Errors in Dipole

Errors in Dipole (D)

Empirical	Chemical Name	Expt.	PM7	PM6	RM1	PM3	AM1	MNDOD	MNDO
LiH	Lithium hydride	5.70	-3.71	-2.58	-	0.03	-0.24	0.47	0.85
LiCH3	Methyl lithium	5.71	-0.29	-0.04	-	-0.52	-0.06	-0.71	0.00
LiC2H	Lithium acetylide	6.08	0.01	0.34	-	-0.55	0.27	-1.40	-0.39
LiC2H3	LiCH=CH2	5.98	-0.47	-0.11	-	-1.06	0.26	-2.61	-0.01
LiC2H5	Ethyl lithium	5.71	-0.23	0.03	-	-0.46	0.17	-1.15	0.24
C3H4	Cyclopropene	0.45	-0.28	-0.27	-0.08	-0.06	-0.09	0.03	0.03
C3H4	Propyne	0.78	0.35	0.44	-0.31	-0.42	-0.38	-0.66	-0.66
C3H6	Propene	0.37	0.21	0.26	-0.09	-0.14	-0.14	-0.33	-0.33
C3H8	Propane	0.08	-0.03	-0.02	-0.06	-0.08	-0.08	-0.08	-0.08
LiC3H7	Isopropyl lithium	5.92	-0.60	-0.32	-	-0.46	0.10	-1.42	0.15
C4H6	Bicyclobutane	0.68	-0.37	-0.35	-0.28	-0.25	-0.26	-0.27	-0.27
C4H6	Cyclobutene	0.13	0.29	0.25	0.02	0.02	0.04	-0.05	-0.05
LiC4H9	t-Butyl lithium	6.33	-1.00	-0.68	-	-0.23	0.21	-0.84	0.61
C5H6	Cyclopentadiene	0.42	0.38	0.30	0.07	0.11	0.11	-0.24	-0.24
C5H8	Cyclopentene	0.20	0.26	0.22	-0.04	-0.05	-0.03	-0.15	-0.15
BeC5H6	Cyclopentadienylberyllium hydride	2.08	-1.39	-1.63	-	-0.26	-0.53	-0.08	-0.08
C6H6	Fulvene	0.42	0.15	-0.15	0.08	0.24	0.27	0.27	0.27
LiC6H5	Phenyl lithium	6.29	0.20	0.68	-	0.11	0.94	-0.37	0.88
C7H8	Toluene	0.36	0.28	0.32	-0.06	-0.10	-0.10	-0.31	-0.31
NH3	Ammonia	1.47	0.71	0.78	0.09	0.08	0.37	0.28	0.28
LiNH2	LiNH2	4.86	0.20	-0.22	-	-1.16	-0.34	-1.59	-1.23
CNH	Hydrogen cyanide	2.98	-0.21	-0.33	-0.40	-0.28	-0.62	-0.48	-0.48
CNH5	Methylamine	1.31	0.70	0.72	0.17	0.08	0.19	0.17	0.17
LiCN	Lithium isocyanide	9.28	-1.66	-1.43	-	-1.04	-0.87	-2.87	-2.25
C2NH3	Acetonitrile	3.92	0.01	-0.09	-0.72	-0.71	-1.03	-1.29	-1.29
C2NH3	Methyl isocyanide	3.85	-1.03	-0.51	-1.05	-0.16	-1.03	-1.68	-1.68
C2NH5	Ethyleneimine (Azirane)	1.90	0.33	0.26	0.01	-0.20	-0.15	-0.15	-0.15
C2NH7	Dimethylamine	1.03	0.84	0.81	0.36	0.24	0.21	0.15	0.15
C2NH7	Ethylamine	1.22	0.82	0.83	0.34	0.21	0.33	0.30	0.30
C3NH	CH.C.CN	3.72	0.01	-0.20	-0.32	-0.39	-0.68	-0.50	-0.50
C3NH3	Acrylonitrile	3.87	-0.07	-0.24	-0.57	-0.62	-0.87	-0.90	-0.90
C3NH9	Trimethylamine	0.61	1.14	1.08	0.71	0.54	0.41	0.14	0.14
C4NH5	Pyrrole	1.74	0.52	0.43	0.26	0.44	0.21	0.07	0.07
C5NH5	Pyridine	2.22	0.16	0.13	-0.07	-0.28	-0.25	-0.26	-0.26
C6NH7	Aniline	1.53	0.28	0.23	0.10	0.04	0.05	-0.05	-0.05
CN2H2	Diazomethane	1.50	0.11	0.13	-0.01	0.42	-0.17	-0.25	-0.25
