Errors in Geometries

Errors in Geometries (Angstroms and Degrees)

Empirical	Chemical Name	Variable	Expt.	PM7	PM6
H2	Hydrogen	H-H	0.74	0.02	0.02	a
LiH	Lithium hydride	Li-H	1.59	-0.65	-0.33	a
LiHe	Helium lithium cation	He-Li	2.15	0.00	0.00	b
Li2	Lithium, dimer	Li-Li	2.67	-0.83	-1.36	a
BeH	Beryllium hydride, cation	Be-H	1.31	0.01	0.02	a
BeH	Beryllium hydride	Be-H	1.34	-0.04	-0.02	a
LiBeH	LiBeH	Li-Be	2.43	-0.26	-0.61	c
BH	BH	B-H	1.24	-0.04	-0.03	d
BH2	BH2	B-H	1.18	-0.04	0.00	e
		H-B-H	131.00	48.02	-2.10
B2	Boron dimer	B-B	1.59	-0.34	0.17	d
B2H4	B2H4 (C2v)	B-B	1.46	-0.06	0.04	f
		B-H(b)	1.34	0.03	-0.10
		B-H(t)	1.18	0.00	0.00
		H(t)-B-B	173.20	6.58	-24.43
B2H6	Diborane	B-B	1.74	-0.06	-0.02	g
		B-H(b)	1.31	0.07	0.04
		B-H(t)	1.18	0.01	0.00
		H(t)-B-H(t)	121.50	-24.42	0.14
B4H10	B4H10	B-B	1.85	0.00	-0.04	g
		B-B	1.72	0.00	-0.02
		B-H	1.43	0.03	0.04
B5H9	B5H9	B-H	1.18	0.02	0.00	h
		B-B	1.69	0.06	0.00
		B-B-B	131.03	1.27	0.64
		B-H	1.35	0.05	0.02
		H-B-B	48.18	1.61	1.13
		B-H	1.19	0.03	0.00
B5H11	B5H11	B1-B2	1.85	-0.01	-0.07	i
		B1-B3	1.72	0.05	0.02
		B2-B1-B3	57.41	1.43	2.43
		B3-B1-B4	61.97	-0.91	0.45
B6H10	B6H10	B1-B2	1.76	0.04	-0.01	j
		B2-B3	1.75	0.07	-0.02
		B-B-B	61.06	0.50	1.04
		B-B	1.81	0.02	0.01
		B-B-B	58.66	0.24	0.32
B10H14	B10H14	B3-B1	1.79	0.07	-0.02	k
		B2-B1	1.78	0.00	-0.04
		B5-B2	1.74	0.03	0.01
		B6-B2	1.72	0.04	-0.01
		B8-B7	1.97	-0.07	-0.19
CH2	Methylene, singlet	C-H	1.11	-0.04	-0.04	a
		H-C-H	102.40	9.13	8.96
CH2	Methylene, triplet	C-H	1.03	-0.01	-0.01	a
		H-C-H	136.00	39.51	41.19
CH4	Methane	C-H	1.09	-0.01	-0.01	l
LiCH3	Methyl lithium	Li-C	2.00	-0.03	0.00	c
C2	Carbon, dimer	C-C	1.24	-0.07	-0.09	a
C2H2	Acetylene	C-C	1.20	0.01	0.00	l
		C-H	1.06	-0.03	-0.03
C2H4	Ethylene	C-C	1.33	0.00	0.00	l
		C-H	1.08	0.00	0.00
		H-C-C	123.51	0.11	-0.02
C2H6	Ethane	C-C	1.54	-0.01	-0.02	l
		C-H	1.09	0.01	0.01
		H-C-C	110.90	0.49	0.59
LiC2H	Lithium acetylide	Li-C	1.89	0.01	0.07	c
LiC2H5	Ethyl lithium	Li-C	2.02	-0.05	-0.02	c
BeC2H6	Dimethylberyllium	Be-C	1.75	-0.15	-0.04	m
B4C2H6	C2B4H6	C-C	1.54	-0.04	0.03	n
		C-B3	1.63	0.11	0.03
		C-B4	1.60	0.09	0.08
		B3-B4	1.72	0.00	0.02
		B4-B6	1.75	0.04	-0.05
C3H4	Allene	C-C	1.31	-0.01	-0.01	o
		C-H	1.09	0.00	0.00
		H-C-C	120.90	2.70	2.42
C3H4	Cyclopropene	C2-C3	1.51	-0.01	0.00	p
		C1-C2	1.30	0.02	0.02
		C1-H	1.07	-0.03	-0.03
		H-C1-C2	149.90	3.67	3.51
C3H4	Propyne	C2-C1	1.21	0.00	0.00	q
		C1-H	1.06	-0.03	-0.03
		C2-C3	1.46	-0.03	-0.03
		C3-H	1.10	0.00	0.00
		H-C-C	111.00	0.92	0.58
C3H6	Cyclopropane	C-C	1.51	0.00	0.01	r
		C-H	1.09	0.00	0.00
C3H6	Propene	C=C	1.34	0.00	-0.01	s
		C-C	1.50	-0.01	-0.01
		C-C-C	124.30	-0.73	-0.05
		C3-H	1.08	0.01	0.01
		H-C3-C2	111.20	1.71	1.67
		C2-H	1.09	0.00	0.00
		H-C2-C1	119.00	2.72	2.38
		H-C1	1.08	0.00	0.00
		H-C1-C2	123.19	0.24	0.00
C3H8	Propane	C-C	1.53	0.00	0.00	s
		C-C-C	112.40	-1.19	-0.19
		C2-H	1.11	-0.01	-0.01
		H-C2-C1	109.45	0.45	0.18
		C1-H	1.10	0.00	0.00
		H-C1-C2	111.80	-0.51	-0.47
LiC3H7	Isopropyl lithium	Li-C	2.04	-0.06	-0.03	c
BC3H9	Trimethyborane	B-C	1.58	0.01	0.00	t
C4H2	Diacetylene	C1-C2	1.21	0.01	0.00	u
		C2-C3	1.38	-0.01	-0.01
		C-H	1.05	-0.02	-0.01
C4H4	CH2=C=C=CH2	C-H	1.08	0.00	0.00	v
		C1-C2	1.32	-0.01	-0.01
		C2-C3	1.28	-0.01	-0.01
C4H4	Vinylacetylene	C3-C4	1.34	0.00	-0.01	w
		C2-C3	1.43	-0.02	-0.01
		C2-C3-C4	123.10	-0.41	-0.04
		C1-C2	1.21	0.00	0.00
C4H6	Bicyclobutane	C1-C2	1.50	0.02	0.02	x
		C1-C3	1.50	-0.01	0.01
		C2-C3-C1-C4	121.70	-1.26	-1.24
		C1-H	1.07	-0.01	-0.01
		C2-H	1.09	-0.01	0.00
C4H6	2-Butyne	C2-C3	1.21	0.00	-0.01	w
		C1-C2	1.47	-0.04	-0.03
		C-H	1.11	-0.01	-0.01
		H-C-C	110.70	1.04	0.49
C4H6	1,3-Butadiene	C1C2	1.34	-0.01	-0.01	y
		C2C3	1.47	-0.01	0.00
		CCC	122.90	-0.17	0.05
C4H8	1-Butene	C2-C3	1.35	-0.01	-0.01	z
		C1-C2	1.51	-0.01	-0.01
		C-C-C	123.80	-1.04	-0.48
C4H8	Cyclobutane	C-C	1.55	0.00	0.00	aa
		C1-C2-C4-C3	153.00	26.51	25.60
		C-H	1.10	-0.01	-0.01
C4H8	Isobutene	C1-C2	1.33	0.01	0.01	bb
		C2-C3	1.51	-0.01	-0.01
		C1-C2-C3	122.40	0.06	0.11
C4H8	trans-2-Butene	C=C	1.35	-0.01	-0.01	z
		C-C	1.51	-0.02	-0.02
		C-C=C	123.80	-0.66	-0.27
C4H10	n-Butane	C1-C2	1.53	0.00	-0.01	q
		C2-C3	1.53	0.00	0.00
		C-C-C	112.80	-1.83	-0.86
C4H10	Isobutane	C-C	1.52	0.01	0.01	cc
LiC4H9	t-butyl lithium	Li-C	2.04	-0.07	-0.03	c
LiC4H9	n-Butyl lithium	Li-C	2.07	-0.09	-0.06	m
C5H6	Cyclopentadiene	C1-C2	1.34	0.01	0.01	bb
		C2-C3	1.47	0.00	0.01
		C1-C5	1.51	0.00	0.01
C5H8	Spiropentane	C2-C3	1.52	-0.03	-0.03	dd
C5H12	Neopentane	C-C	1.54	0.00	0.00	ee
		C-H	1.09	0.00	0.00
		H-C-C	111.10	0.21	0.32
LiC5H5	Lithium cyclopentadienide	Li-C	2.11	0.26	0.33	ee
C6H6	Benzene	C-C	1.40	-0.01	0.00	ff
		C-H	1.08	0.00	0.00
C6H6	Fulvene	C3-C4	1.48	0.00	0.01	gg
		C2-C3	1.35	0.00	0.00
		C1-C2	1.47	0.01	0.02
		C1-C6	1.35	-0.02	-0.02
C6H10	Cyclohexene	C1-C2	1.33	0.00	0.00	hh
		C2-C3	1.50	-0.01	0.00
		C3-C4	1.51	0.02	0.02
		C4-C5	1.55	-0.02	-0.02
		C5-C4-C2-C1	21.80	7.03	5.19
C6H12	Cyclohexane	C-C	1.54	0.00	0.00	ii
		C-C-C	111.40	-0.75	-0.02
		C-C-C-C	54.90	2.08	0.06
Li4C8H20	Li(I)4(Et)4 (ETHYLI)	Li-Li	2.42	-0.08	-0.29	jj
		Li-C	2.19	0.12	0.07
		C-Li-Li	58.20	1.38	3.59
C10H8	Naphthalene	C1-C2	1.36	0.01	0.01	kk
		C2-C3	1.42	0.00	0.01
		C1-C9	1.42	0.00	0.01
		C9-C10	1.42	-0.01	0.00
C12H10	Biphenyl, for torsion (Torsion a	C-C-C-C	45.00	14.12	12.99	ee
C13H12	o-Methyl bipheny (Torsion angle)	C-C-C-C	58.00	15.81	15.81	ee
C14H14	o,o'-Dimethyl biphenyl, for tors	C-C-C-C	72.00	21.47	7.77	ee
NH3	Ammonia	N-H	1.01	-0.02	-0.01	a
		H-N-H	106.67	3.41	0.93
LiNH2	LiNH2	Li-N	1.75	0.04	-0.03	c
BNH4	BH2-NH2	B-N	1.40	-0.04	-0.01	g
		B-H	1.18	0.00	0.01
		H-B-N	120.70	6.70	-1.16
		N-H	1.00	0.00	-0.01
		H-N-B	117.90	6.64	5.10
BNH6	BH3-NH3	B-N	1.67	-0.07	-0.09	g
		B-H	1.21	-0.02	-0.01
		H-B-N	104.53	12.46	4.35
		N-H	1.01	0.00	0.00
		H-N-B	109.85	0.98	0.05
CN	Cyanide	C-N	1.18	-0.04	-0.04	a
CNH	Hydrogen cyanide	C-N	1.15	0.00	0.00	ll
		C-H	1.06	-0.02	-0.01
CNH5	Methylamine	C-N	1.47	0.00	0.01	mm
		N-H	1.01	0.00	0.01
		H-N-C	112.00	-0.63	-1.85
		H-N-H	105.90	2.53	0.63
LiCN	Lithium isocyanide	Li-N	1.77	-0.03	-0.04	c
C2NH3	Acetonitrile	C-C	1.46	-0.02	-0.02	nn
		C-H	1.10	0.00	0.00
		H-C-C	109.50	2.42	2.07
		C-N	1.16	0.00	0.00
C2NH3	Methyl isocyanide	C-N	1.42	-0.01	0.02	nn
		C-H	1.10	0.01	0.01
		H-C-N	109.10	1.82	1.67
		C-N	1.17	0.01	0.00
C2NH5	Ethyleneimine (Azirane)	C-C	1.48	0.03	0.03	oo
		C-N	1.48	0.00	0.02
C2NH7	Dimethylamine	C-N	1.46	0.02	0.03	pp
		N-H	1.02	0.00	0.01
		H-N-C	108.90	1.12	-0.03
		C-N-C	112.20	-0.88	-0.56
C3NH	CH.C.CN	N-C3	1.16	0.00	0.00	nn
		C3-C2	1.38	0.00	0.00
		C2-C1	1.21	0.01	0.00
		C-H	1.06	-0.02	-0.02
C3NH3	Acrylonitrile	C1-C2	1.34	0.00	-0.01	nn
		C2-C3	1.43	0.00	0.01
		C-C-C	122.60	-0.39	-0.08
		C-N	1.16	-0.01	-0.01
C3NH9	Trimethylamine	C-N	1.45	0.03	0.04	qq
		C-N-C	110.90	-0.34	-0.54
C4NH5	Pyrrole	C-N	1.37	0.02	0.03	y
		C-N-C	107.70	1.07	1.12
		C3-C2	1.38	0.01	0.01
		C-C-C	109.80	-1.66	-1.98
		C4-C3	1.42	-0.02	-0.02
C5NH5	Pyridine	N-C1	1.34	0.01	0.02	rr
		C1-C2	1.39	0.01	0.01
		N-C-C	123.80	-1.13	-1.01
		C2-C3	1.39	0.00	0.01
		C1-C2-C3	118.50	-0.07	0.02
N2	Nitrogen	N-N	1.09	0.02	0.02	ss
B2N2H12	BH3-NH3, dimer	H-H	1.88	0.20	-0.32	m
C2N2	Cyanogen	C-N	1.15	0.00	0.00	l
		C-C	1.39	0.00	0.01
C2N2H6	Dimethyldiazene	N-N	1.25	-0.01	-0.01	l
		C-N	1.47	-0.01	0.01
		C-N-N	111.90	3.58	3.83
LiC12N2H23	Li(I)(Cp)N2 (SIJNII)	Li-N	2.13	0.13	0.04	jj
		N-Li-N	85.25	-2.85	0.01
		Li-C	2.28	0.16	0.24
LiC14N2H25	Li(I)N2C5 (FAGCAR)	Li-C	2.52	0.06	0.26	jj
		Li-C	2.40	0.05	0.13
		C-Li-C	74.96	0.80	-3.66
		Li-N	2.15	0.11	0.00
N3	Azide	N-N	1.18	0.00	0.00	a
B3N3H6	Borazole	B-N	1.44	0.00	0.00	tt
		N-B-N	121.10	-2.32	-0.82
		B-N-B	118.90	2.32	0.81
		B-H	1.26	-0.06	-0.06
		N-H	1.00	0.00	0.00
C3N3H3	s-Triazine	CN	1.34	0.02	0.03	uu
		NCN	126.80	-3.65	-2.80
LiC15N3H28	Li(I)N3C (DANKUY)	Li-C	2.14	-0.08	-0.02	jj
		Li-N	2.13	0.25	0.15
		N-Li-C	113.92	26.67	17.82
LiC12N4H32	Li(I)N4(+) (PIKWAH)	Li-N	2.13	0.13	0.08	jj
		N-Li-N	87.76	-2.83	-2.16
Be3C12N6H36	Be(II)3N6 (DMABET10)	Be-Be	2.30	0.14	0.15	jj
		Be-N	1.57	-0.01	-0.01
		Be-N	50.53	-3.79	-3.40
H2O	Water	O-H	0.96	0.00	-0.01	l
		H-O-H	104.50	0.12	3.14
LiO	Lithium oxide (LiO)	Li-O	1.69	-0.13	-0.13	vv
LiHO	Lithium hydroxide	Li-O	1.58	-0.03	0.05	a
		O-H	0.97	-0.09	-0.12
		O-H	180.00	0.00	0.00
Li2O	Lithium oxide (Li2O)	Li-O	1.59	-0.17	-0.08	ww
BeO	Beryllium oxide	Be-O	1.33	-0.03	-0.02	a
BO	BO	B-O	1.20	-0.03	-0.02	d
CO	Carbon monoxide	C-O	1.13	0.01	0.01	ss
CH2O	Formaldehyde	C-O	1.21	0.00	0.00	xx
		C-H	1.12	-0.02	-0.02
		H-C-O	121.75	-0.56	0.27
CH4O	Methanol	C-O	1.43	-0.01	0.01	yy
		C-H	1.09	0.00	0.00
		H-C-O	108.50	1.88	1.77
		O-H	0.94	0.03	0.03
		C-O-H	107.00	3.25	2.87
LiCH3O	Lithium methoxide	Li-O	1.60	-0.06	0.03	c
BCH3O	BH3CO	C-B	1.53	-0.04	-0.03	g
		B-H	1.22	-0.02	-0.02
		C-B-H	103.80	14.72	4.14
