Atomization energies were computed for 73 molecules, many of them chosen from the
gaussian-2 and G2/97 test sets. A composite theoretical approach was adopted which
incorporated estimated complete basis set binding energies based on frozen core coupled
cluster theory with a quasiperturbative treatment of triple excitations and three corrections:(1)
a coupled cluster core/valence correction;(2) a configuration interaction scalar relativistic
correction; and (3) an atomic spin-orbital correction. A fourth correction, corresponding to …