CN2H2	N=N-CH2-	1.59	0.44	0.39	0.22	0.28	0.04	-0.04	-0.04
CN2H6	Methylhydrazine	1.66	-0.88	-0.89	-1.10	-1.22	-1.09	-1.47	-1.47
CN3H3	Methyl Azide	2.17	1.02	1.03	0.19	0.13	-0.23	-0.54	-0.54
H2O	Water	1.85	0.28	0.22	0.02	-0.11	0.01	-0.07	-0.07
LiHO	Lithium hydroxide	4.53	0.12	0.30	-	-1.46	-0.89	-1.75	-1.95
CO	Carbon monoxide	0.11	0.64	0.06	-0.03	0.07	-0.05	0.09	0.09
CH2O	Formaldehyde	2.33	0.34	0.49	-0.12	-0.16	-0.01	-0.17	-0.17
CH4O	Methanol	1.70	0.24	0.34	-0.09	-0.22	-0.08	-0.22	-0.22
C2H2O	Ketene	1.42	-0.61	-0.54	-0.35	-0.36	-0.07	-0.38	-0.38
C2H4O	Acetaldehyde	2.69	0.39	0.52	-0.09	-0.15	0.00	-0.31	-0.31
C2H4O	Ethylene oxide	1.89	-0.02	0.40	-0.06	-0.12	0.02	0.03	0.03
C2H6O	Dimethyl ether	1.30	0.32	0.53	0.12	-0.05	0.13	-0.03	-0.03
C2H6O	Ethanol	1.69	0.12	0.22	-0.17	-0.24	-0.14	-0.29	-0.29
C3H2O	Propynal	2.47	0.48	0.67	0.25	0.15	0.34	0.38	0.38
C3H4O	Acrolein	3.12	-0.42	-0.25	-0.72	-0.76	-0.59	-0.66	-0.66
C3H6O	Acetone	2.88	0.48	0.64	0.01	-0.10	0.04	-0.36	-0.36
C4H4O	Furan	0.66	-0.53	-0.28	-0.22	-0.45	-0.17	-0.24	-0.24
C4H10O	Diethyl ether	1.15	0.14	0.31	0.03	0.00	0.10	-0.06	-0.06
C6H6O	Phenol	1.45	-0.14	-0.09	-0.23	-0.31	-0.22	-0.29	-0.29
C7H8O	Anisole	1.38	0.07	0.24	-0.15	-0.30	-0.13	-0.31	-0.31
C3NH7O	Dimethylformamide	3.82	0.58	0.69	-0.28	-0.49	-0.27	-0.77	-0.77
N2O	Nitrous oxide	0.17	0.35	0.28	0.11	0.10	0.47	0.59	0.59
CH2O2	Formic acid	1.41	-0.02	0.03	-0.02	0.10	0.07	0.08	0.08
C2H4O2	Acetic acid	1.74	0.25	0.33	0.05	0.09	0.15	-0.06	-0.06
C2H4O2	Methyl formate	1.77	-0.11	-0.07	-0.32	-0.18	-0.26	-0.14	-0.14
C3H6O2	Methyl acetate	1.72	0.25	0.25	0.03	0.11	0.05	0.03	0.03
C3H6O2	Propionic acid	1.75	0.09	0.22	-0.03	0.05	0.10	-0.10	-0.10
NHO2	Nitrous acid, cis	1.42	0.24	0.27	0.16	-0.15	0.02	0.14	0.14
NHO2	Nitrous acid, trans	1.86	-0.32	-0.05	0.15	0.23	0.45	0.42	0.42
O3	Ozone	0.53	1.87	1.08	0.59	1.18	0.67	0.65	0.65
NHO3	Nitric acid	2.17	-0.27	-0.29	0.20	0.16	0.40	0.61	0.61
HF	Hydrogen fluoride	1.83	-0.38	-0.39	-0.03	-0.43	-0.09	0.16	0.16
LiF	Lithium fluoride	6.28	-0.11	-1.00	-	-0.96	-0.95	-1.01	-1.34
CH3F	Fluoromethane	1.86	-0.06	-0.21	-0.17	-0.42	-0.24	-0.10	-0.10
C2HF	Fluoroacetylene	0.70	-0.03	-0.18	0.41	0.41	0.36	0.88	0.88
C2H3F	Fluoroethylene	1.43	0.06	-0.04	0.05	-0.06	-0.04	0.27	0.27
C2H5F	Fluoroethane	1.96	-0.04	-0.14	-0.20	-0.38	-0.27	-0.09	-0.09
C6H5F	Fluorobenzene	1.66	0.03	-0.03	0.03	-0.06	-0.09	0.30	0.30