		C-O	1.14	0.00	0.01
C2H2O	Ketene	C-O	1.16	0.00	0.00	zz
		C-C	1.31	-0.01	-0.01
		C-H	1.08	-0.01	0.00
		H-C-C	118.70	5.55	5.41
C2H4O	Acetaldehyde	C1-C2	1.50	0.00	0.00	aaa
		C2-O	1.21	0.00	0.00
		O-C2-C1	123.90	-1.66	-1.32
		C2-H	1.11	-0.02	-0.01
		C1-C2-H	117.50	-0.57	-1.86
C2H6O	Dimethyl ether	C-O	1.41	0.01	0.03	bbb
		C-O-C	111.30	1.57	2.15
C3H4O	Acrolein	C3-C2	1.33	0.00	0.00	ccc
		C2-C1	1.48	0.00	0.01
		C-C-C	121.00	0.19	0.61
		C-O	1.21	0.00	0.01
		O-C-C	124.00	-1.69	-0.51
C3H6O	Acetone	C=O	1.22	-0.02	-0.01	ddd
		C-C	1.51	-0.01	0.00
		C-C=O	121.40	0.04	0.38
C4H4O	Furan	C2-O1	1.36	0.02	0.04	eee
		C2-O1-C5	106.60	-0.02	-0.71
		C3-C2	1.36	0.01	0.01
		C3-C2-O1	110.70	-0.25	-0.33
C5O	C-C-C-C-C-O	C1-O	1.16	0.00	0.00	fff
		C1-C2	1.28	0.00	0.00
		C2-C3	1.26	0.01	0.01
		C3-C4	1.29	-0.01	-0.01
		C4-C5	1.27	0.01	0.00
NO	Nitrogen oxide	N-O	1.15	-0.02	-0.02	a
LiNO	Lithium oxynitride	Li-O	1.63	0.91	0.88	a
		O-N	1.30	-0.11	-0.10
		Li-O-N	100.00	-59.43	-59.66
CNHO	Hydrogen isocyanate	N-H	0.99	0.00	0.01	a
		C-N	1.21	0.01	0.02
		C-N-H	128.10	9.75	6.86
		C-O	1.17	0.00	0.00
		O-C-N	180.00	-13.08	-13.45
CNH3O	Formamide	C-N	1.38	0.01	0.02	ggg
		N-H	1.00	-0.01	0.00
		C-H	1.10	-0.01	0.00
		C-O	1.19	0.02	0.02
		O-C-N	123.80	-4.16	-3.93
N2O	Nitrous oxide	N-N	1.13	0.00	0.00	a
		N-O	1.18	0.00	0.00
C13N2H12O	CEB (Torsion angle)	C-C-C-C	54.51	-8.05	-1.71	ee
C14N2H14O	1D88_B3P (Torsion angle)	C-C-C-C	39.08	5.64	2.27	ee
C22N4H26O	2ME_B3P (Torsion angle)	C-C-C-C	48.36	0.55	-2.27	ee
O2	Oxygen, triplet state	O-O	1.22	-0.08	-0.11	ss
H2O2	Hydrogen peroxide	O-O	1.48	-0.05	-0.05	hhh
		O-H	0.95	0.04	0.05
		H-O-O	94.80	2.93	3.18
		H-O-O-H	119.80	54.49	53.34
LiH3O2	LiOH.H2O	Li-O(H)	1.65	-0.08	0.00	m
		Li-O(H2)	2.00	0.51	0.38
LiH4O2	Li(+)(H2O)2	Li-O	1.94	0.19	0.17	m
BO2	BO2.	B-O	1.26	0.00	0.00	d
B2O2	O-B-B-O	B-O	1.20	-0.01	-0.01	a
		B-B	1.70	-0.17	-0.10
CO2	Carbon dioxide	C-O	1.16	0.01	0.01	l
CH2O2	Formic acid	C=O	1.20	0.00	0.00	iii
		C-O	1.34	0.01	0.03
		O-C-O	124.90	-3.33	-4.18
		O-H	0.97	0.02	0.02
		H-O-C	106.30	8.67	7.65
		C-H	1.10	-0.01	-0.01
		H-C-O	124.10	5.68	6.93
C2H2O2	trans Glyoxal	C-O	1.21	0.00	0.00	ccc
		C-C	1.52	0.00	0.03
		C-C-O	121.20	-1.96	-1.40
C2H4O2	Methyl formate	C=O	1.20	0.00	0.01	jjj
		C-O	1.33	0.02	0.04
		O-C=O	125.90	-2.59	-3.13
		O-CH3	1.44	-0.01	0.01
		C-O-C	114.80	1.92	2.86
C3O2	Carbon suboxide	C-O	1.16	0.00	0.00	kkk
		C-C	1.29	-0.01	-0.01
C6H4O2	p-Benzoquinone	C1-C2	1.48	0.01	0.02	lll
		C2-C3	1.32	0.01	0.01
		C-C-C	121.10	0.30	0.75
		C-O	1.22	-0.01	-0.01
NO2	Nitrogen dioxide	N-O	1.20	-0.02	-0.03	a
		O-N-O	136.03	3.69	6.65
NHO2	Nitrous acid (cis)	N-O	1.46	-0.12	-0.12	a
		N=O	1.20	-0.02	-0.02
		O-N-O	114.00	4.09	4.78
		O-H	0.98	0.02	0.04
		H-O-N	103.00	12.34	13.16
NHO2	Nitrous acid (trans)	N-O	1.46	-0.08	-0.07	a
		N=O	1.20	-0.03	-0.03
		O-N-O	118.00	-5.62	-4.89
		O-H	0.98	0.02	0.03
		H-O-N	105.00	0.85	1.33
C7NH7O2	Salicylaldoxime	N(14)-H(17)	1.83	-0.13	0.21	mmm
		O(10)-N(14)	2.63	-0.14	0.20
N2H2O2	NH2-NO2	N-N	1.43	-0.06	-0.05	nnn
		N-O	1.21	0.01	0.01
		N-H	1.00	0.00	0.01
		O-N-O	130.10	-1.91	-1.13
BeC22N2H16O2	Be(II)N2O2 (XEFSEG)	Be-O	1.56	0.03	0.03	jj
		Be-N	1.75	-0.03	0.00
		N-Be-O	105.18	5.64	1.32
O3	Ozone	O-O	1.20	-0.02	-0.03	l
		O-O-O	114.86	12.52	14.31
LiH5O3	LiOH.2H2O	Li-O(H2)	2.03	0.43	0.19	m
		Li-O(H)	1.81	-0.09	0.01
LiH6O3	Li(+)(H2O)3	Li-O	1.98	0.23	0.19	m
BH3O3	Boric acid, B(OH)3	B-O	1.39	0.02	-0.01	m
		O-H	0.98	-0.01	-0.02
		B-O-H	109.99	5.47	7.57
B2O3	Diboron trioxide	B-O	1.33	-0.01	-0.01	g
		B=O	1.20	-0.01	0.00
		O=B-O	173.40	6.53	3.03
		B-O-B	134.20	44.07	8.30
B2H2O3	B2O3H2	B-O(a)	1.38	0.03	0.01	d
		B-O(a)-B	104.00	-0.64	1.92
		B-O(b)	1.36	0.06	0.05
		O(a)-B-O(b)	113.00	-0.42	-2.14
		B-H	1.18	-0.01	-0.01
		H-B-O(a)	126.30	-0.33	0.87
B3H3O3	B3O3H3	B-O	1.38	0.02	0.00	ooo
		B-H	1.19	-0.01	-0.02
BC3H9O3	Trimethoxyborane	B-O	1.38	0.03	0.01	ppp
NHO3	Nitric acid	N=O	1.21	0.00	0.00	a
		O=N=O	130.00	1.62	3.25
		N-O	1.41	0.00	0.01
		O-H	0.96	0.04	0.05
		N-O-H	102.00	6.92	7.74
N2O3	Dinitrogen trioxide	N-N	2.08	-0.57	-0.53	a
		N-O	1.12	0.04	0.04
		N-NO-	110.00	5.32	5.83
		N-O'	1.18	0.04	0.04
		O'-N-O'	134.00	-5.61	-3.96
C10N2H16O3	Pro-pro	Phi	-60.59	-10.48	-13.82	m
		Psi	162.73	3.76	-4.98
C10N2H20O3	Val-val	Phi	-126.54	7.13	23.50	m
		Psi	122.98	22.55	23.58
C12N2H24O3	Ile-ile	Phi	-150.20	7.98	59.35	m
		Psi	124.21	17.93	20.29
C21N2H20O3	Naphthoquinone dye (Torsion angl	C-C-C-C	43.12	-1.05	-1.37	ee
LiH8O4	Li(+)(H2O)4	Li-O	2.02	0.26	0.19	m
LiH8O4	Li(I)(H2O)4(+) (BADTUV10)	Li-O	1.91	0.39	0.32	jj
		O-Li-O	108.75	1.22	1.02
BH4O4	B(OH)4, anion	B-O	1.51	0.00	-0.03	m
		O-H	0.97	-0.03	-0.04
		B-O-H	103.66	4.17	6.16
BC2H6O4	(C2H4)BO4H2, anion	B-O	1.54	-0.02	-0.04	m
		B-O	1.51	0.01	-0.01
		B-O	1.47	0.02	-0.02
		B-O	1.50	0.00	-0.03
		O-C	1.41	-0.02	-0.01
		C-O-B	107.61	-0.43	0.62
BeC10H14O4	Be(II)O4 (ACACBE02)	Be-O	1.62	0.00	0.01	jj
		O-Be-O	107.52	9.12	0.54
BeC12H8O4	Be(II)O4(2-) (YAMBOD)	Be-O	1.64	0.01	0.03	jj
		O-Be-O	99.81	3.39	-0.73
Li2C16H26O4	Li(I)2(Cp)2O4 (DANPOX)	Li-Li	4.35	-0.12	0.12	jj
		Li-C	2.28	-0.03	0.08
		C-Li-Li	18.72	0.76	-0.19
		Li-O	2.02	0.20	0.21
N2O4	Dinitrogen tetroxide	N-N	1.75	-0.19	-0.12	a
		N-O	1.18	0.02	0.02
		O-N-N	113.15	0.87	0.18
LiCH5O5	LiHCO3.2H2O	Li-C	2.78	0.00	0.00	m
LiNH4O5	LiNO3.2H2O	Li-O	2.06	0.01	0.08	m
		O-N	1.31	-0.04	-0.03
		N-O-Li	88.66	2.66	5.80
LiH12O6	Li(+)(H2O)6	Li-O	2.25	0.00	0.00	m
BC6H9O6	Tri-acetyl borate	B-O	1.39	0.02	0.00	m
		C-O	1.40	-0.05	-0.02
		B-O-C	128.17	-2.83	0.30
LiC12H30O6	Li(I)O6(+) (COLGEP)	Li-O	2.09	0.16	0.20	jj
		Li-O	2.19	0.06	0.10
		O-Li-O	76.42	-0.83	-1.58
LiC12H30O6	Li(I)O6(+) (LOLNOP01)	Li-O	2.17	0.09	0.10	jj
LiC6NH10O6	Li(I)O4 (FECWIT)	Li-O	1.92	0.05	0.14	jj
		Li-O	1.97	0.37	0.30
		O-Li-O	113.84	-9.16	-13.02
CN3HO6	Trinitromethane	C-N	1.50	0.02	0.05	qqq
		N-C-N	110.70	-1.95	-3.35
		N=O	1.22	-0.01	-0.02
BeC6H4O8	Be(II)O4(2-) (MALBEK)	Be-O	1.62	0.00	0.01	jj
		O-Be-O	109.26	0.46	-2.65
BeC10N2H12O8	Beryllium (EDTA)	Be-N	2.23	-0.03	0.33	m
		Be-O	1.79	-0.12	-0.15
C5N4H8O12	Pentaerythritol tetranitrate	C-C	1.54	0.00	0.01	rrr
		C-O	1.43	-0.01	0.02
		C-C-O	107.50	-1.17	-0.30
		C-H	1.03	0.08	0.08
		O-N	1.40	0.02	0.04
		N-O-C	115.90	0.97	1.65
		N-O	1.22	-0.02	-0.03
		N-O	1.21	0.00	-0.01
		O-N-O	128.80	-11.04	-12.50
HF	Hydrogen fluoride	H-F	0.92	-0.02	0.05	sss
FHe	Helium fluoride anion	He-F	2.89	-0.09	-0.08	b
LiF	Lithium fluoride	Li-F	1.56	-0.16	-0.20	a
BeF	Beryllium fluoride	Be-F	1.36	-0.02	0.03	a
BF	BF	B-F	1.26	0.03	0.02	d
BH2F	BH2F	B-H	1.21	-0.02	-0.02	m
		H-B-H	125.57	-10.28	1.93
		B-F	1.34	-0.02	-0.01
CF	Fluoromethylidyne	C-F	1.27	0.00	-0.01	a
CHF	Fluoromethylene	C-H	1.12	0.00	-0.01	a
		C-F	1.31	-0.02	-0.03
		F-C-H	101.60	7.28	6.41
CH3F	Fluoromethane	C-H	1.10	0.01	0.00	ttt
		C-F	1.38	-0.02	-0.01
		F-C-H	108.50	0.98	1.20
C2HF	Fluoroacetylene	H-C	1.05	-0.02	-0.02	uuu
		C-C	1.20	0.01	0.00
		C-F	1.28	0.00	0.00
C2H3F	Fluoroethylene	C-C	1.33	0.00	-0.01	vvv
		C-H(g)	1.08	0.01	0.01
		C-C-H(g)	127.70	0.26	1.73
		C-H(t)	1.08	-0.01	0.00
		C-C-H(t)	123.90	-0.52	-0.82
		C-H(c)	1.09	-0.01	-0.01
		C-C-H(c)	121.40	2.98	2.95
C3H3F	Fluoroallene	C1-C2	1.30	0.01	0.01	www
		C1-H	1.08	0.01	0.00
		H-C1-C2	124.30	2.71	4.31
		C1-F	1.36	-0.03	-0.02
		F-C1-C2	121.90	-2.71	-3.11
		C2-C3	1.31	-0.01	-0.01
		C3-H	1.09	0.00	0.00
		H-C3-C2	120.80	2.65	2.29
CNF	Cyanogen fluoride	C-N	1.16	-0.01	-0.01	uuu
		C-F	1.26	0.02	0.03
LiH2OF	LiF.H2O	Li-O	1.99	0.44	0.38	m
		Li-F	1.66	-0.23	-0.25
NOF	Nitrosyl fluoride	N-F	1.52	0.00	0.00	a
		N-O	1.13	0.00	0.00
		F-N-O	110.20	0.00	0.00
BH2O2F	Fluorodihydroxyborane	B-O	1.36	0.03	0.00	g
		B-O	1.36	0.03	0.00
		O-B-O	120.80	-1.32	0.61
		B-F	1.32	-0.01	0.00
		F-B-O	118.20	-0.09	-0.84
		O-H	0.94	0.03	0.01
LiH10O5F	Li(+)(H2O)5.F	Li-O	2.28	1.14	0.05	m
		Li-F	2.21	-0.14	-0.04
F2	Fluorine	F-F	1.41	0.00	0.02	a
H2F2	Hydrogen fluoride dimer	H'-F	1.87	0.83	1.00	a
		H'-F-H	108.00	5.65	8.27
Li2F2	Lithium fluoride dimer	Li-F	1.78	-0.16	-0.07	m
		F-Li-F	1.78	-0.16	-0.07
BeF2	Beryllium difluoride	Be-F	1.40	-0.04	-0.01	a
BHF2	HBF2	B-H	1.19	0.00	-0.01	ppp
		B-F	1.31	0.01	0.02
		F-B-F	118.00	-5.16	-9.20
CF2	Difluoromethylene	C-F	1.30	0.00	0.00	a
		F-C-F	104.90	-0.42	-0.02
BC6H5F2	Phenyldifluoroborane	B-F	1.33	-0.01	0.00	xxx
		F-B-F	116.00	-2.55	-6.77
		B-C	1.55	0.01	0.00
BNH2F2	Aminodifluoroborane	B-F	1.32	0.01	0.01	d
		F-B-F	117.90	-4.25	-6.64
		B-N	1.40	-0.01	0.01
		N-H	1.00	-0.01	0.00
		H-N-H	116.90	-4.28	-1.85
CN2F2	NF2-CN	N-C	1.39	0.02	0.03	yyy
		N-C	1.16	0.00	0.00
		C-F	1.40	-0.02	-0.01
		F-N-C	105.40	2.14	1.73
OF2	F2O	O-F	1.41	0.00	0.00	a
		F-O-F	103.17	-3.68	-5.31
BOF2	Boron difluoride oxide radical	B-O	1.40	-0.02	-0.03	g
		B-F	1.30	0.01	0.02
		F-B-F	119.02	0.35	0.27
BHOF2	F2BOH	B-F	1.31	0.00	0.00	d
		B-O	1.34	0.04	0.01
