D=n.n H=n.n I=n.n

Reference data scalar quantities, such as dipole moment, heat of formation, and ionization potential are defined using these keywords.

Units:  Dipole: Debye, Heats of formation: Kcal/mol, I.P.: electron volts.

Example using water

SYMMETRY
Water
 I=12.62 D=1.85 H=-57.8 HR=JANAF86 DR=NLM1967 IR=TBBB1970
  H         0.00000000 +0    0.0000000 +0    0.0000000 +0                      
  O         0.94908848 +1    0.0000000 +0    0.0000000 +0    1    0    0      
  H         0.94908848 +0  107.5378048 +1    0.0000000 +0    2    1    0      
 
   2  1    3