CNF	Cyanogen fluoride	2.17	-0.28	-0.25	-0.83	-0.54	-0.96	-1.28	-1.28
HOF	Hypofluorous acid	2.23	-0.75	-0.61	-0.58	-0.55	-0.63	-0.42	-0.42
CHOF	HCOF	2.02	0.57	0.58	0.52	0.44	0.56	0.48	0.48
NOF	Nitrosyl fluoride	1.81	-0.64	-0.67	-1.32	-1.55	-1.43	-1.30	-1.30
NO2F	Fluorine nitrite	0.47	-0.24	0.02	-0.10	0.42	0.35	0.19	0.19
CH2F2	Difluoromethane	1.96	0.23	0.05	0.18	-0.14	0.08	0.25	0.25
C2H4F2	1,1-Difluoroethane	2.30	0.23	0.13	0.06	-0.18	-0.03	0.20	0.20
N2F2	cis-Difluorodiazene	0.16	0.77	0.90	0.25	0.48	0.50	-0.14	-0.14
OF2	Difluorine oxide	0.30	-0.16	0.31	-0.11	0.08	-0.19	0.02	0.02
COF2	Carbonyl fluoride	0.95	-0.20	-0.08	0.04	0.13	0.33	-0.13	-0.13
CHF3	Trifluoromethane	1.65	0.52	0.31	0.64	0.23	0.44	0.58	0.58
C2HF3	Trifluoroethylene	1.30	0.05	-0.09	0.31	0.19	0.14	0.52	0.52
C2H3F3	1,1,1-Trifluoroethane	2.32	0.55	0.47	0.42	0.08	0.27	0.55	0.55
NF3	Nitrogen trifluoride	0.24	0.21	0.44	-0.09	0.02	-0.20	-0.04	-0.04
C2NF3	Trifluoroacetonitrile	1.26	-0.69	-0.67	-1.11	-0.94	-1.23	-0.90	-0.90
C2HO2F3	Trifluoroacetic acid	2.28	-0.13	-0.33	-0.08	-0.32	-0.41	0.16	0.16
NaH	Sodium hydride	7.00	-3.26	-1.57	-	-3.04	-0.87	-0.79	-0.34
NaLi	Sodium lithium	0.50	-0.50	-0.50	-	-0.50	-0.50	-0.50	-0.50
NaF	Sodium fluoride	8.12	-0.35	0.37	-	-2.99	-2.18	-0.93	-1.92
AlF	Aluminum fluoride	1.53	0.17	0.41	-	1.76	-0.53	-0.94	-1.22
SiC2H6	Vinylsilane	0.66	-0.13	0.03	-	-0.40	-0.08	0.74	-0.12
SiC2H8	Dimethylsilane	0.75	-0.04	-0.04	-	-0.29	-0.30	0.29	-0.57
SiC2H8	Ethylsilane	0.81	-0.11	-0.17	-	-0.44	-0.44	0.14	-0.71
SiC3H10	Trimethylsilane	0.53	0.10	-0.03	-	-0.16	-0.13	0.32	-0.36
SiH2F2	Difluorosilane	1.54	0.71	-0.15	-	-0.15	0.04	-0.55	0.69
SiHF3	Trifluorosilane	1.27	0.61	-0.37	-	0.25	0.28	-0.20	1.54
Si2C6NH19	Hexamethyldisilazane	0.37	0.18	0.07	-	-0.04	0.27	0.07	-0.11
PH3	Phosphine	0.58	1.79	1.49	0.88	0.60	1.71	-0.46	0.77
CPH	Methinophosphide	0.39	0.87	0.10	0.83	-0.02	1.43	-0.09	1.19
CPH5	Methylphosphine	1.10	1.71	0.75	0.26	0.05	0.91	-0.28	0.50
C2PH7	Dimethylphosphine	1.23	1.83	0.49	0.03	-0.07	0.56	-0.14	0.58
C3PH9	Trimethylphosphine	1.19	1.76	0.28	-0.14	-0.11	0.33	0.00	0.73
PN	Phosphorus nitride	1.88	0.52	0.79	-0.76	0.39	-1.31	0.84	-0.74
CPH2F	CH2=P-F	1.35	1.38	0.06	0.27	-0.05	-0.05	-0.28	0.74
PF3	Phosphorus trifluoride	1.03	0.80	0.74	1.72	1.21	0.63	0.29	1.41
POF3	Phosphorus oxyfluoride	1.76	-1.59	-0.13	0.08	0.25	0.88	-0.56	-0.55
P2H4	P2H4	0.92	-0.91	-0.89	-0.82	-0.90	-0.80	-0.90	-0.84
