Conversion of units

  1 bohr           =  0.529177249      angstrom
  1 hartree        =  27.2113961       eV
                   =  219474.63068     cm^-1
                   =  627.50956        kcal/mol
  1 electron mass  =  5.4857990e-4     u ( unified atomic mass unit)
                   =  9.1093897e-31    kg
  1 cal            =  4.184            J  (by definition)
  N_avogadro       =  6.0221367e23     (per mol)
  1 Debye          =  0.393456         a.u.
  

  H     1.007825
  D     2.0140
  He    4.0026
  C    12
  N    14.00307
  O    15.99491
  F    18.9984
  S    31.97207
  Cl   34.96885

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