Fig. 1
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Potential energy diagram for the 3A′ (red) and 3A′′ (black) electronic states of the CPN system. Energies are given in kJ mol−1 relative to the C+PN limit and are ZPE corrected. The MRCI-F12 energies are given in boldface, CCSD(T)-F12 results are given in italics and M06-2X ones are given under parenthesis. Atoms are coloured as: carbon (grey); phosphorus (orange); nitrogen (blue).
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