. 2021 May 19;12(20):4902–4909. doi: 10.1021/acs.jpclett.1c01142

Table 2. Energies (in cm^–1) of the Seven Stationary Points, Relative to the Global Minimum (GM), Using Indicated Methods^a.

stationary points	LCCSD(T)	V_LL→CC (1935)	V_LL→CC (430)	V_LL
GM	0	0	0	0
TS(H)-SP	1234	1218	1219	745
TS(T)-I	123^b	165	154	160
TS(T)-II	488^b	477	481	399
TS(T)-III	581^b	627	623	541
TS(HT)-I	1434^b	1299	1306	820
TS(HT)-II	1645^b	1359	1374	864

The numbers in parentheses for the two Δ-ML PESs refer to the size of the training data set.

LCCSD(T)-F12 calculations at MP2-optimized geometries.

Table 2. Energies (in cm–1) of the Seven Stationary Points, Relative to the Global Minimum (GM), Using Indicated Methodsa.