New ab Initio Potential Energy Surfaces for the Renner-Teller Coupled
and
States of CH2
Figure 4
The bending potential energy curves for the four singlet states (, , , and ) of CH2 calculated at the icMRCI(6e, 7o)+Q/AVQZ level. (The state, which lies between the and state, is not shown.) = = 2.01 bohrs. The zero energy is taken at the CH2 () minimum.