		F-B-O	123.00	-4.69	-4.51
		F-B-F	118.00	1.02	1.04
		O-H	0.94	0.02	0.00
		H-O-B	114.00	6.81	10.48
COF2	Carbonyl difluoride	C-O	1.17	0.01	0.01	a
		C-F	1.31	0.00	0.00
		F-C-O	126.00	0.35	0.19
BF3	Boron trifluoride	B-F	1.31	0.00	0.00	zzz
CHF3	Trifluoromethane	C-H	1.10	0.04	0.01	a
		C-F	1.33	0.00	0.01
		F-C-H	110.33	3.82	3.83
NF3	Nitrogen trifluoride	N-F	1.37	-0.01	0.01	a
		F-N-F	102.15	-1.21	-1.73
C2NF3	Trifluoroacetonitrile	C-C	1.46	0.01	0.01	a
		C-F	1.33	0.00	0.00
		C-C-F	111.38	1.71	2.06
		C-N	1.15	0.00	0.00
BHOF3	BF3OH, anion	B-F	1.45	-0.07	-0.07	m
		F-B-F	106.45	1.17	0.70
		B-O	1.47	0.03	-0.02
		O-H	0.97	-0.03	-0.05
		B-O-H	104.88	7.27	11.64
BeF4	Be(II)F4(2-) (KIPPEE)	Be-F	1.54	-0.06	-0.05	jj
BF4	Fluoroboric acid anion	B-F	1.43	-0.05	-0.06	m
B2F4	B2F4	B-B	1.72	-0.07	-0.05	g
		B-F	1.32	0.00	0.00
		F-B-B	121.40	-0.67	1.34
CF4	Carbon tetrafluoride	C-F	1.32	0.00	0.00	aaaa
C2F4	Tetrafluoroethylene	C-C	1.31	0.03	0.02	vvv
		C-F	1.32	-0.01	0.00
		F-C-C	123.80	1.53	2.20
C2F6	Hexafluoroethane	C-C	1.54	0.03	0.02	bbbb
		C-F	1.31	0.01	0.02
		F-C-C	109.76	2.27	3.63
C2OF6	Dimethyl perfluoroether	C-O-C	119.95	-1.88	4.38	m
C3F8	Perfluoropropane	C-C	1.55	0.02	0.01	bbbb
		C-C-C	115.73	-2.30	-0.61
		C-F	1.31	0.01	0.02
		F-C-C	110.66	1.42	2.82
C3O2F8	Perfluorodimethoxymethane	C1-O	1.36	0.03	0.04	bbbb
		O-C2	1.36	0.04	0.04
		C1-O-C2	123.31	-5.94	0.03
		C1-F	1.30	0.01	0.01
C4F10	Perfluoro-n-butane	C1-C2	1.55	0.01	0.01	bbbb
		C2-C3	1.55	0.01	0.01
		C-C-C	115.00	-1.43	0.68
		C1-F	1.31	0.01	0.02
		F-C1-C2	108.46	3.84	4.83
FNe	Neon fluoride anion	Ne-F	2.70	0.75	0.61	b
NaH	Sodium hydride	Na-H	1.89	-0.38	-0.60	cccc
NaHe	Helium Sodium cation	He-Na	2.54	-0.91	-0.26	b
NaLi	Na-Li, complex	Na-Li	3.00	-1.49	-1.41	b
NaCH3	Sodium methyl	Na-C	2.12	-0.05	0.03	dddd
NaC5H5	Sodium cyclopentadienide	Na-C	2.50	-0.03	0.10	ee
NaCN	Sodium cyanide	Na-C	2.01	0.02	0.05	eeee
NaO	Sodium oxide (NaO)	Na-O	2.05	0.00	-0.04	vv
NaHO	Sodium hydroxide	Na-O	1.93	0.08	0.03	qqq
		O-H	0.97	-0.10	-0.10
NaH3O2	NaOH.H2O	Na-O(H)	1.97	0.06	0.01	m
		Na-O(H2)	2.35	0.35	0.71
NaH4O2	Na(+)(H2O)2	Na-O	2.29	0.11	0.40	m
NaBO2	NaBO2	Na-O	2.14	-0.08	-0.07	a
		O-B	1.36	-0.07	-0.09
		Na-O-B	100.00	19.03	80.35
		B=O	1.20	0.01	0.02
NaH5O3	NaOH.(H2O)2	Na-O(H2)	2.25	0.52	-0.12	m
		Na-O(H)	2.18	-0.06	-0.05
NaH6O3	Na(+)(H2O)3	Na-O	2.31	0.16	0.47	m
NaH8O4	Na(+)(H2O)4	Na-O	2.35	0.18	0.50	m
NaCH5O5	NaHCO3.(H2O)2	Na-O(H2)	2.41	0.17	0.29	m
		Na-C	2.65	0.00	0.28
NaNH4O5	NaNO3.(H2O)2	Na-O(NO2)	2.34	0.01	0.12	m
		N-O	1.30	-0.02	-0.03
		N-O-Na	93.18	3.88	3.57
NaH12O6	Na(+)(H2O)6	Na-O	2.48	-0.19	0.02	m
NaF	Sodium fluoride (NaF)	Na-F	1.93	0.01	0.03	cccc
NaNe	Neon sodium cation	Ne-Na	2.40	1.74	0.20	b
Na2	Sodium, dimer	Na-Na	3.08	-1.07	2.25	a
Na2O	Sodium oxide, Na2O	Na-O	1.99	-0.04	-0.04	ffff
Na2F2	Sodium fluoride, dimer	Na-F	2.08	-0.01	-0.05	gggg
		F-Na-F	95.20	-7.38	48.57
MgH	Magnesium hydride	Mg-H	1.73	-0.05	-0.01	a
MgH2	Magnesium hydride	Mg-H	1.70	-0.01	0.03	hhhh
MgCH4	Methyl magnesium hydride	Mg-C	2.10	-0.02	0.00	hhhh
		Mg-C-H	112.00	-4.09	-3.07
		Mg-H	1.71	-0.03	0.00
MgC2H2	MgH(CCH)	Mg-H	1.70	-0.02	0.01	hhhh
		Mg-C	2.04	-0.03	-0.02
MgC2H6	Dimethylmagnesium	Mg-C	2.10	-0.04	-0.01	hhhh
		Mg-C-H	112.00	-3.74	-2.71
MgC4H10	Mg(II)C2 (GIMNIZ)	Mg-C	2.10	-0.04	-0.01	jj
MgC10H10	Dicyclopentadienyl magnesium	Mg-Cp	2.01	0.17	0.07	hhhh
MgNH3	MgHNH2	Mg-N	1.90	0.22	-0.01	hhhh
		Mg-H	1.70	-0.02	0.00
		N-H	1.01	-0.03	-0.02
		Mg-N-H	127.00	-1.83	-2.92
MgCNH	Magnesium hydride cyanide	Mg-H	1.69	-0.01	0.01	hhhh
		Mg-C	2.06	0.00	-0.01
MgN2H4	Diamino magnesium	Mg-N	1.93	0.20	-0.01	hhhh
		Mg-N-H	116.00	-4.50	-1.92
MgC2N2	Magnesium cyanide	Mg-C	2.04	-0.01	-0.01	hhhh
MgC8N2H22	Mg(II)C2N2 (MEENMG)	Mg-N	2.26	1.23	-0.04	jj
		N-Mg-N	81.54	-18.08	2.23
		Mg-C	2.17	-0.09	-0.03
MgC15N4H35	Mg(II)N4C(+) (FIZREM)	Mg-C	2.14	-0.07	0.01	jj
		Mg-N	2.21	0.40	-0.01
		N-Mg-C	110.64	16.20	3.44
		Mg-N	2.25	0.51	-0.02
MgC12N6H18	Mg(II)N6(2+) (DOTZIV)	Mg-N	2.17	0.35	-0.02	jj
MgO	Magnesium oxide	Mg-O	1.75	-0.22	-0.12	a
MgH2O	Magnesium hydride hydroxide	Mg-H	1.71	-0.03	-0.02	hhhh
		Mg-O	1.77	-0.04	-0.04
MgCNHO	Magnesium cyanide hydroxide	Mg-C	2.05	-0.03	-0.04	hhhh
		Mg-O	1.76	-0.06	-0.04
MgH2O2	Magnesium di-hydroxide	Mg-O	1.77	-0.05	-0.04	hhhh
MgC10H22O2	Mg(II)C2O2 (DOBXIB)	Mg-O	2.07	0.15	0.04	jj
		Mg-C	2.14	-0.03	-0.01
MgC18H26O2	Mg(II)(Cp)CO2 (HUXSAU)	Mg-O	2.09	0.02	-0.05	jj
		O-Mg-O	90.14	-10.42	-8.46
		Mg-C(Cp)	2.42	-0.21	-0.24
		Mg-C	2.28	-0.06	-0.02
MgNHO2	MgHNO2	Mg-N	2.08	0.72	0.63	hhhh
		O-N-O	118.00	31.08	35.04
		Mg-H	1.67	0.01	0.02
MgNHO2	MgH(ONO)	Mg-H	1.67	0.01	0.02	hhhh
		Mg-O	2.08	-0.21	-0.24
		Mg-O-N	90.00	31.33	26.37
MgH8O4	Mg(II)O4(2+) (INSMGC)	Mg-O	2.03	-0.02	-0.05	jj
		O-Mg-O	91.83	13.58	15.95
MgC10H14O4	Magnesium di-acetylacetonate	Mg-O	1.97	-0.05	-0.05	m
		O-Mg-O	93.59	5.11	3.89
MgC16N5H11O4	MgN3O2	Mg-O	2.21	-0.13	-0.08	m
		Mg-O	2.00	-0.06	-0.01
		O-Mg-O	79.43	3.62	1.43
		Mg-N	2.03	0.28	-0.05
		Mg-N	2.20	0.32	-0.08
		Mg-N	2.43	0.03	0.02
MgH10O6	Mg(OH)2.4(H2O)	Mg-O(H)	2.02	-0.09	-0.07	m
		Mg-O(H2)	2.22	0.02	-0.07
MgH11O6	Mg(II)(H2O)5.OH	Mg-O(H2)	2.11	0.05	-0.02	m
		Mg-O(H)	1.98	-0.15	-0.11
MgH12O6	Mg(++)(H2O)6	Mg-O	2.14	-0.04	-0.08	m
MgC10H18O6	Mg(II)O6 (DACAMG)	Mg-O	2.04	-0.07	-0.02	jj
		O-Mg-O	89.05	9.63	4.77
		Mg-O	2.15	0.38	0.04
MgC4H14O8	Mg(II)O6 (FELGUY)	Mg-O	2.06	0.14	0.13	jj
		O-Mg-O	90.19	22.98	17.27
MgC10N2H12O8	Magnesium EDTA (=)	Mg-N	2.31	0.35	-0.13	m
		Mg-O	2.08	-0.09	-0.05
MgC12H9O9	Mg(II)O6(-) (GAPSEV)	Mg-O	2.09	-0.04	-0.02	jj
		Mg-O	2.06	-0.01	0.00
		O-Mg-O	85.03	5.90	5.13
MgC10N4H10O10	Mg(II)O6 (DAVGAI)	Mg-O	2.04	-0.11	-0.09	jj
		O-Mg-O	87.53	-3.08	-2.17
		Mg-O	2.11	0.11	0.04
MgC8H14O12	Mg(II)O6 (BESXON)	Mg-O	2.10	0.01	-0.04	jj
		Mg-O	2.04	-0.13	-0.11
		O-Mg-O	76.44	5.03	4.20
MgF	Magnesium fluoride	Mg-F	1.75	-0.04	0.08	a
MgHF	Magnesium hydride fluoride	Mg-H	1.69	-0.01	0.00	hhhh
		Mg-F	1.77	-0.03	0.06
MgCH3F	Methyl magnesium fluoride	Mg-C	2.08	-0.03	-0.01	hhhh
		Mg-C-H	111.00	-2.25	-2.16
		Mg-F	1.78	-0.05	0.05
MgF2	Magnesium difluoride	Mg-F	1.77	-0.04	0.06	iiii
Mg2	Magnesium, dimer	Mg-Mg	3.89	-0.14	-2.19	a
Mg2F4	Magnesium difluoride, dimer	Mg-F	1.94	-0.05	-0.02	m
		Mg-F	1.78	-0.04	0.05
AlH	AlH	Al-H	1.65	-0.02	-0.04	a
AlC3H9	Trimethyl aluminum	Al-C	1.98	0.03	-0.03	m
AlC4H12	Al(III)C4(-) (CUVMAH)	Al-C	2.02	0.09	0.00	jj
AlC3NH12	Al(III)C3N (LINZOX)	Al-N	2.00	-0.05	0.09	jj
		Al-C	1.95	0.14	0.03
		N-Al-C	101.15	3.43	-1.18
AlC5NH12	Al(III)C3N (ANTMAL)	Al-C	2.02	0.03	-0.05	jj
		Al-N	2.02	-0.04	0.01
		N-Al-C	101.50	1.01	-2.24
AlO	AlO	Al-O	1.62	0.00	-0.08	a
AlC5H12O2	Al(III)C3O(-) (AACMAL)	Al-O	1.83	-0.03	0.06	jj
		Al-C	2.01	0.10	-0.01
		C-Al-O	105.59	4.09	1.06
AlH10O6	Al(III)(H2O)4(OH)2	Al-O(H)	1.77	-0.01	0.00	m
		Al-O(H2)	2.08	-0.04	-0.04
AlH12O6	Al(III)(H2O)6	Al-O	1.96	-0.02	-0.01	m
AlC10N2H12O8	Aluminum (III) EDTA	Al-N	2.17	0.04	-0.08	m
		Al-O	1.87	0.05	0.01
AlC6O12	Aluminum trisoxalate	Al-O	1.95	0.04	-0.02	m
AlC6HO12	Aluminum trisoxalato H1	Al-O	1.89	0.05	-0.01	m
AlC6H2O12	Aluminum trisoxalato H2	Al-O	1.91	0.07	0.01	m
		Al-O	2.16	-0.06	-0.10
AlC6H3O12	Aluminum trisoxalato H3	Al-O	1.86	0.07	0.02	m
		Al-O	2.04	-0.03	-0.05
AlF	Aluminum fluoride	Al-F	1.65	-0.02	0.00	a
AlF3	Aluminum trifluoride	Al-F	1.63	-0.06	-0.02	a
AlF4	Aluminum tetrafluoride, anion	Al-F	1.69	-0.04	-0.02	a
LiAlF4	LiAlF4	Al-F	1.68	-0.01	0.01	a
AlF6	Al(III)F6(3-) (YAXXAW)	Al-F	1.81	0.01	-0.01	jj
Al2O	Al2O	Al-O	1.73	0.01	-0.02	a
SiH	SiH	Si-H	1.52	-0.09	0.03	a
SiH2	Silylene (singlet)	Si-H	1.52	-0.10	0.02	jjjj
		H-Si-H	92.10	87.63	7.91
SiH4	Silane	Si-H	1.48	-0.02	0.01	a
B5SiH11	B5H8-SiH3	B-Si	1.98	0.00	0.00	g
		B-B	1.71	0.01	-0.01
SiCH6	Methylsilane	Si-H	1.49	-0.03	0.00	qqq
		H-Si-H	108.30	0.45	-0.02
		Si-C	1.87	-0.02	-0.01
SiC4H12	Tetramethylsilane	Si-C	1.88	0.00	0.00	qqq
		Si-C-H	110.98	-0.97	-0.01
SiC8H13	SiC4(-) (FOGMET)	Si-C	1.95	-0.06	-0.06	jj
		Si-C	1.82	-0.01	-0.03
		C-Si-C	108.32	2.11	3.57
SiN	Silicon nitride	SiN	1.57	-0.05	-0.07	a
SiC4NH9	SiC4 (BAWNUI)	Si-C	1.82	-0.03	0.04	jj
		C-Si-C	99.78	9.09	6.78
SiC8NH14	SiC3N(+) (CASKIQ)	Si-N	1.86	0.01	0.05	jj
		Si-C	1.86	0.00	-0.01
		C-Si-N	103.95	3.59	0.65
SiC2H6O2	SiH3O (BAHTAF)	Si-O	1.70	-0.06	-0.06	jj
		Si-H	1.30	0.16	0.16
SiC6NH13O4	SiO4N (BOJLER)	Si-O	1.71	-0.01	0.00	jj
		O-Si-O	92.42	3.75	0.30
		Si-N	2.00	0.10	0.03
SiH3F	Silyl fluoride	Si-F	1.59	-0.02	0.01	g
		Si-H	1.48	-0.02	-0.02
		F-Si-H	107.86	2.25	-0.88
SiCH5F	CH3-SiH2F	Si-F	1.60	-0.03	-0.01	kkkk
		Si-C	1.84	0.01	-0.01
		C-Si-F	109.25	-0.61	0.44
		Si-H	1.48	-0.01	-0.02
		C-Si-H	112.45	-2.89	-0.22
SiF2	Difluorosilylene	Si-F	1.59	-0.02	-0.04	a
		F-Si-F	100.98	-1.71	78.30
SiHF3	Trifluorosilane	Si-H	1.45	0.03	-0.03	a
		Si-F	1.56	0.00	0.00
		F-Si-H	110.64	1.98	-1.00
SiC7N2H9F3	SiF3N2 (CEWVEF)	Si-F	1.60	-0.01	0.01	jj
