Center for Theoretical Chemical Physics Laboratory of molecular Catalysis Innovative material Ref:Bak K.L.et al.J.Chem.Phys.2001,114(15),6548. Distribution of Equilibrium Bond Angle Errors for 19 Small Molecules in a cc-pCVQZ basis from Bak,et.al.op.cit. -HF MBPT(2) CCSD CCSD(T) -5-4-3-2 -1 0 2 1 3 4 Error in Bond Angle(degree) 振华制 2013/10/14 What Theory Can Do 8李 振 华 制 2013/10/14 What Theory Can Do 8 造 Ref: Bak K. L. et al. J. Chem. Phys. 2001, 114(15), 6548