CO adsorption sites on interstellar water ices explored with machine learning potentials - Binding energy distributions and snowline

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Table B.2

Binding energy and ZPVE values obtained at the CCSD(T)-F12/cc-pVDZ level of theory.

Structure	BE	∆ ZPVE	BE+ZPVE + ∆_anh	ZPVE %
CO − W₂−b	999	−358	641	0.641
CO − W₂− a	1483	−567	917	0.618
CO − W₃− a	874	−259	616	0.704
CO − W₃− b	825	−201	624	0.756
CO − W₃− c	352	−118	234	0.665

Average	905	−311	604	0.677

Notes. Then anharmonic (anh) corrections are computed at the CCSD(T)/cc-pVDZ level of theory.

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