INITIAL SLAB CONFIGURATIONS FOR HCl + Au(111) 
             NORMAL INCIDENCE                  
 Z_START 7 Angstrom 
 ZSHIFT  7.33747 Angstrom 
 SEED NUMBER   81001
 SEED NUMBER 2 900789
 NUMBER OF POSCARS CREATED 1000
 BEAM IS SWITCHED ON; Trot .neq. (Tvib == Tnozzle) 
  Tnozzle : 500 K 
 Tvib    : 500 K 
 Trot    : 142.915 K 
 Estream : 1.24 eV
 vstream : 2562.06 m/s 
 width a : 207 m/s 
AVERAGE KINETIC ENERGY IN Z : 1.26982 eV
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EXPECTATION RO-VIBR. ENERGY VALUE 
ANALYTICAL VALUE: 189.741 meV 
NUMERICAL  VALUE: 190.014 meV