H2S	Hydrogen sulfide (H2S)	0.97	0.82	0.46	0.45	0.81	0.89	0.09	0.51
CS	Carbon sulfide	0.68	-0.49	0.44	0.05	0.74	1.56	0.08	-0.24
CH2S	Thioformaldehyde	1.65	-0.18	-0.24	0.18	0.42	0.18	-0.03	0.20
CH4S	Thiomethanol	1.52	0.41	0.26	0.12	0.44	0.25	-0.15	0.01
C2H6S	Dimethyl thioether	1.50	0.34	0.32	0.12	0.46	0.07	0.04	0.07
C2H6S	Thioethanol	1.52	0.44	0.29	0.21	0.45	0.27	-0.16	-0.04
C4H4S	Thiophene	0.53	-0.17	-0.04	-0.38	0.14	-0.19	-0.35	0.01
C2NH3S	Methyl isothiocyanate	4.03	0.70	0.45	0.60	-0.62	-1.35	-1.58	-0.99
CSO	Carbon oxysulfide	0.71	-0.64	-0.21	-0.35	-0.32	-0.03	-0.61	-0.31
C2H6SO	Dimethyl sulfoxide	3.96	0.65	0.75	0.21	0.53	-0.01	0.23	0.67
SO2	Sulfur dioxide	1.58	0.94	0.31	2.93	2.04	2.71	2.00	2.15
SF2	Sulfur difluoride	1.05	0.75	0.49	0.93	-0.06	0.28	0.33	0.88
SiCH6S	CH3-S-SiH3	1.38	2.79	1.95	-	-0.78	0.61	0.43	1.13
C2H6S2	2,3-Dithiabutane	1.98	0.33	0.25	0.30	0.62	0.23	0.06	-0.08
HCl	Hydrogen chloride	1.12	0.63	0.40	0.38	0.26	0.26	-0.05	0.36
LiCl	Lithium chloride	7.09	1.35	0.96	-	-0.55	-0.03	-1.70	-1.20
CH3Cl	Methyl chloride	1.89	0.20	0.03	0.45	-0.51	-0.38	-0.03	0.08
C2HCl	Chloroacetylene	0.44	0.16	-0.23	-0.17	-0.30	-0.17	0.27	0.34
CNCl	Cyanogen chloride	2.80	-0.43	-0.24	-0.38	0.33	-0.62	-0.71	-0.81
ClO	Chlorine oxide	1.24	1.17	1.72	1.25	2.64	0.86	1.30	0.31
NClO	Nitrosyl chloride	1.86	0.05	-0.54	-0.45	-1.53	-1.00	-0.87	-0.18
ClF	Chlorine fluoride	0.88	-0.70	-0.78	0.32	0.54	0.03	-0.16	0.59
NaCl	Sodium chloride	8.97	0.49	-2.33	-	-1.27	-1.61	-0.07	-1.71
SiH2Cl2	Dichlorosilane	1.18	0.85	-0.02	-	1.51	0.59	-0.76	2.27
SCl2	Sulfur dichloride	0.36	0.86	0.37	1.48	0.22	-0.32	0.13	0.61
SiHCl3	Trichlorosilane	0.86	0.44	-0.25	-	1.53	0.56	-0.65	1.87
KF	Potassium fluoride	8.56	0.18	-0.82	-	-0.21	-1.03	-	0.01
KCl	Potassium chloride	10.24	0.47	0.28	-	0.91	0.46	-	1.28
CaF	Calcium monofluoride	3.07	1.51	0.86	-	-0.15	-0.35	-	-0.07
CaCl	Calcium monochloride	4.27	2.52	0.89	-	1.22	0.02	-	0.14
ZnC2H6	Dimethyl zinc	0.40	-0.40	-0.40	-	-0.40	-0.40	-0.40	-0.40
ZnC4H10	Diethyl zinc	0.00	0.06	0.05	-	0.11	0.05	0.06	0.08
ZnC6H14	Di-n-propyl zinc	0.10	-0.01	-0.03	-	-0.04	-0.04	-0.05	-0.03
ZnC8H18	Di-n-butyl zinc	0.00	0.49	0.35	-	0.07	0.14	0.30	0.23
GaF	Gallium fluoride	2.50	0.40	0.20	-	1.35	0.64	-	1.00
GeCH6	Methylgermane	0.64	-0.29	-0.57	-	-0.33	-0.50	-	-0.59
GeC2H4	Germylacetylene	0.14	0.75	0.77	-	0.46	0.25	-	0.81
