Species method Species method E∞HF ΔE∞CCSD(T) ΔECCSDT ΔEHLC ΔErel ΔESO N2 HEAT‑345(Q) 482.94 472.26 −3.14 4.25 −0.48 0.03 HEAT‑345Q 482.94 472.26 −3.14 3.61 −0.48 0.03 HEAT‑345QP 482.94 472.26 −3.14 4.08 −0.48 0.03
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