INITIAL SLAB CONFIGURATIONS FOR HCl + Au(111) 
             NORMAL INCIDENCE                  
 Z_START 7 Angstrom 
 ZSHIFT  7.33747 Angstrom 
 SEED NUMBER   102201
 SEED NUMBER 2 1120789
 NUMBER OF POSCARS CREATED 1000
 BEAM IS SWITCHED ON; Trot .neq. (Tvib == Tnozzle) 
  Tnozzle : 740 K 
 Tvib    : 740 K 
 Trot    : 298.443 K 
 Estream : 1.73 eV
 vstream : 3026.23 m/s 
 width a : 323 m/s 
AVERAGE KINETIC ENERGY IN Z : 1.80757 eV
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EXPECTATION RO-VIBR. ENERGY VALUE 
ANALYTICAL VALUE: 204.708 meV 
NUMERICAL  VALUE: 203.212 meV