GeC2H8	Dimethylgermane	0.62	-0.27	-0.49	-	-0.23	-0.52	-	-0.51
GeC3H10	Trimethylgermane	0.67	-0.40	-0.55	-	-0.31	-0.62	-	-0.55
GeCNH3	Cyanogermane	3.99	0.25	-0.07	-	-0.29	-0.86	-	-1.79
GeN3H3	Germylazide	2.58	2.37	1.86	-	0.13	-0.07	-	0.02
GeO	Germanium oxide	3.28	0.83	-0.18	-	-0.19	-0.64	-	0.25
GeC4H12O	Methoxytrimethylgermane	1.73	0.28	0.29	-	-0.03	-0.10	-	-0.47
GeC4H12O2	Dimethoxydimethylgermane	1.73	-0.77	-1.02	-	-0.63	-1.11	-	-0.71
GeC4H12O3	Trimethoxymethylgermane	1.91	-0.52	0.11	-	-0.72	-1.27	-	-1.22
GeH3F	Fluorogermane	2.30	1.41	1.06	-	-0.33	-0.23	-	-0.46
GeF2	Germanium difluoride	2.61	0.26	0.62	-	-0.90	0.55	-	1.97
GeCH3F3	Methyltrifluorogermane	3.80	-0.74	0.55	-	-0.94	-0.82	-	-0.68
GeS	Germanium sulfide	2.00	2.11	0.63	-	2.50	2.25	-	3.48
GeH3Cl	Chlorogermane	2.10	1.16	0.82	-	0.20	0.38	-	1.49
GeC3H9Cl	Trimethylchlorogermane	2.78	0.45	0.87	-	0.11	-0.25	-	0.70
GeC2H6Cl2	Dimethylgermanium dichloride	3.14	0.73	0.84	-	0.10	-0.21	-	0.84
GeCH3Cl3	Trichloromethylgermane	2.70	0.93	0.63	-	0.04	-0.16	-	0.78
AsH3	Arsine	0.20	0.94	0.54	-	0.54	0.64	-	1.91
C3AsH9	Trimethylarsine	1.10	0.04	-0.33	-	-0.39	-0.86	-	1.00
C2AsH6Cl	Dimethylarsenic chloride	3.06	0.32	0.41	-	0.22	-0.32	-	-0.03
CAsH3Cl2	Methylarsenic dichloride	2.80	0.58	0.57	-	0.42	0.14	-	-0.01
AsCl3	Arsenic trichloride	2.10	-0.14	-0.01	-	-0.27	0.07	-	-1.10
HSe	Selenyl radical	0.48	0.60	0.53	-	0.45	0.03	-	-0.07
H2Se	Hydrogen selenide	0.24	1.26	1.08	-	1.11	0.41	-	0.26
C2H6Se	Dimethylselenium	1.41	-0.54	-0.09	-	0.47	-0.21	-	-0.48
C4H4Se	Selenophene	0.37	-0.24	0.01	-	0.97	0.26	-	0.21
C4H8Se	Tetrahydroselenophene	1.93	-0.50	-0.05	-	0.43	-0.12	-	-0.67
SeO2	Selenium dioxide	2.70	2.80	1.78	-	0.92	3.73	-	0.33
SeF	Selenium fluoride	1.52	1.15	-0.16	-	-0.16	0.13	-	1.36
CSeS	Thiocarbonyl selenide	0.03	0.52	1.27	-	1.26	0.34	-	0.01
GeSe	Germanium selenide	1.65	-0.55	-0.26	-	-0.02	1.28	-	7.82
HBr	Hydrogen bromide	0.83	0.81	0.33	-	0.44	0.55	0.33	0.24
LiBr	Lithium bromide	7.23	1.55	0.73	-	-0.84	0.45	-2.55	-0.96
CH3Br	Bromomethane	1.82	-0.03	-0.24	-	-0.27	-0.34	0.05	-0.26
C2HBr	Bromoacetylene	0.00	0.47	0.12	-	0.28	0.57	0.83	0.43
C2H3Br	Bromoethylene	1.42	0.27	0.09	-	-0.09	-0.11	0.20	-0.11
C2H5Br	Bromoethane	2.03	0.18	0.05	-	-0.18	-0.37	-0.05	-0.37
C3H7Br	1-Bromopropane	2.18	0.11	-0.04	-	-0.37	-0.48	-0.14	-0.47
C6H5Br	Bromobenzene	1.70	0.24	0.08	-	-0.52	-0.25	0.10	-0.28