		F-Si-F	95.06	-0.87	-3.81
		Si-N	1.97	0.09	0.06
SiC2H5OF3	SiF3C (BAZGUF)	Si-F	1.56	0.00	-0.01	jj
		F-Si-F	107.82	0.09	0.04
		Si-C	1.84	0.05	0.03
		C-Si-F	112.60	-0.67	-0.01
SiF4	Tetrafluorosilane	Si-F	1.55	0.00	0.00	a
BSiF5	Trifluorosilyldifluoroborane	Si-B	2.01	0.01	0.00	g
		B-F	1.32	-0.01	0.01
		Si-F	1.57	-0.01	-0.01
SiF6	SiF6(2-) (JIJKOC)	Si-F	1.68	-0.02	-0.02	jj
Si2H6	Disilane	Si-Si	2.33	-0.20	-0.14	llll
		Si-H	1.49	-0.02	0.01
		H-Si-Si	110.30	-1.25	2.07
Si5H10	Cyclopentasilane	Si-Si	2.34	-0.14	-0.13	g
Si5C12H36	Si(SiMe3)4 (GUFMOJ)	Si-Si	2.34	-0.10	-0.13	jj
PH3	Phosphine	P-H	1.42	0.06	0.03	a
		H-P-H	93.83	7.74	6.60
CP	Carbon phosphide	C-P	1.56	-0.10	-0.07	a
CPH	Methinophosphide	C-P	1.54	-0.06	-0.04	a
		H-C	1.07	0.01	-0.02
CPH5	Methylphosphine	C-P	1.86	0.00	0.05	qqq
		P-H	1.42	0.04	0.03
		H-P-C	97.50	7.59	3.56
		H-P-H	93.40	8.71	6.55
C3PH9	Trimethylphosphine	C-P	1.84	0.02	0.07	qqq
		C-P-C	98.90	8.29	2.88
C5PH5	Phosphole	C1-C2	1.38	0.01	0.00	qqq
		C-P	1.73	0.02	0.03
		C2-C3	1.41	-0.02	-0.03
LiC21PN3H33	Li(I)N3P (GEDDOI)	Li-P	2.57	-0.02	1.08	jj
		Li-N	2.15	0.13	0.06
		N-Li-P	118.58	-5.70	-6.64
PO	Phosphorus oxide	P-O	1.48	0.02	0.00	a
C18PH15O	Triphenyl phosphine oxide	P=O	1.52	-0.01	-0.01	m
		P-C	1.85	-0.01	0.01
C2PH4O4	Ethylene phosphate anion	P-O	1.51	-0.02	-0.02	m
		P=O	1.42	0.00	0.00
C2PH6O4	Dimethyl phosphate anion	P=O	1.52	-0.02	-0.02	m
		P-O	1.71	-0.05	0.01
		O=P-O	107.52	4.30	-0.88
		C-O	1.43	0.00	0.00
		P-O-C	114.85	7.14	-2.79
C2PH7O4	Dimethyl hydrogen phosphate	P=O	1.49	-0.02	-0.02	m
		P-O	1.62	0.00	0.02
		O-P=O	116.41	2.70	1.53
		C-O	1.46	-0.01	-0.01
		C-O-P	117.76	1.40	-3.81
C3PH9O4	Trimethyl phosphate	P=O	1.50	-0.02	-0.02	m
		P-O	1.64	-0.01	0.01
		O-P=O	113.19	5.46	3.81
		C-O	1.46	-0.01	-0.01
		C-O-P	118.80	0.73	-4.86
LiC8PH22O4	Li(I)O4P (CEJQAJ)	Li-P	2.60	-0.02	-0.24	jj
		Li-O	2.06	0.15	0.32
		O-Li-P	121.50	-4.91	3.49
		Li-O	2.15	0.15	0.35
C3PN3O4	PO(OCN)3	P=O	1.47	-0.02	-0.03	m
		P-N	1.68	-0.02	0.05
CPH2F	CH2=P-F	P-F	1.60	-0.03	-0.01	mmmm
		C=P	1.64	0.00	0.02
PF3	Phosphorus trifluoride	P-F	1.57	-0.01	-0.01	a
		F-P-F	97.80	-0.69	-1.98
BPH3F3	PH3-BF3	P-B	2.31	-0.16	-0.12	m
		P-H	1.37	-0.02	-0.04
		H-P-H	1.42	0.04	0.03
BPH3F3	PF3-BH3	P-B	1.87	-0.03	0.14	m
		P-F	1.59	-0.06	-0.05
		F-P-B	118.92	0.71	-0.03
		B-H	1.22	-0.01	-0.02
		H-B-P	104.64	11.27	0.07
POF3	Phosphous oxyfluoride	P-F	1.52	0.00	0.00	a
		F-P-F	102.50	-2.60	-3.32
		P-O	1.45	0.00	0.00
PF5	Phosphorus pentafluoride	P-F(ax)	1.58	-0.02	-0.03	a
		P-F(eq)	1.53	0.00	0.00
P2	Phosphorus dimer	P-P	1.86	-0.07	-0.04	nnnn
P2H4O7	Pyrophosphoric acid	P-O(P)	1.64	-0.01	0.02	m
		P-O(H)	1.63	-0.02	-0.01
		O-P-O	106.84	-2.38	2.87
		P=O	1.48	-0.02	-0.03
		P-O-P	119.29	-0.80	-3.31
P2F4	P2F4	P-P	2.28	-0.10	-0.04	oooo
		P-F	1.59	-0.01	-0.01
		P-P-F	95.40	0.72	-0.59
CP3H7O10	Methyl triphosphate	P-O(H)	1.62	-0.01	0.01	m
		P-O(C)	1.60	0.02	0.02
		P=O	1.49	-0.02	0.01
		C-O	1.46	-0.01	0.00
		P-O-C	118.67	-1.05	-5.53
P4	Phosphorus tetramer	P-P	2.21	-0.02	0.05	a
P4O6	Phosphorus trioxide	PO	1.65	0.03	0.06	a
		OPO	99.00	5.18	0.37
P4O10	Phosphorus pentoxide	P-O	1.60	0.03	0.05	a
		O-P-O	101.00	6.33	-3.42
MgC4P4H16O16	Mg(II)O6(2-) (FAPSIY)	Mg-O	2.05	-0.04	0.00	jj
		O-Mg-O	93.54	33.42	4.44
		Mg-O	2.15	0.53	0.13
H2S	Hydrogen sulfide	H-S	1.33	0.01	0.02	a
		H-S-H	92.20	4.76	2.82
BeS	Beryllium sulfide	Be-S	1.74	0.04	-0.01	a
BHS	S=B-H	B-H	1.17	-0.01	0.00	g
		B=S	1.60	-0.02	-0.01
CS	Carbon sulfide	CS	1.53	-0.02	-0.01	pppp
CH2S	Thioformaldehyde	C-S	1.61	-0.04	-0.03	ggg
		C-H	1.09	0.00	0.00
		H-C-S	121.56	2.95	2.51
CH4S	Thiomethanol	C-S	1.82	0.00	0.00	qqqq
		S-H	1.33	0.00	0.00
		H-S-C	100.30	0.00	0.00
		H-C-S-H	180.00	0.00	0.00
BCH3S	CH3-B=S	B-C	1.53	0.00	-0.01	g
		C-H	1.11	-0.01	-0.01
		H-C-B	110.30	1.31	0.08
		B=S	1.60	-0.02	-0.01
C2H4S	Thioacetaldehyde	C-S	1.61	-0.02	-0.01	oooo
		C-C-S	125.30	-0.33	-1.84
C2H6S	Thioethanol	C-S	1.82	0.03	0.01	oooo
		S-H	1.32	0.02	0.03
		H-S-C	96.20	3.16	3.02
C2H6S	Dimethyl thioether	C-S	1.80	0.02	0.00	qqq
		C-S-C	98.90	3.24	3.40
		H-C-S	106.60	3.45	3.25
		H'-C-S	62.03	-0.68	-0.57
C4H4S	Thiophene	C-S	1.71	0.03	0.03	rrrr
		C-C-S	92.20	0.35	0.91
		C3-C2	1.37	-0.01	-0.01
		C-C-C	111.50	-0.97	-1.42
NS	Sulfur nitride	S-N	1.50	0.00	-0.04	a
C2NH3S	Methyl isothiocyanate	C-N	1.48	-0.06	-0.04	ssss
		C=N	1.19	0.00	0.00
		C-N=C	141.60	9.06	12.06
		C-S	1.60	-0.03	-0.02
C2H6SO	Dimethyl sulfoxide	S-C	1.86	-0.03	-0.04	m
		C-S-C	95.67	2.35	2.29
		S=O	1.53	-0.04	-0.04
SO2	Sulfur dioxide	S-O	1.43	-0.01	-0.03	a
		O-S-O	119.53	8.73	20.45
C2H6SO2	Dimethyl sulfone	S-C	1.83	-0.05	-0.08	m
		C-S-C	102.83	1.94	0.85
		S=O	1.48	-0.04	-0.03
SO3	Sulfur trioxide	S-O	1.43	-0.01	-0.01	a
C2H6SO3	Dimethyl sulfite	S-O	1.70	-0.04	-0.03	m
		O-S-O	100.75	-0.66	-0.03
		C-O	1.45	-0.05	-0.02
		C-O-S	117.42	5.95	2.81
LiC10NH18SO3	Li(I)O3N (FOBHEJ)	Li-N	1.96	0.03	0.00	jj
		Li-O	1.95	0.20	0.25
		O-Li-N	121.88	6.90	4.61
H2SO4	Sulfuric acid	S-O	1.63	0.01	0.03	ee
		S=O	1.45	-0.02	-0.03
		O-H	0.97	0.00	0.01
		S-O-H	107.90	8.88	8.56
C2H6SO4	Dimethyl sulfate	S=O	1.46	-0.03	-0.04	m
		O=S=O	123.84	-0.34	1.25
		S-O	1.66	0.00	0.02
		C-O	1.46	-0.05	-0.03
		C-O-S	115.36	3.54	0.80
LiC9NH16SO4	Li(I)O4N (BARVOF)	S-C	1.63	-0.01	0.00	jj
		C-N	1.15	0.02	0.02
		N-Li	1.97	-0.03	-0.05
		Li-O	2.08	0.19	0.27
		O-Li-N	114.15	3.79	3.68
LiC13NH24SO4	Li(I)O4N (BARVIZ)	Li-N	2.04	0.07	0.04	jj
		Li-O	2.07	0.21	0.28
		O-Li-N	107.19	-8.77	-8.00
LiH5SO6	LiHSO4.2H2O	Li-S	2.67	0.30	0.33	m
CH3SO3F	Methyl fluorosulfate	S=O	1.41	0.02	0.01	g
		O=S=O	124.40	-0.50	1.18
		S-F	1.54	-0.01	0.00
		F-S=O	106.80	0.33	-0.24
		O-S=O	109.50	-0.61	0.14
		C-O	1.42	-0.01	0.02
		C-O-S	116.50	3.04	1.17
SF2	Sulfur difluoride	S-F	1.59	-0.02	-0.01	a
		F-S-F	98.20	-0.30	-1.80
CSF2	Thiocarbonyl difluoride	C-S	1.59	0.00	-0.01	qqq
		C-F	1.31	0.00	0.00
		F-C-S	126.45	1.62	0.66
SOF2	Thionyl fluoride	S-O	1.41	0.03	0.02	a
		S-F	1.58	-0.01	0.00
		F-S-O	106.82	0.20	0.70
		F-S-F	92.82	-1.11	-3.65
SO2F2	Sulfuryl fluoride	S-F	1.53	0.00	0.01	a
		F-S-F	96.12	-0.34	-1.62
		S-O	1.41	0.01	0.00
		O-S-O	123.97	0.66	2.86
SF4	Sulfur tetrafluoride	S-F	1.54	0.06	0.10	a
		F-S-F	1.65	-0.11	-0.14
		S-F'	87.54	2.56	2.36
		F'-S-F'	44.54	-3.50	-4.48
SOF4	Sulfur oxide tetrafluoride	S=O	1.40	0.01	0.00	yyy
		S-F(a)	1.57	0.00	0.01
		F(a)-S=O	90.70	11.33	9.85
		S-F(b)	1.55	0.00	0.01
		F(b)-S=O	124.90	-6.64	-4.39
CNSOF5	Pentafluoro(isocyanato)sulfur	S-F	1.57	-0.01	-0.01	g
		N=C	1.23	-0.01	-0.01
		S-N=C	124.90	18.85	21.14
		C=O	1.18	-0.01	-0.01
		N=C=O	173.80	-3.80	-2.78
SF6	Sulfur hexafluoride	S-F	1.56	-0.01	-0.01	a
NaH5SO6	NaHSO4.(H2O)2	Na-S	2.93	0.00	0.00	m
MgS	Magnesium sulfide	Mg-S	2.14	-0.13	0.02	a
SiCH6S	CH3-S-SiH3	C-S	1.82	0.02	0.00	tttt
		S-Si	2.13	-0.01	0.03
		C-S-Si	98.33	7.00	8.41
		Si-H	1.48	-0.02	0.00
		C-H	1.09	0.01	0.01
SiC9H21SO3	SiC3S(-) (ITIBOC)	Si-S	2.06	-0.05	-0.08	jj
		Si-O	1.59	0.09	0.00
		O-Si-S	114.36	2.92	-3.06
PSF3	Thiophosphoryl fluoride	P=S	1.85	0.01	0.01	oooo
		P-F	1.54	0.00	0.00
S2	Sulfur dimer	S-S	1.89	-0.07	-0.01	a
H2S2	H2S2	S-S	2.06	-0.04	0.01	uuuu
		S-H	1.33	0.01	0.02
		H-S-S	91.30	14.14	10.45
		H-S-S-H	90.50	0.32	0.16
CS2	Carbon disulfide	C-S	1.55	-0.03	-0.02	qqq
C2H6S2	2,3-Dithiabutane	C-S	1.81	0.01	-0.01	vvvv
		S-S	2.04	-0.05	0.01
		C-S-S	102.80	7.19	3.29
		C-S-S-C	84.70	0.84	0.42
		CS	1.81	0.01	-0.01	qqq
		SS	2.04	-0.05	0.01
		SSC	102.80	6.93	3.00
		CSSC	1.81	0.01	-0.01
LiC21NH26S2O2	Li(I)O2S2 (YUBVUM)	Li-S	2.45	0.00	0.02	jj
		Li-N	2.65	0.00	0.00
		N-Li-S	108.83	-1.43	-0.35
C6N2H12S2O3	Cys-cys	Phi	-151.48	21.43	18.64	m
		Psi	22.02	-2.31	29.58
C10N2H20S2O3	Met-met	Phi	-122.73	-1.90	-0.45	m
		Psi	154.54	12.21	12.31
S2F2	FSSF	S-F	1.64	-0.08	-0.06	a
		S-S	1.89	-0.07	0.06
		F-S-S	108.30	13.84	1.09
		F-S-S-F	87.90	5.13	0.74
S2F2	SSF2	S-S	1.86	0.00	0.05	a
		S-F	1.60	-0.02	-0.02
		F-S-S	107.50	4.13	0.44
		F-S-F	92.50	-2.37	-2.52
MgH4S2	Magnesium dithiol	Mg-S	2.29	-0.37	0.04	hhhh
MgH12S2O4	Mg(II)(H2O)4(H2S)2	Mg-O	2.13	0.11	-0.04	m
		Mg-S	2.72	-0.41	-0.43
MgC10N2H12S2O4	Mg(II)S2O4 (KIWSEO)	Mg-S	2.59	-0.25	-0.26	jj
		Mg-O	2.03	0.26	0.05
		O-Mg-S	77.67	0.26	3.82
MgC20N2H22S2O2	Mg(II)S2N2O2 (EHUFUI)	Mg-S	2.61	-0.40	-0.17	jj
		Mg-N	2.15	1.14	0.02
		N-Mg-S	65.82	-11.79	1.41
		Mg-O	2.07	0.05	0.00
SiC8H10S2	SiC2S2 (GUMZUJ)	Si-S	2.15	-0.02	0.01	jj
		S-Si-S	98.19	2.78	-0.11
		Si-C	1.84	0.03	0.01
SiC17NH17S2O4	SiO2S2N (EBUPIA)	Si-S	2.16	0.00	-0.01	jj
		Si-O	1.76	0.00	-0.02
		O-Si-S	94.53	-0.54	-3.01
		Si-C	1.91	0.07	0.04
Si2C4H12S2	Si2C4S2 (CADLOI)	Si-Si	2.84	0.04	-0.11	jj
		Si-C	1.85	0.02	0.00
		C-Si-Si	124.39	1.54	0.33
		Si-S	2.15	0.00	0.00
		S-Si-Si	48.78	-0.66	1.77
SiC4H8S4	SiS4 (DANCUQ)	Si-S	2.12	0.00	0.03	jj
		S-Si-S	104.65	5.96	5.65
S6	S6	S-S	2.06	-0.02	0.00	wwww
		S-S-S	102.20	5.20	4.92
		S-S-S-S	74.50	-9.75	-9.17
