Table 1. Comparison of the normal mode frequencies and IR intensities of methanol obtained with DFT and the ML model within the harmonic oscillator approximation.

#	ω̃ [cm–1]			I [km mol–1]
	BP86	ML	Δω̃	BP86	ML	ΔI
1	331.70	346.94	–15.24	119.94	117.96	1.99
2	1037.82	1030.00	7.82	90.89	81.72	9.16
3	1080.46	1092.09	–11.63	34.31	53.33	–19.02
4	1135.08	1138.21	–3.13	0.35	0.08	0.27
5	1328.95	1320.84	8.11	23.97	44.70	–20.73
6	1420.02	1416.42	3.60	1.74	8.15	–6.41
7	1427.64	1422.59	5.05	5.96	2.31	3.66
8	1449.79	1449.02	0.77	8.63	3.24	5.39
9	2880.76	2892.94	–12.18	74.67	65.10	9.58
10	2930.10	2961.48	–31.38	85.43	67.65	17.78
11	3034.15	3054.08	–19.93	29.45	31.19	–1.75
12	3707.93	3707.73	0.20	21.29	19.89	1.39