BrO	Bromine oxide	1.61	-0.34	0.33	-	0.48	-0.26	-0.08	-0.42
C2H3BrO	Acetyl bromide	2.43	1.04	0.94	-	0.53	0.16	0.14	0.02
BrF	Bromine fluoride	1.42	-0.28	-0.62	-	0.83	0.04	0.08	0.68
CBrF3	Bromotrifluoromethane	0.65	0.17	0.35	-	0.26	0.37	0.31	0.53
NaBr	Sodium bromide	9.09	-0.05	-1.42	-	-1.08	-1.09	0.22	-1.53
BrCl	Bromine chloride	0.52	0.28	0.08	-	-0.46	-0.07	-0.09	0.23
KBr	Potassium bromide	10.60	-0.29	0.28	-	1.66	-0.14	-	0.34
CaBr	Calcium monobromide	4.36	2.13	0.15	-	1.50	-0.11	-	0.09
GeH3Br	Bromogermane	1.70	1.68	0.81	-	1.22	0.61	-	1.92
GeC3H9Br	Trimethylbromogermane	2.84	0.61	0.51	-	0.97	-0.27	-	0.62
CH2Br2	Dibromomethane	1.43	0.23	-0.02	-	0.01	-0.11	0.18	-0.06
CBr2F2	Difluorodibromomethane	0.66	0.01	-0.03	-	-0.12	-0.06	0.11	0.17
SiH2Br2	Dibromosilane	1.43	0.01	-0.28	-	1.66	0.37	-0.26	1.90
CHBr3	Bromoform	0.99	0.22	0.00	-	-0.04	-0.08	0.07	-0.08
GeC2H3Br3	Tribromovinylgermane	2.47	1.23	0.28	-	1.06	0.28	-	1.66
AsBr3	Arsenic tribromide	1.66	-0.55	-0.34	-	0.23	-0.19	-	-1.63
RbF	Rubidium fluoride	8.51	0.25	0.67	-	0.22	0.38	-	0.59
RbCl	Rubidium chloride	10.48	1.51	1.31	-	1.71	0.39	-	0.76
RbBr	Rubidium bromide	10.86	2.54	0.94	-	0.98	-0.13	-	0.53
SrO	Strontium oxide	8.90	2.38	0.85	-	-0.33	0.19	-	-2.97
SrH8O4F2	cis-Sr(II)(H2O)4.F2	1.33	2.83	1.33	-	3.00	3.30	-	6.21
SrH8Cl2O4	cis-Sr(II)(H2O)4.Cl2	5.00	0.87	-1.96	-	-1.67	-3.13	-	-4.52
SrH8Br2O4	cis-Sr(II)(H2O)4.Br2	5.40	-2.00	-3.91	-	-4.59	-3.44	-	-4.91
MoO2F2	Molybdenum(VI) difluoride dioxide	0.44	1.53	1.04	-	-	1.77	-	-
MoCl	Molybdenum(I) chloride	3.91	0.70	1.08	-	-	1.21	-	-
MoCl2O2	Molybdenum(VI) dichloride dioxide	0.86	1.36	1.01	-	-	0.31	-	-
MoBr	Molybdenum(I) bromide	4.22	-1.01	1.17	-	-	0.84	-	-
MoBr2O2	Molybdenum(VI) dibromide dioxide	1.43	1.63	1.23	-	-	-0.37	-	-
CdCH3F	Methyl cadmium fluoride	3.20	1.53	0.42	-	-0.42	-	-0.78	0.14
CdCH3Cl	Methyl cadmium chloride	3.40	0.33	-0.44	-	0.94	-	-1.63	0.29
InF	Indium fluoride	3.40	3.60	-0.10	-	-1.32	-2.01	-	-1.82
InCH3SF2	InF2(CH3S)	4.00	-0.86	-0.89	-	0.77	0.67	-	0.64
InCl	Indium chloride	3.80	4.38	0.54	-	0.12	-1.40	-	-0.35
SnC2H8	Dimethylstannane	0.78	-0.07	0.12	-	-0.16	-0.51	-	-0.25
SnC3H10	Trimethyltin hydride	0.67	-0.07	-0.06	-	-0.22	-0.47	-	-0.48
SnC9H14	Phenyltrimethylstannane	0.51	0.49	0.07	-	-0.18	0.36	-	-0.18
SnO	Tin oxide	4.30	-1.33	-1.32	-	-1.38	0.39	-	-1.37
SnC2H6F2	Dimethyltin difluoride	4.50	-0.47	0.08	-	-0.71	-1.11	-	0.48