Si4C4H12S6	SiS3C (MSISUL10)	Si-C	1.83	0.03	0.01	jj
		Si-S	2.12	0.01	0.02
		S-Si-C	106.17	0.19	1.50
S8	S8	S-S	2.05	-0.05	-0.01	xxxx
		S-S-S	107.90	6.36	5.73
		S-S-S-S	98.60	-7.64	-7.16
HCl	Hydrogen chloride	HCl	1.27	0.00	0.02	a
ClHe	Helium chloride anion	He-Cl	4.45	-0.52	-0.49	b
LiCl	Lithium chloride	Li-Cl	2.02	0.00	0.03	a
BH2Cl	BH2Cl	B-Cl	1.76	-0.03	0.00	m
		B-H	1.20	-0.02	-0.02
B2H5Cl	Chlorodiborane	BB	1.77	-0.08	-0.05	g
		BHb	1.33	0.02	0.00
		B-Cl	1.77	0.00	0.01
		B-B-Cl	120.90	6.90	-0.85
CHCl	Chloromethylene	C-H	1.12	-0.02	-0.03	a
		C-Cl	1.69	0.02	0.00
		Cl-C-H	103.40	5.26	9.02
CH3Cl	Chloromethane	C-Cl	1.78	-0.01	0.00	a
		C-H	1.10	0.00	0.00
		H-C-Cl	110.90	-2.59	-1.64
C2HCl	Chloroacetylene	H-C	1.05	-0.02	-0.02	yyyy
		C-C	1.20	0.01	0.00
		C-Cl	1.64	-0.04	-0.03
C2H5Cl	Chloroethane	C-Cl	1.80	-0.01	0.00	oooo
		C-C-Cl	110.70	-1.94	-1.49
C3H5Cl	2-Chloropropene	C-Cl	1.74	-0.01	0.01	oooo
		C=C-Cl	119.00	-0.62	0.14
C3H7Cl	1-Chloropropane	C-Cl	1.80	-0.01	0.00	oooo
		C-C-Cl	111.30	-2.71	-2.60
C3H7Cl	2-Chloropropane	C-Cl	1.81	0.00	0.01	oooo
		C-C-Cl	109.00	-1.86	-1.62
C4H9Cl	2-Chloro-2-methylpropane	C-Cl	1.83	0.00	0.02	oooo
		C-C-Cl	111.70	-5.77	-5.95
BeC5H5Cl	Be(II)(Cp)Cl (JEFKIO)	Be-Cl	1.87	-0.04	-0.05	jj
		Be-C	1.87	0.04	0.08
		Cl-Be-C	141.90	-0.86	-0.08
BeC5H5Cl	Cyclo C5H5 beryllium chloride	C-H	1.09	-0.02	-0.01	d
		Be-ring	1.49	-0.02	0.04
		Be-Cl	1.84	-0.01	-0.02
C6H5Cl	Chlorobenzene	C-Cl	1.72	-0.01	0.01	oooo
CNCl	Cyanogen Chloride	Cl-C	1.63	-0.01	0.00	yyy
		C-N	1.16	-0.01	-0.01
CNCl	Cyanogen chloride	C-Cl	1.63	-0.01	0.00	oooo
BeC12N3H27Cl	Be(II)N3Cl(+) (VALHEW)	Be-N	1.75	0.00	0.03	jj
		N-Be-N	109.88	-1.31	-0.05
		Be-Cl	2.00	-0.08	-0.07
		Cl-Be-N	104.07	2.67	-0.02
LiC21N3H27Cl	Li(I)N3Cl (GAJYAR)	Li-Cl	2.32	-0.06	-0.01	jj
		Li-N	2.05	0.17	0.17
		N-Li-Cl	112.42	-9.93	-7.02
ClO	Chlorine monoxide	ClO	1.55	0.02	0.04	a
LiClO	Lithium oxychloride	Li-O	1.82	-0.21	-0.18	a
		O-H	1.73	-0.11	-0.08
		Li-O-H	115.00	-5.12	-7.66
LiH2ClO	LiCl.H2O	Li-O	1.95	0.35	0.32	m
		Li-Cl	2.16	-0.12	-0.09
C2H3ClO	Acetyl chloride	C-Cl	1.80	-0.01	0.00	oooo
		C-C-Cl	111.60	0.28	-0.95
NClO	NOCl	Cl-N	1.95	-0.16	-0.18	a
		N-O	1.17	-0.02	-0.01
		C-N-Cl	114.00	1.01	4.66
NClO2	NO2Cl	Cl-N	1.83	0.00	0.00	a
		N-O-Cl	1.21	0.00	0.00
HClO4	HOClO3	Cl=O	1.41	0.03	0.02	yyy
		Cl-O(H)	1.64	-0.04	-0.03
		O-Cl-O(H)	104.10	-0.79	-0.79
LiC8H20ClO4	Li(I)O4Cl (CEJQIR)	Li-Cl	2.39	-0.21	-0.16	jj
		Li-O	2.07	0.16	0.20
		O-Li-Cl	119.57	-2.11	-1.25
LiH10ClO5	Li(+)(H2O)5.Cl	Li-O	2.20	0.22	0.21	m
		Li-Cl	2.95	-0.39	-0.59
LiC8H20ClO8	Li(I)O6 (FIVTEK)	Li-O	2.34	-0.41	-0.29	jj
		Li-O	2.11	0.12	0.20
		O-Li-O	94.05	3.92	10.99
ClF	Chlorine fluoride	ClF	1.63	-0.03	0.01	a
CClOF	Carbonyl chloride fluoride	C=O	1.17	0.01	0.01	yyy
		C-Cl	1.73	-0.01	0.00
		Cl-C-O	127.50	-0.66	0.54
		C-F	1.33	-0.02	0.00
		F-C-Cl	108.80	1.27	3.37
ClO3F	ClO3F	ClF	1.63	-0.01	-0.02	a
		ClO	1.46	-0.03	-0.04
		OClF	95.17	6.82	6.04
BClF2	BClF2	B-F	1.31	-0.01	0.00	d
		B-Cl	1.73	-0.01	0.02
		F-B-F	118.10	-1.36	-4.62
CHClF2	Chlorodifluoromethane	C-H	1.09	0.03	0.02	zzzz
		C-Cl	1.74	0.04	0.05
		Cl-C-H	107.00	3.17	4.39
		C-F	1.35	-0.02	0.00
		F-C-Cl	110.50	-3.36	-0.89
		F-C-Cl-H	120.00	4.44	4.08
ClF3	Chlorine trifluoride	ClF	1.60	0.01	0.03	a
		ClF'	1.70	-0.01	0.00
		FClF'	87.50	-1.40	-2.86
ClF5	Chlorine pentafluoride	Cl-F(ax)	1.57	0.03	0.02	oooo
		Cl-F(eq)	1.67	-0.02	-0.03
		F-Cl-F	86.00	1.47	3.70
ClNe	Neon chloride anion	Ne-Cl	3.80	0.70	0.67	b
NaCl	Sodium chloride	Na-Cl	2.36	0.04	-0.66	a
MgCl	Magnesium chloride	Mg-Cl	2.20	-0.10	0.03	a
MgClF	Magnesium chloride fluoride	Mg-F	1.76	-0.04	0.06	hhhh
		Mg-Cl	2.18	-0.05	-0.01
AlCl	Aluminum chloride	Al-Cl	2.13	-0.04	-0.03	a
SiCl	Chlorosilylidyne	SiCl	2.06	0.03	0.08	a
SiC3H9Cl	SiC3Cl (GUHHAS)	Si-C	1.84	0.02	0.01	jj
		C-Si-C	111.86	-1.81	-0.43
		Si-Cl	2.09	-0.07	-0.04
CH3SCl	CH3SCl	C-S	1.82	-0.02	-0.03	m
		S-Cl	2.09	-0.05	-0.04
Cl2	Chlorine	ClCl	1.99	0.00	-0.01	a
Li2Cl2	Lithium chloride dimer	Li-Cl	2.31	-0.10	-0.06	a
		Li-Cl-Li	106.66	-10.62	-7.66
BeCl2	Beryllium dichloride	Be-Cl	1.77	0.04	0.02	a
BHCl2	BHCl2	B-Cl	1.75	-0.03	-0.01	m
		Cl-B-Cl	121.30	-0.35	-5.59
		B-H	1.20	-0.01	-0.01
CH2Cl2	Dichloromethane	C-Cl	1.77	-0.01	-0.01	aaaa
		Cl-C-Cl	111.80	-2.36	-3.67
		C-H	1.10	0.00	0.01
C2H2Cl2	cis-Dichloroethylene	C=C	1.35	-0.03	-0.02	oooo
		C-Cl	1.72	-0.01	0.00
		C-C-Cl	123.80	-1.65	-1.31
C2H4Cl2	1,1-Dichloroethane	C-Cl	1.77	0.01	0.02	oooo
		C-C-Cl	111.00	-1.29	-0.69
C2H4Cl2	trans-1,2-Dichloroethane	C-Cl	1.79	-0.01	0.00	oooo
		C-C-Cl	109.00	-1.57	-0.85
BeC4N2H6Cl2	Be(II)Cl2N2 (MECYBC)	Be-Cl	1.99	-0.09	-0.04	jj
		Cl-Be-Cl	116.86	6.94	12.86
		Be-N	1.73	0.01	-0.02
BeC8N2H22Cl2	Be(II)Cl2N2 (VALHAS)	Be-Cl	2.01	-0.08	-0.05	jj
		Cl-Be-Cl	114.96	8.84	15.98
		Be-N	1.76	0.00	0.04
Cl2O	Cl2O	Cl-O	1.70	-0.03	-0.01	a
		Cl-O-Cl	110.80	1.42	0.21
CCl2O	Carbonyl chloride	C-O	1.17	0.01	0.02	a
		C-Cl	1.75	-0.02	-0.01
		Cl-C-O	124.35	-0.56	0.69
BeC4H10Cl2O	Be(II)Cl2 (ETBECL)	Be-Cl	1.96	-0.10	-0.09	jj
		Cl-Be-Cl	117.11	13.69	24.89
		Be-O	1.70	-0.04	-0.02
C2Cl2O2	Oxalyl chloride	C-Cl	1.74	-0.01	-0.01	oooo
		C-C-Cl	111.70	0.33	-1.72
BeC8H20Cl2O2	Be(II)Cl2O2 (ETBECL01)	Be-Cl	1.98	-0.07	-0.05	jj
		Cl-Be-Cl	116.61	4.08	15.09
		Be-O	1.68	0.03	0.03
CCl2F2	Dichlorodifluoromethane	C-Cl	1.77	-0.02	0.00	a
		Cl-C-Cl	108.50	3.92	0.40
		C-F	1.33	-0.01	0.02
		F-C-Cl	109.83	-0.27	1.38
Na2Cl2	Sodium chloride, dimer	Na-Cl	2.54	0.02	0.14	gggg
		Cl-Na-Cl	105.00	-13.93	-8.42
MgCl2	Magnesium dichloride	Mg-Cl	2.19	-0.06	0.00	iiii
		Cl-Mg-Cl	180.00	0.00	0.00
MgC8H20Cl2O6	Mg(II)O4Cl2 (CEXWUX10)	Mg-Cl	2.53	-0.25	-0.13	jj
		Mg-O	2.05	0.12	0.07
		O-Mg-Cl	93.76	-5.80	-15.13
Mg2C18H30Cl2O2	Mg(II)2(Cp)2Cl4O2 (LAKLEO)	Mg-Mg	3.43	-0.21	-0.21	jj
		Mg-O	2.03	0.04	-0.04
		O-Mg-Mg	98.16	12.17	3.89
		Mg-C	2.37	-0.18	-0.22
		Mg-Cl	2.42	-0.08	-0.03
SiCl2	Dichlorosilylene	Si-Cl	2.08	-0.18	-0.08	g
		Cl-Si-Cl	102.80	78.31	77.02
SCl2	Sulfur dichloride	S-Cl	2.02	0.01	0.01	a
		Cl-S-Cl	102.73	0.05	1.19
SCl2O	Thionyl chloride	S-O	1.43	0.01	0.00	g
		S-Cl	2.07	-0.01	0.01
		Cl-S-O	108.00	0.24	1.97
SCl2O2	Sulfuryl chloride	S=O	1.42	0.00	-0.01	g
		S-Cl	2.01	0.02	0.05
		O=S-Cl	108.00	-0.21	-0.08
CPH3SCl2O	O-Methyldichlorothiophosphate	P=S	1.92	-0.03	-0.04	g
		P-Cl	2.01	-0.01	0.02
		S=P-Cl	115.90	3.13	3.91
		P-O	1.63	-0.01	0.02
		S=P-O	115.20	-4.69	-3.84
		O-C	1.45	-0.02	0.00
		C-H	1.11	-0.01	-0.02
CPH3SCl2O	S-Methyldichlorothiophosphate	P=O	1.45	0.04	0.03	g
		P-Cl	2.02	-0.02	0.01
		O=P-Cl	115.00	-2.88	-1.11
		P-S	2.10	0.01	-0.01
		O=P-S	115.00	1.09	-0.98
		S-C	1.83	0.01	-0.02
		C-H	1.14	-0.04	-0.04
S2Cl2	ClSSCl	S-Cl	2.06	-0.03	-0.02	a
		S-S	1.93	-0.05	0.02
		Cl-S-S	108.20	7.94	9.77
Li3Cl3	Lithium chloride, trimer (guesse	Li-Cl-Li	120.00	-2.53	-4.87	aaaaa
BCl3	Boron trichloride	B-Cl	1.74	-0.02	-0.01	ppp
CHCl3	Chloroform	C-Cl	1.78	-0.03	-0.03	aaaa
		Cl-C-H	107.50	2.08	2.78
BeC2NH7Cl3	Be(II)Cl3N(-) (FASQUM)	Be-Cl	2.03	-0.08	-0.03	jj
		Cl-Br-Cl	109.56	3.22	3.64
		Be-N	1.75	0.03	0.06
CCl3F	Trichlorofluoromethane	C-F	1.33	0.00	0.03	a
		C-Cl	1.76	-0.01	0.00
AlCl3	Aluminum trichloride	Al-Cl	2.06	-0.06	0.00	a
AlC3NH9Cl3	Al(III)Cl3N (CMAMAL01)	Al-Cl	2.12	-0.06	-0.01	jj
		Cl-Al-Cl	111.90	3.81	3.38
		Al-N	1.95	0.13	0.00
AlC3NH9Cl3	Trimethyamine-Aluminum trichlori	Al-N	1.96	0.12	-0.01	ppp
		Al-Cl	2.12	-0.06	0.00
SiCH3Cl3	Trichloromethylsilane	Si-C	1.85	0.01	-0.03	g
		Si-Cl	2.03	-0.03	-0.01
		C-Si-Cl	110.30	-0.84	-0.70
PCl3	Phosphorus trichloride	P-Cl	2.04	0.00	-0.01	a
		Cl-P-Cl	100.27	0.83	0.28
PCl3O	Phosphorus oxychloride	P=O	1.45	0.03	0.03	oooo
		P-Cl	1.99	-0.01	0.01
		O=P-Cl	114.90	-0.45	0.72
PSCl3	Thiophosphoryl chloride	P=S	1.89	0.02	0.02	oooo
		P-Cl	2.01	0.00	0.01
B2Cl4	B2Cl4	B-B	1.75	-0.12	-0.12	ppp
		B-Cl	1.73	-0.02	-0.01
B4Cl4	B4Cl4	B-B	1.70	-0.04	-0.03	ppp
		B-Cl	1.70	-0.02	0.00
CCl4	Carbon tetrachloride	C-Cl	1.76	-0.01	-0.01	aaaa
C2Cl4	Tetrachloroethylene	C-Cl	1.72	-0.03	-0.02	oooo
		C=C-Cl	124.20	-1.19	-0.97
C6Cl4O2	2,3,5,6-Tetrachloro-1,4-benzoqui	C-Cl	1.70	-0.02	-0.01	oooo
MgCl4	Mg(II)Cl4(2-) (DUPCOG)	Mg-Cl	2.33	-0.02	0.05	jj
AlCl4	Al(III)Cl4(-) (CALZUK)	Al-Cl	2.12	-0.03	0.01	jj
Al2C2H6Cl4	Al(III)CCl3 (MALCLD)	Al-Al	3.23	-0.08	0.08	jj
		Al-Cl	2.25	-0.04	0.01
		Cl-Al-Al	44.54	0.32	-1.48
		Al-C	1.93	0.08	-0.01
Al2C4N2H12Cl4	Al(III)Cl2N2 (MADALC10)	Al-Al	2.73	0.25	0.09	jj
		Al-Cl	2.12	-0.06	-0.01
		Cl-Al-Al	123.36	-0.92	-1.72
		Al-N	1.91	0.09	0.01
		N-Al-Al	44.35	-2.67	-1.57
SiCl4	Silicon tetrachloride	Si-Cl	2.02	-0.02	-0.02	a
SiC10N2H10Cl4	SiCl4N2 (JEPCOW)	Si-Cl	2.18	-0.03	-0.02	jj
		Si-N	1.98	0.01	-0.02
Si2CNH5Cl4	Si2Cl6H2N (GILQEX)	Si-Cl	2.04	-0.03	-0.01	jj
		Cl-Si-Cl	106.24	1.29	3.46
		Si-H	1.47	0.00	-0.03
		Si-N	1.70	0.06	0.04
PCl5	Phosphorus pentachloride	P-Cl(ax)	2.12	0.04	0.00	oooo
