Average Errors in Bond Lengths, per Element

Date:Thu Mar 11 09:02:25 2021

Average Unsigned Errors in Predicted Bond Lengths for sets of Elements (Angstroms)

Set	PM7	No. in set	PM6-D3H4	No. in set	PM6	No. in set	PM6-DH2X	No. in set	PM6-DH+	No. in set	RM1	No. in set
H C	0.013	184	0.014	184	0.014	184	0.014	184	0.014	184	0.014	168
H C N	0.017	240	0.017	240	0.017	240	0.017	240	0.017	240	0.017	210
H C O	0.018	263	0.022	263	0.018	263	0.018	263	0.019	263	0.020	223
H C N O	0.021	347	0.025	347	0.022	347	0.022	347	0.023	347	0.022	286
H C P	0.018	203	0.016	203	0.016	203	0.016	203	0.016	203	0.022	184
H C S	0.015	219	0.015	219	0.015	219	0.014	219	0.014	219	0.018	198
H C F	0.017	211	0.018	211	0.018	211	0.018	211	0.018	211	0.015	194
H C Cl	0.013	214	0.014	214	0.013	214	0.013	214	0.013	214	0.019	198
H C Br	0.013	199	0.014	199	0.014	199	0.014	199	0.014	199	0.017	183
H C I	0.015	197	0.019	197	0.019	197	0.019	197	0.018	197	0.023	180