Abstract
It is demonstrated that standard basis sets including a single set of diffuse functions are not adequate for calculations on small anions. A new set of diffuse sp-functions is presented and in combination with a simple additivity scheme, they provide very accurate ΔH acid values for the first- and second-row non-metal hydrides. A mean absolute deviation of ca. 2 kJ/mol is observed with the greatest error being 4 kJ/mol.
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