		P-Cl(eq)	2.02	-0.02	-0.01
Be2Cl6	Be(II)2Cl6(2-) (EQUNUZ)	Be-Be	2.83	-0.08	0.14	jj
		Be-Cl	1.97	-0.04	0.00
		Cl-Be-Be	121.67	1.21	1.96
		Be-Cl(br)	2.10	-0.07	0.01
C2Cl6	Hexachloroethane	C-C	1.55	-0.03	0.00	a
		C-Cl	1.74	0.02	0.01
		Cl-C-C	109.00	1.51	1.43
C6Cl6	Hexachlorobenzene	C-Cl	1.72	-0.03	-0.02	oooo
Al2Cl6	Al2Cl6	Al-Cl(br)	2.24	-0.02	0.01	yyy
		Cl-Al-Cl	87.00	1.99	-0.64
		Al-Cl(t)	2.04	-0.03	0.03
		Cl-Al-Cl	128.87	-8.23	-5.96
SCl6	Sulfur hexachloride	S-Cl	2.03	0.08	0.07	ppp
Si2C2Cl8	Si2Cl6C2 (FAZKUM)	Si-Cl	2.01	-0.02	-0.01	jj
		Cl-Si-Cl	109.91	1.07	2.22
		Si-C	1.87	-0.03	-0.01
LiAr	Argon lithium cation	Ar-Li	2.52	0.01	0.00	b
FAr	Argon fluoride anion	Ar-F	4.17	-0.82	-0.84	b
KH	Potassium hydride	K-H	2.24	0.08	-0.60	cccc
KHe	Helium potassium cation	He-K	3.15	0.49	-0.25	b
KCH3	Potassium methyl	K-C	2.63	-0.27	0.09	cccc
KC5H5	Potassium cyclopentadienide	K-C	2.88	-0.04	0.13	ee
KHO	Potassium hydroxide	K-H	2.20	0.02	0.12	gggg
KH3O2	KOH.H2O	K-O(H)	2.32	-0.08	0.01	m
		K-O(H2)	2.81	0.36	1.15
KH3O2	KOH.H2O (for K -- OH2)	K-O(H2)	2.81	0.35	1.18	m
KH4O2	K(+)(H2O)2	K-O	2.72	0.13	0.17	m
KBO2	KBO2	K-O	2.42	-0.16	-0.04	g
		O-B	1.27	0.01	-0.01
		K-O-B	107.00	53.56	74.89
KH6O3	K(+)(H2O)3	K-O	2.74	0.14	0.27	m
KH8O4	K(+)(H2O)4	K-O	2.77	0.15	0.41	m
KH10O5	K(+)(H2O)5	K-O	2.78	0.03	0.07	m
KCH5O5	KHCO3.2H2O	K-O(CO2)	2.80	-0.13	-0.09	m
		K-O(H2)	2.84	0.25	0.17
KNH4O5	KNO3.2H2O	K-O(NO2)	2.70	-0.02	0.00	m
		N-O	1.30	-0.03	0.00
		N-O-K	97.28	0.66	0.03
		N=O	1.30	-0.03	0.00
		K-O(H2)	2.72	0.27	0.00
KC12H24O6	K(+)-18-crown-6 (KEGXID)	K-O	2.83	0.08	0.07	jj
KC12H24O6	K(I)O6(+) (AQEPIV)	K-O	2.90	0.01	-0.01	jj
		K-O	2.78	0.14	0.12
		O-K-O	60.18	0.07	-0.05
KC16NH28O6	K(I)O6N (YAKWOX)	K-N	2.71	0.54	0.18	jj
		K-O	2.95	0.04	-0.02
		O-K-N	117.83	37.54	-36.88
KC18N2H36O6	K(I)O6N2(+) (GAZGIX)	K-N	3.03	-0.02	-0.05	jj
		K-O	2.82	0.21	0.22
		O-K-N	60.79	-0.29	0.11
KC20H31O7	K(I)O7 (LEGXOK)	K-O	2.53	-0.13	0.05	jj
		K-O	2.85	0.12	0.15
		O-K-O	99.50	16.06	26.29
KF	Potassium fluoride	K-F	2.19	0.04	-0.30	gggg
KBF4	KBF4	B-F	1.45	-0.05	-0.06	m
		B-F	1.37	-0.04	-0.03
		K-F	2.65	-0.05	-0.06
		B-F-K	83.54	3.01	2.55
KNe	Neon potassium cation	Ne-K	2.89	0.02	0.05	b
KAlF4	KAlF4	K-F(br)	2.51	0.13	0.04	g
		F-Al(br)	1.69	-0.07	-0.04
		F(Br)-Al-F(t	108.80	7.39	6.37
		F(Br)-Al-F(B	102.90	-25.84	-16.39
KC17N3H32SO5	K(I)O5N3 (POZTCK)	K-O	2.85	0.73	1.20	jj
		K-N	2.78	-0.04	0.18
		O-K-N	156.91	58.03	23.06
KC16H33SO6	K(I)O6S (RUXVAH)	K-S	3.05	0.07	0.13	jj
		K-O	2.89	0.30	1.79
		O-K-S	122.86	-10.30	-56.72
KCl	Potassium chloride	K-Cl	2.70	0.04	0.05	gggg
KH10ClO5	K(+)(H2O)5.Cl	K-Cl	3.13	0.00	0.00	m
KAr	Argon potassium cation	Ar-K	3.58	0.00	0.03	b
K2	Potassium, dimer	K-K	3.90	1.18	0.44	a
K2O	K2O	K-O	2.26	-0.13	-0.05	gggg
K2F2	Potassium fluoride, dimer	K-F	2.35	0.01	0.05	gggg
		F-K-F	84.70	-2.32	9.54
K2S	Potassium sulfide	K-S	2.86	-0.01	0.03	m
		K-S-K	130.61	29.54	0.11
K2Cl2	Potassium chloride, dimer	K-Cl	2.95	-0.05	-0.05	gggg
		Cl-K-Cl	96.00	-8.28	6.93
CaH	Calcium hydride (CaH)	Ca-H	2.00	-0.12	-0.01	cccc
CaNH2	Calcium monoamide	Ca-N	2.13	0.06	-0.13	g
CaC2N2	Calcium cyanide	Ca-C	2.38	-0.08	-0.97	bbbbb
CaC2N2	Calcium isocyanide	Ca-N	2.38	-0.28	-0.42	bbbbb
CaN6H18	Ca(II)N6(2+) (QAKGAL)	Ca-N	2.46	0.22	0.01	jj
CaC6N6H24	Calcium trisethylenediamine	Ca-N	2.58	0.02	-0.15	m
CaO	Calcium oxide	Ca-O	1.82	0.02	0.24	a
CaHO	Calcium monohydroxide	Ca-O	1.98	-0.11	0.05	g
CaH2O2	Calcium hydroxide	Ca-O	2.04	-0.17	-0.01	ffff
CaC16H22O2	Ca(II)(Cp)2O2 (TEYYIF)	Ca-O	2.41	-0.16	1.85	jj
		O-Ca-O	88.39	10.73	-30.78
		Ca-C	2.69	0.15	0.85
CaC16H24O2	Ca(II)(Cp)2O2 (SEHPEA)	Ca-O	2.40	-0.15	1.73	jj
		O-Ca-O	68.72	6.47	-19.58
		Ca-C	2.67	0.06	-0.04
CaC8H10O4	Ca(II)O2 (TASFOI)	Ca-O	2.30	-0.17	-0.08	jj
		O-Ca-O	103.14	34.43	35.50
CaH10O6	Ca(OH)2.(H2O)4	Ca-O(H2)	2.49	0.10	-0.05	m
		Ca-O(H)	2.31	0.01	-0.02
CaH11O6	Ca(++)(H2O)5.OH	Ca-O(H2)	2.45	-0.03	-0.06	m
		Ca-O(H)	2.17	-0.20	0.01
CaH12O6	Ca(II)(H2O)6(2+) (BIHNIQ)	Ca-O	2.32	0.02	0.06	jj
CaC10H18O6	Ca(II)O6 (BOLTIF)	Ca-O	2.34	-0.28	-0.07	jj
		O-Ca-O	76.21	15.97	4.59
CaC18N2H38O7	Ca(II)O7N2(2+) (CACRPB)	Ca-N	2.72	-0.10	0.00	jj
		Ca-O	2.42	0.54	-0.03
		O-Ca-N	85.80	15.78	5.93
		Ca-O	2.51	-0.10	0.39
CaC10N2H12O8	Ca(++)(Edta)	Ca-N	2.55	-0.02	-0.13	m
		Ca-O	2.55	-0.03	-0.13
CaC10N4H14O8	Ca(II)O6N2 (LINYAI)	Ca-O	2.46	-0.37	-0.14	jj
		Ca-N	2.61	-0.11	-0.31
		O-Ca-N	64.15	7.32	7.37
		Ca-O	2.51	0.01	-0.06
CaC4N2H12O10	Ca(II)O8 (GEBPAE)	Ca-O	2.44	-0.30	-0.16	jj
		Ca-O	2.51	0.03	-0.08
		O-Ca-O	104.19	14.23	12.05
CaC6H3O12	Calcium hydrogen trisoxalate	Ca-O	2.29	-0.19	-0.04	m
		Ca-O	2.52	-0.28	-0.17
CaC16N2H32O12	Ca(II)O10 (DUJJOH)	Ca-O	2.58	-0.36	-0.23	jj
		Ca-O	2.72	-0.28	-0.27
		O-Ca-O	68.88	14.97	7.14
		Ca-N	3.00	-0.33	-0.28
CaC10H20O14	Ca(II)O8 (CAARAB)	Ca-O	2.47	-0.23	-0.10	jj
		O-Ca-O	65.17	10.10	2.19
CaF	Calcium monofluoride	Ca-F	1.95	-0.10	0.01	ccccc
CaH10O5F	Ca(++)(H2O)5.F	Ca-O	2.45	-0.07	-0.06	m
		Ca-F	2.10	-0.20	-0.10
CaF2	Calcium difluoride	Ca-F	1.98	-0.11	0.00	ddddd
CaS	Calcium sulfide	Ca-S	2.32	-0.16	-0.08	a
CaH4SO6	CaSO4.(H2O)2	Ca-S	2.59	-0.19	0.01	m
CaH4S2	Ca(++)(H2S)2	Ca-S	2.85	-0.40	1.35	m
CaC22N6H18S2O	Ca(II)N6O (BUKZUC)	Ca-N	2.40	-0.04	-0.34	jj
		Ca-O	2.43	0.11	0.02
		O-Ca-N	87.24	-12.76	5.77
		Ca-N	2.54	0.07	-0.24
CaCl	Calcium monochloride	Ca-Cl	2.44	0.01	0.05	eeeee
CaH10ClO5	Ca(++)(H2O)5.Cl	Ca-O	2.43	-0.07	-0.04	m
		Ca-Cl	2.56	-0.07	0.05
CaCl2	Calcium dichloride	Ca-Cl	2.48	-0.08	0.00	iiii
CaH4Cl4O2	Ca(II)Cl4O2(2-) (DILXOL)	Ca-Cl	2.75	-0.11	-0.10	jj
		Cl-Ca-Cl	97.22	40.50	29.32
		Ca-O	2.33	0.21	0.04
Ca2C12H28Cl2O1	Ca(II)2O12Cl2(2+) (NADQEP)	Ca-Ca	4.31	-0.65	-0.35	jj
		Ca-O	2.49	-0.25	-0.11
		O-Ca-Ca	32.07	2.79	3.10
		Ca-Cl	2.73	-0.01	0.18
		Ca-O	2.38	0.02	-0.02
ScC3H9	Trimethyl scandium	Sc-C	2.20	0.05	0.03	m
ScC15H15	Tricyclopentadienyl scandium	Sc-C	2.64	1.07	-0.07	m
ScC21H33	Sc(III)Cp2Me (FEDSUC)	Sc-C(C4)	2.48	0.47	0.04	jj
		Sc-C(H3)	2.24	0.00	0.01
		C-Sc-C	126.33	-11.58	-2.76
ScC25H41	Sc(III)C11 (BEBRUW)	Sc-C(C4)	2.50	1.12	0.05	jj
		Sc-C(C)	2.29	-0.02	-0.01
		C-Sc-C	89.66	-10.37	6.48
ScC37N4H47	Sc(III)N4C (LAXCES)	Sc-N	2.15	0.05	0.00	jj
		N-Sc-N'	84.85	0.02	2.27
		Sc-C(H3)	2.25	0.02	-0.02
		C-Sc-N	107.55	2.93	-2.90
ScC41N4H49	Sc(III)N4Cp (SIMFAV)	Sc-N	2.18	0.01	-0.01	jj
		N-Sc-N'	82.14	2.16	2.00
		Sc-C(C4)	2.48	-0.12	0.09
ScN6H18	Sc(II)(NH3)6	Sc-N	2.42	0.03	-0.12	m
ScC6N6	Sc(III)(CN)6	Sc-C	2.39	0.05	-0.10	m
ScO	Scandium monoxide	Sc-O	1.67	-0.01	-0.01	fffff
ScH12O6	Sc(III)(H2O)6	Sc-O	2.15	0.12	0.02	m
ScH12O6	Sc(II)(H2O)6	Sc-O	2.28	0.21	-0.21	m
ScC15H21O6	Sc(III)(Acac)3 (ACACSC)	Sc-O	2.08	0.05	0.03	jj
		O-Sc-O	81.52	3.44	7.11
ScC28H21O8	Sc(III)O6 (HTROPS01)	Sc-O(H)	2.26	1.23	0.11	jj
		Sc-O(C)	2.21	0.80	0.05
		O-Sc-O	67.78	-19.74	2.88
		Sc-O'	2.17	-0.04	-0.01
ScC4N8H12O8	Sc(III)O4N4(-) (HYZCSC)	Sc-O	2.17	-0.02	0.02	jj
		Sc-N	2.34	0.16	-0.06
		O-Sc-N	68.82	0.19	5.48
ScH18O9	Sc(III)O6(3+) (NINMIG)	Sc-O(3)	2.49	1.27	1.44	jj
		Sc-O'(6)	2.17	0.14	0.04
		O-Sc-O	136.83	34.32	35.85
ScC15N6H11O9	Sc(III)O6N3 (DITFOB)	Sc-N	2.31	0.13	-0.04	jj
		Sc-N'	2.27	0.17	-0.02
		N-Sc-N'	70.07	-2.69	2.23
		Sc-O	2.48	0.61	-0.16
ScC10N2H16O10	Sc(III)(EDTA)(-) (BEQNEQ)	Sc-O(C)	2.15	-0.02	0.02	jj
		Sc-O(H2)	2.25	0.36	0.00
		O-Sc-O	76.54	-12.31	-5.92
		Sc-N	2.46	0.11	-0.15
		N-Sc-O	76.44	-5.97	0.01
ScN3H4O11	Sc(III)O8 (SEZFOS)	Sc-O(NO2)	2.25	0.62	0.00	jj
		Sc-O(H2)	2.14	0.16	0.06
		O-Sc-O	78.42	-23.89	-10.28
ScN3H6O12	Sc(III)O9 (JAKVOG)	Sc-O(NO2)	2.30	0.04	-0.06	jj
		Sc-O(H2)	2.23	-0.17	0.01
		O-Sc-O	123.08	-30.34	1.92
ScC12N6H12O18	Sc(III)O6(+) (YECNEZ)	Sc-O(C)	2.02	0.06	0.11	jj
		Sc-O(H2)	2.12	0.12	0.10
		O-Sc-O	88.24	-8.97	-18.67
ScF	Scandium(I) fluoride	Sc-F	1.82	0.22	-0.03	m
ScOF	Scandium(III) oxide fluoride	Sc=O	1.70	-0.03	-0.02	m
		Sc-F	1.90	0.11	-0.04
		O=Sc-F	117.28	62.92	-8.34
ScF3	Scandium(III) trifluoride	Sc-F	1.85	0.16	0.01	m
ScC2H7S	Dimethyl scandium(III) thiol	Sc-S	2.43	0.00	2.08	m
ScC6N6S6	Sc(III)N6(3-) (BUQMOP)	Sc-N	2.19	0.08	0.03	jj
ScCl	Scandium(I) chloride	Sc-Cl	2.25	0.18	-0.04	m
ScClO	Scandium(III) oxide chloride	Sc=O	1.69	-0.03	-0.02	m
		Sc-Cl	2.36	-0.02	-0.02
		O=Sc-Cl	120.90	59.13	-12.52
ScC12NH23ClO5	Sc(III)ClO5N(2+) (TUVXOX)	Sc-Cl	2.36	0.05	0.03	jj
		Sc-O	2.13	0.17	0.13
		O-Sc-Cl	93.77	0.33	6.10
		Sc-N	2.27	-0.05	-0.03
ScC10H20Cl2O5	Sc(III)O5Cl2(+) (WATJAC)	Sc-Cl	2.43	-0.04	-0.01	jj
		Sc-O	89.87	-3.83	-9.02
		O-Sc-Cl	-180.00	4.49	0.70
ScCl3	Scandium(III) trichloride	Sc-Cl	2.29	0.07	0.05	m
ScC9N3H21Cl3	Sc(III)N3Cl3 (NEZWEU)	Sc-Cl	2.41	0.04	0.06	jj
		Cl-Sc-Cl	98.47	8.61	6.06
		Sc-N	2.34	0.09	-0.03
		N-Sc-Cl	164.44	-9.20	-4.13
ScC6NH13Cl3O2	Sc(III)NCl3O2 (CORLAW)	Sc-Cl	2.39	0.05	0.03	jj
		Cl-Sc-Cl	96.87	12.35	9.80
		Sc-O	2.21	0.32	0.10
		Cl-Sc-O	161.58	-9.95	0.81
ScH6Cl3O3	Sc(III)Cl3O3 (TUVYAK)	Sc-Cl	2.44	-0.03	-0.03	jj
