Palavra-chave: VIBRATIONAL FREQUENCIES

METHYL FLUORIDE GENERATOR COORDINATE METHOD GEOMETRICAL PARAMETERS CHEMOMETRIC ANALYSIS BCL3 MOLYBDENUM OXO-DIPEROXO COMPOUNDS QUANTUM CHEMISTRY ISOTOPICALLY SUBSTITUTED SCALE FACTOR MOLECULAR ORBITALS THEORETICAL CALCULATIONS METHANE FORCE CONSTANTS INFRARED INTENSITIES MOLECULAR ORBITAL METHODS METHYLENE FLUORIDE DENSITY FUNCTIONAL METHODS SILANE DIHALOETHYLENES XF2 MOLECULES