 H   0.6977000      0.1594000      -2.181800    
 H   0.4937000       1.427100       1.931900    
 H    2.954900     -0.6145000      -1.859200    
 H    2.804800      0.6420000       2.286100    
 H    5.131200     -0.3292000      -1.478400    
 H    4.503100      -1.969200      -1.004100    
 H    6.003500      -1.340600     -0.3317000    
 H   -5.922800     -0.9132000      6.7599997E-02
 H   -5.776900      0.7414000     -0.4263000    


%chk=000042385-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042385

0 1
S -1.708688 -1.705371 -0.712725
S -3.963462 -2.020208 -0.712397
O 4.617387 -0.096082 0.299501
N -0.933314 0.932492 0.295177
N -3.263548 0.590180 -0.000328
N -5.558943 0.136981 -0.117330
C 0.437028 0.621574 0.223417
C 3.231428 0.099912 0.205217
C 1.018558 -0.180686 -0.797373
C 1.289811 1.190473 1.213866
C 2.406102 -0.443349 -0.809120
C 2.665778 0.924709 1.213928
C -1.944213 0.221603 -0.046157
C -4.249036 -0.242206 -0.234389
C 5.250709 -0.941013 -0.716478
H 0.399840 -0.555482 -1.621995
H 0.841083 1.830399 1.979126
H 2.824130 -1.055955 -1.613117
H 3.326412 1.344904 1.977921
H 5.135334 -0.507026 -1.728649
H 4.834748 -1.966979 -0.701279
H 6.315802 -0.968048 -0.444131
H -6.323758 -0.493217 -0.344288
H -5.760088 1.085695 0.195602