		Cl-Sc-Cl	91.86	19.14	21.67
		Sc-O	2.18	0.21	0.00
		O-Sc-Cl	88.14	-14.80	-9.19
ScC6H14Cl3O3	Sc(III)O3Cl3 (CORNIG)	Sc-Cl	2.37	0.04	0.04	jj
		Cl-Sc-Cl	95.20	17.08	10.33
		Sc-O	2.24	0.43	0.10
		O-Sc-Cl	88.81	-10.25	3.03
		Sc-O'	2.17	0.25	0.10
Sc2	Scandium, dimer	Sc-Sc	2.31	0.71	0.06	m
Sc2C42H60	Sc(III)2Cp4C2 (SIZNIY)	Sc-C(C-Sc)	2.19	0.03	-0.03	jj
		Sc-C(C4)	2.48	0.46	0.06
Sc2N4H10O18	Sc(III)2O14 (TUVYEO)	Sc-Sc	3.33	0.23	0.50	jj
		Sc-O(NO2)	2.35	-0.04	-0.10
		O-Sc-Sc	114.75	2.83	7.63
		Sc-O(H2O)	2.15	0.44	0.12
		Sc-O(H)	2.04	0.14	0.12
Sc2F4	Sc2F4	Sc-Sc	3.25	-0.21	0.06	m
		Sc-F	1.85	0.15	-0.03
		Sc-Sc-F	114.57	0.59	-6.40
Sc2C20H20Cl2	Sc(III)2Cp4Cl2 (DCCPSC)	Sc-Sc	3.92	0.33	0.05	jj
		Sc-Cl	2.56	0.08	0.02
		Cl-Sc-Sc	40.21	-3.98	-0.38
		Sc-C	2.46	-0.18	0.10
Sc3C30H30F3	Sc(III)3Cp6F3 (DOFGAG)	Sc-Sc	3.98	0.28	0.00	jj
		Sc-F	2.04	0.15	0.00
		F-Sc-Sc	13.25	0.09	-0.44
		Sc-C	2.42	-0.13	0.12
TiH4	TiH4	Ti-H	1.73	0.01	-0.37	m
TiC20H16	Ti(IV)C14 (LIKRAY)	Ti-C(Cp)	2.37	0.05	0.12	jj
TiC24H38	Ti(IV)C13 (KORFIG)	Ti-C(H2)	2.14	0.00	-0.02	jj
		Ti-C(C2)	2.07	0.08	0.07
		C-Ti-C	75.19	2.34	4.77
		Ti-C(Cp)	2.46	-0.01	0.10
TiN4H8	Ti(NH2)4	Ti-N	1.91	0.01	-0.01	ggggg
TiC4N4H16	Ti(NHMe)4	Ti-N	1.92	0.00	-0.03	hhhhh
TiN6H18	Ti(II)(NH3)6	Ti-N	2.30	0.04	0.07	m
TiH12O6	Ti(II)(H2O)6	Ti-O	2.16	0.05	0.06	m
		Ti-O'	2.27	-0.09	-0.05
TiF	Titanium(I) fluoride	Ti-F	1.80	-0.10	-0.03	m
TiOF2	Titanium(IV) oxide difluoride	Ti-F	1.80	-0.09	0.01	m
		Ti=O	1.62	0.07	0.00
TiH8O4F2	Ti(III)F2(H2O)4 (+) (SIXXAY)	Ti-F	1.83	-0.10	-0.01	jj
		Ti-O	2.09	0.15	0.13
TiF4	TiF4	Ti-F	1.80	-0.09	0.00	a
TiF6	Ti(IV)F6(2-) (KOYXOL)	Ti-F	1.90	-0.07	0.01	jj
TiF6	Titanium(IV) hexafluoride	Ti-F	1.92	-0.09	0.00	hhhhh
TiSi4C16N4H44	Ti(IV)N4 (VIRLAJ)	Ti-Si	3.31	0.08	-0.26	jj
		Si-Ti-Si	137.45	-6.53	2.67
		Ti-N	1.91	-0.01	0.12
		N-Ti-N	91.63	1.26	-11.32
TiCl	Titanium(I) chloride	Ti-Cl	2.21	-0.10	-0.12	m
TiC13H11Cl	Ti(IV)ClC14 (RIRWUK)	Ti-Cl	2.51	-0.28	-0.31	jj
		To-C(Cp)	2.39	0.00	0.02
		C-Ti-C	79.43	4.91	23.49
		Ti-C(C6)	2.49	0.67	0.19
TiN3H6Cl	TiCl(NH2)3	Ti-Cl	2.26	-0.02	0.03	ggggg
		Ti-N	1.89	0.01	-0.03
		Cl-Ti-N	111.85	0.44	-7.06
TiC13PH19Cl	Ti(III)Cp2ClP (DEWXEI)	Ti-Cl	2.48	-0.10	-0.07	jj
		Ti-P	2.60	0.03	0.00
		P-Ti-Cl	80.44	-0.82	10.00
		Ti-C	1.84	0.02	0.06
TiC6H9S6Cl	Ti(IV)S6Cl (CSACTI)	Ti-Cl	2.25	-0.04	-0.05	jj
		Ti-S	2.57	-0.06	0.02
		Cl-Ti-S	97.97	2.39	1.05
TiC10H10Cl2	Bicyclopentadienyl titanium dich	Ti-Cl	2.36	-0.06	-0.06	m
		Ti-C	2.45	-0.04	0.04
TiC10H10Cl2	Ti(IV)Cp2Cl2 (CDCPTI)	Ti-Cl	2.35	-0.06	-0.05	jj
		Cl-Ti-Cl	95.66	-1.74	5.68
		Ti-C	2.39	-0.02	0.03
TiC14H18Cl2	Ti(IV)Cl2Cp2 (BOZPIP)	Ti-Cl	2.37	-0.07	-0.06	jj
		Ti-C	2.42	-0.01	0.07
		Cl-Ti-Cl	93.33	0.47	7.31
TiN2H4Cl2	TiCl2(NH2)2	Ti-N	1.87	0.01	0.00	ggggg
		Ti-Cl	2.23	0.00	-0.01
		N-Ti-Cl	109.00	1.37	0.07
TiCl2O	Titanium(IV) oxide dichloride	Ti-Cl	2.23	-0.06	-0.04	m
		Ti=O	1.62	0.08	-0.01
TiC16N2H14Cl2O	Ti(IV)Cl2O2N2 (CESALT)	Ti-Cl	2.35	-0.07	-0.03	jj
		Ti-N	2.14	0.02	0.15
		N-Ti-Cl	85.62	2.56	0.59
		Ti-O	1.83	0.10	0.06
		O-Ti-Cl	90.14	0.59	1.76
TiCH3Cl3	Methyl titanium(IV) trichloride	Ti-C	2.04	0.05	-0.08	m
		Ti-Cl	2.21	-0.03	-0.04
TiC5H5Cl3	TiCpCl3 (CEHPIO)	Ti-Cl	2.20	0.01	0.00	jj
		Cl-Ti-Cl	102.20	-1.39	2.16
		Ti-C	2.33	0.02	0.12
TiNH2Cl3	TiCl3NH2	Ti-N	1.85	0.02	0.02	ggggg
		Ti-Cl	2.21	0.03	0.02
		Ti-Cl	2.19	0.00	-0.02
		N-Ti-Cl	107.24	18.13	17.93
TiC15N3H19Cl3	Ti(III)N3Cl3 (CPMATI)	Ti-Cl	2.29	-0.06	-0.07	jj
		Cl-Ti-Cl	85.81	6.90	9.72
		Ti-N	2.27	-0.02	-0.01
		N-Ti-Cl	107.64	-3.42	-1.36
		Ti-N'	2.21	0.10	0.23
TiC6H14Cl3O3	Ti(III)Cl3O3 (TCXNTI)	Ti-Cl	2.34	-0.13	-0.13	jj
		Ti-Cl'	2.33	-0.05	-0.09
		Cl-Ti-Cl'	98.05	16.28	15.90
		Ti-O	2.12	0.22	0.26
TiC8PH14Cl3	Ti(IV)Cl3PCp (LEFCUU)	Ti-Cl	2.33	-0.06	-0.08	jj
		Cl-Ti-Cl	87.19	-1.23	0.34
		Ti-P	2.60	0.05	0.05
		Ti-C	2.34	0.04	0.12
TiC8P2H21Cl3	Ti(IV)CHClP (BIXFUJ10)	Ti-Cl	2.41	-0.07	-0.02	jj
		Ti-Cl'	2.31	-0.04	0.06
		Ti-P	156.77	4.20	4.98
		P-Ti-Cl	91.31	-7.52	-2.69
		Ti-C	128.34	-6.18	-3.72
TiCl4	Titanium tetrachloride	Ti-Cl	2.18	0.01	-0.01	a
TiC5H5Cl4	Ti(IV)Cl4Cp(-) (ICESEO)	Ti-Cl	2.35	0.00	0.00	jj
		Cl-Ti-Cl	83.98	-0.66	0.44
		Ti-C	2.35	0.05	0.12
TiNH3Cl4	TiCl4(NH3)	Ti-Cl(ax)	2.21	-0.01	-0.04	ggggg
		Ti-Cl	2.22	0.01	0.01
		Ti-N	2.29	0.10	0.13
TiN2H6Cl4	TiCl4(NH3)2 trans	Ti-N	2.21	0.08	0.11	ggggg
		Ti-Cl	2.30	-0.03	-0.02
TiC4N2H6Cl4	Ti(IV)Cl4N2 (DIFWAQ)	Ti-Cl	2.28	0.03	0.06	jj
		Cl-Ti-Cl	165.00	-4.28	-17.68
		Ti-Cl'	2.21	0.03	0.01
		Cl'-Ti-Cl	95.25	0.84	4.83
		Ti-N	2.25	-0.16	-0.01
TiC10N2H10Cl4	Ti(IV)Cl4N2 (GAMGAC)	Ti-Cl	2.29	-0.01	0.00	jj
		Ti-N	2.20	-0.02	0.05
TiC4H10Cl4O2	Ti(IV)Cl4O2 (BOMFAK)	Ti-Cl	2.23	0.00	-0.03	jj
		Cl-Ti-Cl	93.48	4.46	8.31
		Ti-O	2.17	0.15	0.29
TiSCl4	Ti(IV)Cl4S(=) (GERHAM)	Ti-Cl	2.37	0.01	0.03	jj
		Ti-S	2.11	0.07	0.09
		Cl-Ti-S	105.19	1.19	2.70
TiCl6	Ti(IV)Cl6(2-) (BARMAJ)	Ti-Cl	2.33	0.02	0.06	jj
TiAl2C6H6Cl8	Ti(II)(C6H6)Cl4 (BELYIA01)	Ti-Al	3.43	-0.04	0.02	jj
Ti2	Titanium, dimer	Ti-Ti	1.97	1.05	0.18	rrr
Ti2C10H10Cl4O	Ti(IV)2OCl4Cp2 (CYTIDC)	Ti-O	1.73	0.14	0.12	jj
		Ti-Cl	2.28	-0.06	-0.08
		O-Ti-Cl	104.04	-3.09	0.37
		Ti-C	2.26	0.08	0.20
Ti2C8H20Cl4O4	Cl2(C2H5O)Ti-(C2H5O)2-TiCl2(C2H5	Ti-O(ter)	1.77	0.05	0.01	ppp
		Ti-O(Br)	1.96	0.16	0.08
		Ti-Cl	2.20	0.05	0.05
Ti2C10H20Cl6O6	Ti(IV)2O6Cl6 (YARSOZ) r	Ti-Ti	3.69	0.11	0.06	jj
		Ti-Cl	2.44	-0.16	-0.06
		Ti-Cl	2.33	0.02	0.05
		Cl-Ti-Ti	89.74	-2.93	-8.53
		Ti-Cl	174.90	3.47	3.10
		Ti-O	177.03	0.55	-0.80
Ti2C12P4H36Cl6	Ti(III)2Cl6(PMe3)3 (LETMIG)	Ti-Ti	3.74	-0.30	-0.35	jj
		Ti-Cl(br)	2.46	-0.01	-0.07
		Cl-Ti-Ti	41.54	2.35	8.97
		Ti-Cl(t)	2.31	-0.03	0.10
		Cl-Ti-Ti	96.23	0.79	1.11
		Ti-Cl(t')	2.32	-0.11	-0.05
		Ti-Cl(t')	2.60	0.02	0.07
		Ti-P	2.67	-0.05	0.00
Ti2C4N2H6Cl8	Ti(IV)2Cl9(MeCN)2 (MALYAZ) r	Ti-Cl	2.48	0.00	0.08	jj
		Ti-Cl(t)	2.21	0.02	0.00
		Cl-Ti-Cl	90.12	-0.56	-4.24
		Ti-N	2.19	-0.13	-0.02
Ti2C8H16Cl8O2	Ti(IV)2Cl8O2 (GEXSAD)	Ti-Cl(br)	2.52	-0.06	0.04	jj
		Ti-Cl(t)	2.21	0.02	0.03
		Cl-Ti-Cl	169.91	-0.60	-7.68
		Ti-O	2.23	0.02	-0.02
Ti2C2N2H6Cl8O4	Ti(IV)2Cl8O2 (CLNMTI)	Ti-Cl(t)	2.20	0.06	0.03	jj
		Ti-Cl(t')	2.20	0.03	0.02
		Cl-Ti-Cl	98.22	0.51	7.88
		Ti-Cl(br)	2.47	-0.02	0.06
		Ti-O	2.20	0.00	0.08
Ti2Cl9	Ti2Cl9, anion	Ti-Cl(br)	2.49	0.01	0.06	ppp
		Ti-Cl(ter)	2.23	0.01	0.01
VC10H10	Bicyclopentadienyl vanadium	V-C	2.28	0.01	0.07	g
VC10H10	V(Cp)2 (CPNDYV)	V-C	2.24	0.07	0.12	jj
VC12H12	VC12 (CPLHLV01)	V-C(cp)	2.25	0.02	0.11	jj
		V-C(C6)	2.18	0.00	0.18
VC14H22	VC10 (COGXOL)	V-C1	2.20	-0.01	0.11	jj
		V-C2	2.24	0.00	0.23
		C-V-C	161.98	-9.37	15.20
		V-C3	2.24	-0.04	0.13
VC5N5	Vanadium(V) pentacyanide	V-C	1.97	0.01	0.08	m
VN6H18	V(II)(NH3)6	V-N	2.27	0.16	0.00	m
VC12N6H18	V(II)N6(2+) (BEQQIX)	V-N	2.11	0.02	-0.03	jj
		N-C	1.12	0.05	0.04
		C-C	1.45	-0.02	-0.02
VC30N6H24	V(0)N6 (DPYRDV)	V-N	2.10	0.05	-0.03	jj
		V-N	2.10	0.07	0.05
		V-N	2.10	0.08	0.03
		V-N	2.10	0.07	0.03
		V-N	2.10	0.07	0.04
		N-V-N	79.81	-2.86	-0.09
		V-N	2.10	0.05	-0.04
VO	Vanadium(II) oxide	V-O	1.59	0.02	-0.04	cccc
VC11H12O	VC11O (BEYRIG)	V-O	1.96	-0.03	-0.30	jj
		V-C(cp)	2.26	-0.01	0.18
		V-C(O)	2.09	0.13	0.88
		O-V-C	38.86	-2.72	-38.85
VC32N4H34O	V(IV)ON4 (CAKMAC10)	V=O	1.58	0.00	-0.01	jj
		V-N	2.03	0.00	0.00
		O-V-N	105.95	-2.66	-0.97
VO2	Vanadium(IV) oxide	V-O	1.59	-0.01	-0.02	iiiii
		O-V-O	110.00	4.58	5.56
VC12H10O2	VC12(+) (CCPZRB)	V-C	1.95	0.10	0.11	jj
		C-O	1.15	-0.01	-0.01
		V-C(cp)	2.24	0.00	0.08
VCH5O3	Methyl vanadium(V) oxide dihydro	V-C	2.03	0.00	0.07	m
		V=O	1.59	-0.02	-0.01
		V-O	1.79	-0.01	-0.05
VC14H14O4	VC10(+) (BOBHIJ)	V-C	1.93	0.05	0.13	jj
		C-O	1.18	-0.03	-0.03
		V-C(C6)	111.63	6.43	4.22
VC18N2H12O4	V(V)O4N2(-) (BALLIJ)	V=O	1.64	-0.06	-0.03	jj
		V-O	1.97	0.16	0.16
		O=V-O	95.72	2.62	2.87
		V-N	2.31	0.05	0.10
		O=V-N	162.96	-2.76	-1.15
VC10H14O5	V(IV)O5 (ACACVO)	V-O	1.56	0.01	0.03	jj
		V-O(C)	1.97	-0.01	0.06
		O-V-O	104.53	-0.19	1.35
VC12H8O5	V(IV)O6(2-) (BOBWOE)	V-O	1.96	0.03	0.13	jj
		O-V-O	83.04	1.05	-6.18
		V=O	1.61	-0.04	-0.02
		O-V=O	104.01	3.90	5.17
VC15NH19O5	V(IV)O5N (CUCWUS)	V=O	1.57	0.00	0.01	jj
		V-O	2.01	0.00	-0.15
		O=V-O	98.24	2.32	6.34
		V-N	2.48	-0.26	-0.04
VC14N3H13O5	V(IV)O3N3 (CAGSAE)	V-O	1.59	-0.04	-0.03	jj
		V-O(C)	1.99	-0.12	-0.09
		O-V-O	101.11	2.55	0.42
		V-N	2.33	0.13	0.23
		V-N'	2.11	0.06	0.01
VH10O6	VO(H2O)5	V=O	1.59	0.01	-0.05	ppp
		V-O(eq)	2.02	0.13	0.18
		V-O(ax)	2.22	0.03	0.20
VH12O6	V(III)O6(3+) (COLNUM)	V-O	1.99	0.19	0.20	jj
VH12O6	V(II)(H2O)6	V-O	2.16	0.22	0.06	m
VC6O6	Vanadium hexacarbonyl	V-C	2.01	-0.17	-0.01	jjjjj
VC6O6	V(CO)6(-) (BOBHIJ)	V-C	1.93	-0.06	0.02	jj
		C-O	1.14	0.03	0.02
VC6H18O6	V(II)O6(2+) (DATBUV)	V-O	2.13	-0.03	0.06	jj
		O-C	1.44	-0.12	-0.09
		C-O-V	129.50	32.43	-7.18
VC18H12O6	V(IV)O6(2-) (BOBWEU)	V-O	1.92	0.02	0.01	jj
		O-V-O	80.54	4.06	-3.02
VC10N2H12O8	Vanadium(III) EDTA	V-N	2.19	0.07	0.07	m
