. 2020 Oct 29;7(Pt 6):1199–1215. doi: 10.1107/S2052252520013603

Table 4. Average standard deviations for bond lengths to hydrogen (×10⁻⁴ Å) and hydrogen U _ij (×10⁻⁴ Å²) for various electron density partitions.

B – Becke, H – Hirshfeld, IH – iterative Hirshfeld, IS – iterative stockholder, MBIS – minimal basis iterative stockholder) taken from B3LYP/cc-pVTZ refinements with surrounding charges and dipoles. Statistics for SPAnPS based on group 1 hydrogen atoms

	Molecule	B	H	HI	IS	MBIS
〈σ_bonds〉	Urea	17	27	43	30	30
	OXZDH	27	54	86	54	54
	SPAnPS	26	35	36	33	32

〈σ_{U_ij}〉	Urea	10	15	23	16	15
	OXADH	16	27	43	26	25
	SPAnPS	20	25	26	23	22

Table 4. Average standard deviations for bond lengths to hydrogen (×10−4 Å) and hydrogen U ij (×10−4 Å2) for various electron density partitions.

Table 4. Average standard deviations for bond lengths to hydrogen (×10⁻⁴ Å) and hydrogen U _ij (×10⁻⁴ Å²) for various electron density partitions.