CCSD(T)/CBS total atomization energies at the bottom of the well (TAEe) from W1-F12 theory in kcal/mol from Theor Chem Acc (2014) 133:1483 (a) (b) Ala 1266.71 1265.10 Arg 2538.02 2535.18 Asn 1721.57 1719.17 Asp 1652.54 1649.92 Cys 1326.15 1323.59 Gln 2015.61 2012.99 Glu 1948.24 1945.40 Gly 969.70 968.30 His 2103.97 2101.34 Ile 2152.44 2150.18 Leu 2152.76 2150.51 Lys 2318.82 2316.37 Met 1914.07 1911.05 Phe 2517.62 2514.72 Pro 1722.20 1720.10 Ser 1366.84 1364.80 Thr 1666.01 1663.77 Val 1857.80 1855.76 (a) All-electron, nonrelativistic (b) All-electron, relativistic, DBOC-inclusive