Table 3:

Deviations from additivity, ($\Delta E_{\text{add}}^{\text{loc}}-\Delta E^{\text{loc}}$), for local CCSD(T) methods^a

compound	($\Delta E_{\text{add}}^{\text{loc}}-\Delta E^{\text{loc}}$)/kJ·mol−1
	DLPNO-CCSD(T)	LCCSD(T)	FNO-CCSD(T)
methane	−0.3	0.1	0.0
ethane	−0.1	0.1	−0.1
propane	−0.1	0.0	0.0
butane	−0.2	−0.1	0.0
isobutane	−0.3	−0.2	0.3
ethylene	0.2	0.1	0.0
propene	0.1	0.1	0.1
(E)-2-butene	−0.1	0.0	0.0
(Z)-2-butene	−0.2	0.0	0.0
isobutene	−0.3	0.2	0.0
1,3-butadiene	−0.3	0.2	0.1
ethyne	1.1	−0.1	−0.1
propyne	1.1	0.0	0.0
1-butyne	0.9	−0.3	0.0
benzene	−1.1	0.2	−0.2
water	0.3	0.2	−0.1
carbon dioxide	0.0	0.0	0.2
methanol	0.4	0.1	0.0
ethanol	0.3	0.0	−0.1
2-propanol	−0.1	−0.1	0.0
dimethyl ether	0.0	0.1	0.1
methanal	0.4	0.2	0.1
ethanal	0.2	0.1	0.0
propanone	−0.2	−0.1	0.0
formic acid	0.2	0.0	0.0
acetic acid	0.0	−0.3	−0.1
N2	1.3	−0.2	0.1
N2O	−2.1	0.5	0.3
ammonia	0.0	0.2	−0.1
acetonitrile	1.0	−0.1	0.0
urea	0.3	−0.3	−0.3
standard deviation	0.7	0.2	0.1

^abased on ΔE^loc given in Table 2