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Z-Matrix for a Diatomic Molecule

Line 1 C specifies that the first atom is a carbon atom. [Pg.73]

Line 2 O 1 R specifies that an oxygen atom occurs at a distance R from the first atom (the carbon). [Pg.73]

Line 3 There must be a blank line between the list of atoms and the list of variables. [Pg.73]

See other pages where Z-Matrix for a Diatomic Molecule is mentioned: [Pg.73] [Pg.73]

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A Diatomic Molecule

Matrix for

Z-matrix