SnS	Tin sulfide	3.20	1.76	0.48	-	-0.43	1.48	-	-0.09
SnC3H9Cl	Trimethyltin chloride	3.50	0.57	0.60	-	0.52	0.68	-	0.05
SnC2H6Cl2	Dimethyltin dichloride	4.41	0.01	0.09	-	0.10	0.39	-	0.10
SnC3H9Br	Trimethyltin bromide	3.45	-0.11	0.07	-	1.68	0.47	-	-0.29
SnC2H6Br2	Dimethyltin dibromide	3.60	0.07	-0.01	-	2.48	0.72	-	0.21
SbH3	Stibine	0.10	0.47	0.91	-	0.42	0.12	-	0.49
C3SbH9	Trimethyl stibine	1.00	-0.63	-0.39	-	-0.68	-0.57	-	-0.87
C2SbH6F	Dimethyl antimony fluoride	2.90	1.15	0.96	-	0.30	-0.55	-	0.52
C2SbH6Cl	Dimethyl antimony chloride	3.20	0.62	0.41	-	0.58	1.04	-	0.28
C4SbH10Cl	Diethyl antimony chloride	3.40	0.30	0.04	-	0.17	0.69	-	-0.01
SnTe	Tin telluride	2.20	3.40	-0.17	-	0.58	-1.44	-	6.79
HI	Hydrogen iodide	0.44	1.80	0.64	0.96	0.53	0.83	0.49	0.57
LiI	Lithium iodide	7.43	1.27	1.88	-	0.08	1.15	5.70	-0.24
CH3I	Methyl iodide	1.65	0.38	-0.43	0.17	-0.21	-0.30	0.15	-0.28
C2H5I	Iodoethane	1.91	0.54	-0.04	0.24	-0.08	-0.41	0.01	-0.50
C3H7I	1-Iodopropane	2.04	0.53	-0.16	0.15	-0.27	-0.50	-0.06	-0.58
C6H5I	Iodobenzene	1.70	0.56	-0.08	-0.02	-0.91	-0.27	0.10	-0.10
CIF3	Trifluoroiodomethane	1.00	0.43	0.49	0.81	0.55	0.67	0.84	1.13
NaI	Sodium iodide	9.21	0.88	1.18	-	-0.39	-0.52	0.13	-0.98
KI	Potassium iodide	10.82	0.50	0.39	-	2.41	-0.69	-	-0.34
CaI	Calcium monoiodide	4.60	0.98	-0.06	-	1.96	0.49	-	0.16
GeH3I	Iodogermane	1.81	2.36	0.33	-	0.75	-0.16	-	1.35
IBr	Iodine bromide	0.74	0.02	-0.02	-	-0.21	-0.11	0.17	-0.02
RbI	Rubidium iodide	11.48	-0.84	2.73	-	1.07	-0.17	-	-0.79
SrI	Strontium iodide	3.50	7.76	0.89	-	2.58	-0.02	-	0.14
MoI	Molybdenum(I) iodide	4.12	0.69	0.78	-	-	1.28	-	-
SnC3H9I	Trimethyltin iodide	3.37	2.30	0.26	-	1.27	0.40	-	-1.01
CH2I2	Diiodomethane	1.62	0.08	-0.65	0.00	-0.41	-0.50	-0.21	-0.47
SrH8I2O4	cis-Sr(II)(H2O)4.I2	5.40	3.84	-2.16	-	-4.15	-1.19	-	-5.35
MoI2O2	Molybdenum(VI) dioxide diiodide	1.92	0.52	0.54	-	-	-1.06	-	-
SnC2H6I2	Dimethyltin diiodide	3.35	2.50	0.24	-	1.78	-2.03	-	-0.77
CsHO	Cesium hydroxide	7.10	0.93	1.26	-	1.85	1.78	-	2.42
CsF	Cesium fluoride	7.85	1.74	2.82	-	-4.19	1.46	-	2.29
CsH6O3F	Cs(+)(H2O)3.F	4.90	-0.50	-0.36	-	3.53	1.38	-	5.21
CsCl	Cesium chloride	10.36	1.71	1.56	-	2.09	1.53	-	2.39
CsH6ClO3	Cs(+)(H2O)3.Cl	5.80	1.22	-0.34	-	3.06	1.81	-	7.16
CsBr	Cesium bromide	10.82	1.87	0.33	-	1.21	0.53	-	2.49
CsH6BrO3	Cs(+)(H2O)3.Br	5.90	1.44	0.38	-	2.44	0.35	-	7.38
CsI	Cesium iodide	11.69	1.83	-1.86	-	0.72	-0.05	-	1.36
