Table 2.

Optimized N-H$\cdots$O hydrogen bonds and carboxylate C−O (Å) bonds in sarcosine crystal at ambient pressure

	Exp. [25]	PBE	revPBE	PBEsol	vdw-DF
N1-H$\cdots$O2 (Å)	2.7604 (14)	2.724	2.733	2.670	2.812
Bond angles (deg)	172.2 (13)	171.02	171.34	171.85	170.84
N2-H$\cdots$O3 (Å)	2.7879	2.762	2.763	2.710	2.854
Bond angles (deg)	158.6 (13)	156.18	154.38	155.65	155.12
C-O3(Å)	1.2660	1.282	1.284	1.281	1.257
C-O2(Å)	1.2353	1.251	1.253	1.248	1.285

Atom numbering is according to Fig. 1