CsH6IO3	Cs(+)(H2O)3.I	6.60	2.80	-0.41	-	3.45	0.07	-	6.67
BaO	Barium oxide	8.00	5.16	1.00	-	-1.92	-1.35	-	-2.20
BaI	Barium monoiodide	5.97	6.97	-2.15	-	0.06	-1.34	-	-0.83
LaC3H9	Trimethyl lanthanum	3.94	-3.93	-3.91	-3.89	-3.89	-3.86	-	-
LaF	Lanthanum(I) fluoride	2.46	10.66	12.71	11.89	12.18	12.37	-	-
LaOF	Lanthanum(III) oxide fluoride	6.73	-6.09	-4.80	-6.71	-6.42	-6.30	-	-
LaF3	Lanthanum(III) trifluoride	1.63	-1.57	-1.23	-1.62	-1.61	-1.53	-	-
LaCl	Lanthanum(I) chloride	5.54	14.08	28.06	10.69	11.09	11.35	-	-
LaClO	Lanthanum(III) oxide chloride	7.36	-6.98	-4.91	-7.28	-7.08	-6.88	-	-
LaCl3	Lanthanum(III) trichloride	1.30	-1.24	-1.23	-1.23	-1.23	-1.23	-	-
LaBr3	Lanthanum(III) tribromide	0.75	-0.69	-0.68	-	-0.66	-0.67	-	-
HgC2NH3	Methylmercuric cyanide	4.69	-0.66	-0.65	-	-0.62	-0.63	-0.34	-1.16
HgCH3Cl	Methylmercuric chloride	3.36	-0.18	-0.06	-	-0.10	0.13	-0.85	0.06
HgC2H5Cl	Ethylmercuric chloride	2.99	0.43	0.74	-	0.20	0.67	-0.44	0.38
HgCl2	Mercury dichloride	1.23	-1.23	-1.23	-	-1.23	-1.23	-1.23	-1.23
HgCH3Br	Methylmercuric bromide	3.10	-0.13	-0.64	-	0.30	0.05	-0.45	0.11
HgC2H5Br	Ethylmercuric bromide	2.80	0.41	0.07	-	0.59	0.47	-0.09	0.34
HgBr2	Mercury dibromide	0.95	-0.95	-0.95	-	-0.95	-0.95	-0.95	-0.95
HgCH3I	Methylmercuric iodide	1.30	2.54	0.64	-	1.46	1.80	1.61	1.58
HgC2H5I	Ethylmercuric iodide	3.04	1.09	-0.67	-	-0.25	0.16	-0.08	-0.28
TlCl	Thallium chloride	4.54	0.87	1.26	-	0.65	2.99	-	2.84
TlBr	Thallium bromide	4.49	0.28	0.79	-	0.41	1.85	-	2.39
TlI	Thallium iodide	4.61	1.95	0.62	-	0.30	2.45	-	1.98
PbO	Lead oxide	4.64	0.46	0.60	-	-0.87	0.35	-	-1.02
PbS	Lead sulfide	3.59	-0.08	-0.57	-	-0.65	1.01	-	-0.34
PbC4H12S	Pb(CH3)3(CH3S)	2.50	0.05	0.66	-	0.56	-0.30	-	-0.24
PbC3H9Cl	Trimethyllead chloride	4.50	0.74	0.33	-	0.02	-0.66	-	0.07
PbSe	Lead selenide	3.28	-0.22	1.57	-	-0.31	1.33	-	2.76
PbTe	Lead telluride	2.73	2.09	0.74	-	-0.04	-1.26	-	6.11
BiH3	Bismuth trihydride	0.40	0.49	0.31	-	1.76	2.47	-	0.88
BiC2H6F	Dimethyl bismuth fluoride	4.80	0.60	0.72	-	-0.62	3.27	-	-0.15
BiF3	Bismuth trifluoride	5.80	-4.98	0.15	-	0.49	-5.27	-	-5.70
BiC2H6Cl	Dimethyl bismuth chloride	4.70	-0.12	-0.33	-	0.55	3.88	-	1.15
BiC4H10Cl	Diethyl bismuth chloride	5.20	-0.32	-0.83	-	-0.07	2.07	-	0.99
BiCl3	Bismuth trichloride	4.60	0.22	-0.17	-	0.92	-4.55	-	-1.05
BiBr3	Bismuth tribromide	3.60	1.19	-0.39	-	2.25	-3.37	-	0.46