		N-V-N	87.25	-7.73	-2.41
		V-O	2.03	-0.18	-0.03
VC4O10	V(V)O6(3-) (AOXOVA)	V=O	1.65	-0.05	-0.03	jj
		O=V=O	103.83	16.23	7.85
		V-O	1.99	-0.08	-0.08
		O-V=O	95.34	9.68	12.95
VC4H2O10	V(IV)O6(2-) (AOXVAN10)	V-O	2.00	-0.02	0.00	jj
		O-V-O	81.29	0.96	-5.53
		V=O	1.59	0.01	0.00
		V-O(H2)	2.03	0.99	1.16
VC4H4O10	V(III)O6(-) (DABKEW)	V-O(H2)	1.97	0.98	1.47	jj
		V-O(C2O3)	2.00	-0.10	0.00
		O-V-O	90.15	2.08	14.90
VC6H6O10	V(IV)O5(2-) (AJUJEU)	V-O	2.01	-0.02	0.04	jj
		O-V-O	88.44	-6.53	3.88
		V=O	1.60	0.00	0.00
		V-O(H2)	2.23	1.22	1.32
VF	Vanadium(I) fluoride	V-F	1.76	-0.03	-0.10	m
VO2F	Vanadium(V) fluoride dioxide	V-F	1.77	-0.04	-0.04	m
		V=O	1.61	-0.06	-0.03
VF3	Vanadium(III) fluoride	V-F	1.75	0.03	-0.05	gggg
		F-V-F	120.00	21.41	0.03
VOF3	Vanadium(V) oxyfluoride	V-O	1.57	-0.02	-0.01	g
		V-F	1.73	0.00	0.01
		O-V-F	107.50	4.69	2.09
VF5	Vanadium pentafluoride	V-F(ax)	1.73	0.02	0.01	cccc
		V-F(eq)	1.71	0.03	0.03
VF6	Vanadium(V) hexafluoride	V-F	1.81	-0.03	-0.01	hhhhh
VC12P2H24	V(II)CpCP2 (DACFUI)	V-P	2.46	0.02	0.00	jj
		P-V-P	81.10	2.90	1.70
		V-C(H3)	2.22	-0.23	-0.06
		V-C(C4)	2.30	0.03	0.05
VS	Vanadium sulfide, cation	V-S	2.03	-0.07	-0.04	kkkkk
VC12N2H18SO2	V(IV)O3N2 (BAWBUW)	V-S	2.07	-0.07	0.06	jj
		V-O	1.95	-0.06	-0.22
		S-V-O	109.63	-3.73	-3.90
		V-N	2.03	0.09	0.13
VC10H11SO3	VC8S (CUDNIY)	V-S	2.47	-0.33	-0.19	jj
		V-C(O)	1.88	0.00	0.12
		V-C(Cp)	2.23	-0.08	0.11
VC20N4H16SO5	V(IV)O2N3 (ASAVAR)	V-O	1.58	-0.01	0.00	jj
		V-O'	1.96	-0.24	-0.26
		O-V-O'	105.02	-0.66	0.69
		V-N	2.10	0.03	-0.04
VPNH5S	Vanadium PH2 SH NH2	V-P	2.45	-0.08	0.01	hhhhh
		V-N	1.85	-0.04	-0.07
		V-S	2.28	-0.29	-0.06
VC4H8S4O	V(IV)S4O(2-) (CAVWAX)	V=O	1.63	-0.05	-0.05	jj
		V-S	2.38	-0.08	0.04
		O=V-S	104.00	1.08	-1.25
VC4H8S5	V(IV)S5 (CUSPOV)	V-S	2.35	-0.19	-0.06	jj
		S-V-S	85.84	5.91	2.42
		V=S	2.10	0.11	0.26
VC9H15S6O4	V(V)S6O (BIRYOO10)	V-S	2.47	-0.08	-0.04	jj
		S-V-S	69.06	9.49	4.34
		V-S	2.62	-0.23	-0.02
		V=O	1.58	0.01	-0.04
VCl	Vanadium(I) chloride	V-Cl	2.17	0.00	-0.16	m
VC10H10Cl	VCp2Cl (DCPVCL)	V-Cl	2.39	-0.24	-0.16	jj
		V-C	2.27	0.00	0.12
VClO2	Vanadium(V) chloride dioxide	V-Cl	2.19	0.00	-0.01	m
		V=O	1.60	-0.05	-0.04
VC11P2H23Cl2	VC5Cl2P2 (CECKIE)	V-Cl	2.40	-0.09	0.17	jj
		Cl-V-Cl	126.06	20.96	34.58
		V-P	2.51	0.02	-0.02
		V-C	2.31	-0.02	0.06
VC12P4H32Cl2	V(II)P4Cl2 (DAJDOH)	V-Cl	2.44	-0.27	0.23	jj
		V-P	2.50	0.01	-0.02
		Cl-V-P	88.17	0.59	1.15
VCl3	Vanadium(III) trichloride	V-Cl	2.15	-0.05	-0.03	m
VCl3O	Vanadium(V) oxychloride	V-O	1.57	-0.02	-0.02	g
		V-Cl	2.14	0.05	0.02
		O-V-Cl	111.30	4.52	-3.14
VC20N2H24Cl3O	V(III)ON2Cl3 (AFUGAJ)	V-Cl	2.32	-0.09	-0.01	jj
		Cl-V-Cl	170.85	1.95	-6.30
		V-O	2.12	0.03	0.10
		V-N	2.13	-0.04	-0.03
VCl4	Vanadium(IV) chloride	V-Cl	2.14	0.02	0.02	qqq
VCl4O	Vanadium(V) oxide tetrachloride,	V-O	1.56	0.02	-0.01	lllll
		V-Cl	2.26	0.05	0.06
		O-V-Cl	103.30	3.44	1.55
VCl5	Vanadium(V) pentachloride	V-Cl(eq)	2.19	0.03	-0.02	m
		V-Cl(ax)	2.26	0.00	-0.02
VCl6	Vanadium(V) hexachloride	V-Cl	2.33	-0.04	-0.04	hhhhh
V2	Vanadium, dimer	V-V	1.77	6.28	-0.07	mmmmm
V2C16H16	V2C16 (CAMXAP)	V-C(C5)	2.23	-0.06	0.07	jj
		V-C(C4)	2.26	-0.08	0.09
V2C12H20O8	V(IV)2O6 (BIWDIU)	V-O	1.59	-0.01	0.00	jj
		V-O(C5)	1.97	0.02	-0.12
		O-V-O	108.13	-4.28	0.89
		V-O(C)	1.95	-0.04	0.12
V2C22N4H20O8	V(V)2O8N4 (CEKHUV)	V-O(br)	2.20	-0.33	-0.21	jj
		O-V-O	73.38	-4.38	-13.03
		V-N	2.13	0.13	0.02
		V-O(t)	1.62	-0.04	0.00
V2C14H26O10	V(V)2O10 (BAFNEB)	V=O	1.60	0.00	-0.01	jj
		V-O	2.02	0.08	0.05
		O-V-O	97.83	1.37	8.47
		V-O(Me)	1.78	0.02	-0.03
		V-O(br)	1.87	0.17	-0.15
V2H4O4F6	V(IV)2F6O4(2-) (BAHLUR)	V-F(br)	1.96	-0.04	-0.16	jj
		V-F(t)	1.89	-0.13	-0.02
		V-O	1.61	-0.01	0.00
		V-O(H2)	2.07	1.93	3.47
V2C18H10O8F12	V2C10O8 (CPVFAC)	V-V	3.71	0.24	0.91	jj
		V-O	2.31	-0.15	4.17
		O-V-V	70.82	-7.93	-33.33
		V-C	2.39	-0.10	0.04
V2C28H24S8Cl2	V(III)2S8Cl2 (ALACIZ)	V-V	3.18	0.01	-0.11	jj
		V-S(br)	2.58	-0.26	-0.12
		V-V-S	84.73	45.14	3.70
		V-Cl	2.24	0.04	0.03
		Cl-V-V	93.67	-0.65	18.96
		V-S'	2.42	-0.20	-0.34
V2Cl4	Vanadium(II) chloride, dimer	V-Cl(t)	2.17	-0.01	-0.09	gggg
		V-Cl(b)	2.34	-0.05	0.12
		Cl(b)-V-Cl(b	98.10	-1.68	-23.51
V2Cl6	V2Cl6	V-V	3.48	-0.44	0.12	m
		V-Cl(br)	2.33	-0.08	0.02
		V-Cl(ter)	2.16	-0.08	-0.01
V2Cl9	V(IV)2Cl9(-) (DOTPAD)	V-Cl(t)	2.19	0.03	0.06	jj
		Cl-V-Cl	96.58	-1.14	5.63
		V-Cl(br)	2.46	-0.04	0.06
CrC6H18	Cr(III)C6(3-) (MCRLDX)	Cr-C	2.30	-0.12	-0.19	jj
CrN6H18	Cr(II)(NH3)6	Cr-N	2.21	0.04	-0.08	m
CrC12N6H30	Cr(III)N6 (SUKFEJ)	Cr-N	2.09	0.03	0.00	jj
		N-Cr-N	82.85	1.95	3.01
CrC6N15H18	Cr(III)N6(0) (BGUCRM)	Cr-N	3.02	-0.02	-0.08	jj
CrC2H6O2	Dimethyl chromium(VI) dioxide	Cr-C	1.98	0.10	0.01	m
		Cr=O	1.59	-0.01	-0.01
		O=Cr-C	107.94	-5.43	-3.44
CrO3	Chromium(VI) trioxide	Cr-O	1.63	-0.04	-0.02	a
CrC8H5O3	Cyclobutadiene chromium tricarbo	Cr-C(C=O)	1.86	0.08	0.02	m
		C-O	1.15	0.01	0.01
		Cr-C(C4H4)	2.23	0.13	0.03
CrC9H6O3	(C6H6)Cr(CO)3	Cr-Bz	1.69	0.16	0.06	nnnnn
		Cr-C	90.00	3.97	1.87
CrO4	Chromate ion	Cr-O	1.66	-0.01	0.01	ppp
CrN4O4	Cr(NO)4	Cr-N	1.75	-0.05	-0.06	m
		N-O	1.18	0.01	-0.01
CrH12O6	Cr(III)(H2O)6 (3+) (TAPBUH)	Cr-O	1.96	0.06	0.10	jj
CrH12O6	Cr(II)(H2O)6	Cr-O	2.11	0.03	0.03	m
CrC6O6	Chromium hexacarbonyl	Cr-C	1.92	0.09	-0.01	ooooo
CrC10H18O6	Cr(III)O3(1+) (BAPWIZ)	Cr-O	1.94	-0.05	-0.01	m
CrC14H14O6	Cr(III)O6(1+) (ATOLAW)	Cr-O(=C)	1.96	-0.01	0.03	jj
		Cr-O(-C)	1.97	-0.08	-0.03
		O-Cr-O	92.30	-7.86	-1.72
		Cr-O(H2)	2.00	0.07	0.11
CrC15H21O6	Cr(III)O6 (ACACCR)	Cr-O	1.95	0.00	0.05	jj
		O-Cr-O	91.67	-2.69	1.56
CrC10N2H12O8	Chromium(III) EDTA	Cr-N	2.12	0.01	-0.08	m
		N-Cr-N	86.48	-0.56	1.43
		Cr-O	1.94	0.00	0.06
CrC4H4O10	Cr(III)O6 (KOXACR)	Cr-O(-c)	1.92	0.02	0.06	jj
		O-Cr-O	83.42	-5.00	-1.91
		Cr-O(H2)	2.29	-0.07	-0.07
CrC6O12	Cr(III)(ox)3	Cr-O	2.01	-0.02	0.01	m
CrC6O12	Cr(III)O6 (AMOXCR)	Cr-O	2.01	-0.02	0.02	jj
		O-Cr-O	89.67	-4.49	-1.12
CrF	Chromium(I) fluoride	Cr-F	1.77	-0.10	-0.15	m
CrO2F2	Chromium dioxide difluoride	Cr-O	1.57	0.01	0.01	g
		Cr-F	1.72	-0.06	-0.12
		O-Cr-O	107.80	1.51	-1.52
		F-Cr-F	111.90	23.85	11.03
CrC2N2H12O2F2	Cr(III)N2F2O2 (BUTDAV)	Cr-F	1.88	-0.15	-0.18	jj
		Cr-O	2.00	0.11	0.22
		Cr-N	2.04	0.07	0.02
CrC2N2H8F4	CrF4N2 (DIYFEW)	Cr-F	1.89	-0.08	-0.07	jj
		Cr-N	92.14	-5.18	-2.77
CrH2OF5	Cr(III)F5O(2-) (YASHAB)	Cr-F	1.91	-0.15	-0.13	jj
		Cr-O	1.99	1.65	2.21
CrF6	Chromium(IV) hexafluoride	Cr-F	1.72	0.04	0.03	ppp
CrC12P4H34S2	Cr(II)S2P4(0) (JIYDOK)	Cr-S	2.39	-0.24	-0.46	jj
		Cr-P	2.36	0.08	0.05
		S-Cr-P	89.41	-0.42	1.12
CrC4H8S4	Cr(II)S4(2-) (CUWLIP)	Cr-S	2.39	0.02	-0.10	jj
		S-Cr-S	91.68	-1.85	-0.40
CrCl	Chromium(I) chloride	Cr-Cl	2.17	-0.23	-0.20	m
CrC6H3ClO4	Cr(CO)4ClMe (CATYOL)	Cr-Cl	2.44	-0.16	-0.08	jj
		Cr-C(O)	1.93	0.14	0.00
		C-Cr-Cl	86.26	2.59	-3.09
		Cr-CH3	1.71	-0.06	0.01
CrC10H15Cl2O	CrCpCl2O (AFEHIC)	Cr-Cl	2.25	-0.12	-0.20	jj
		Cl-Cr-Cl	96.48	-3.51	-1.81
		Cr-O	1.59	-0.03	-0.03
		Cr-C	2.24	0.11	0.03
CrCl2O2	Chromium(VI) dichloride dioxide	Cr-Cl	2.13	-0.09	-0.19	m
		Cr=O	1.58	0.01	0.01
CrC4N3H13Cl3	CrN3Cl3 (AMZCCR)	Cr-Cl	2.33	-0.12	-0.10	jj
		Cr-N	2.08	0.13	0.04
CrCl4	Cr(II)Cl4 (BAHVIP)	Cr-Cl	2.43	-0.13	-0.04	jj
		Cl-Cr-Cl	105.16	-14.79	-14.61
Cr2	Chromium, dimer	Cr-Cr	1.68	1.08	0.03	mmmmm
Cr2C10N4H12O3	Cr2(Cp)2(NO)3(NH2)	Cr-Cr	2.65	0.30	-0.21	ppp
		Cr-N	1.65	-0.02	-0.02
		N-O	1.20	-0.01	-0.01
		Cr-N	1.94	-0.06	-0.09
		N-O	1.12	0.08	0.08
Cr2C10N4H10O4	(Cp)2Cr2(NO)4	Cr-N(br)	1.90	-0.14	0.05	m
		Cr-N(ter)	1.71	-0.03	0.23
		Cr-C	2.25	0.10	-0.02
Cr2O7	Dichromate ion	Cr-O	1.75	0.02	0.06	ppp
		O-Cr-O	143.00	36.92	36.32
Cr2C10O10	Cr2(CO)10 dianion	Cr-Cr	3.22	-0.27	-0.17	m
Cr2C12H20O12	Cr(II)2O10(0) (ACETCR)	Cr-O	2.02	-0.12	0.06	jj
		Cr-O'	2.31	-0.16	0.19
Cr2Cl9	Cr(III)2Cl9 (ZEBRON)	Cr-Cr	3.15	-0.03	0.18	jj
		Cr-Cl(br)	2.31	-0.04	0.00
		Cr-Cl(t)	2.29	-0.02	0.02
Cr3O10	Trichromate ion	Cr-O	1.83	-0.01	0.05	ppp
		Cr-O	1.74	-0.03	0.00
MnN	Manganese(III) nitride	Mn-N	1.56	0.00	-0.04	m
MnN6H18	Mn(II)(NH3)6	Mn-N	2.16	-0.11	-0.01	m
MnO	Manganese(II) oxide	Mn-O	1.59	0.11	0.00	m
MnC9H12O	Mn(CO)C8 (BUTMNC)	Mn-C(O)	3.46	0.05	0.02	jj
		Mn-C	2.15	-0.01	-0.03
MnCH3O3	Methyl manganese(VI) trioxide	Mn=O	1.59	0.00	0.01	m
		Mn-C	1.99	-0.07	-0.06
MnC8H5O3	Mn(CO)3Cp (CPMNCO)	Mn-C(O)	1.79	0.05	0.02	jj
		C-Mn-C	91.39	-0.08	1.18
		Mn-C(ring)	2.14	0.04	0.04
MnC9H7O3	Mn(CO)3C5 (HEXMNC)	Mn-C(C5)	2.15	0.01	0.02	jj
		Mn-C(O)	1.78	0.06	0.04
MnO4	Permanganate anion	Mn-O	1.64	-0.03	0.00	hhhhh
MnC12N2H16O4	Manganese phenanthroline tetrahy	Mn-O	2.16	0.65	1.28	ppppp
		Mn-O	160.21	8.36	-9.35
		Mn-N	124.36	-7.31	-2.80
MnCN3O4	Mn(CO)(NO)3	Mn-N	1.70	-0.14	-0.06	m
		Mn-C	1.87	0.00	0.06
		C-Mn-N	105.95	0.47	1.68
MnC5HO5	Mn(CO)5H	Mn-H	1.58	-0.07	-0.02	qqqqq
		Mn-C(eq)	1.86	0.00	-0.02
		H-Mn-C(eq)	85.50	1.02	-1.97
		Mn-C(ax)	1.85	0.00	0.01
MnH12O6	Mn(H2O)6, 2+ion	Mn-O	2.14	-0.29	-0.09	ppppp
		Mn-O	2.19	-0.12	0.06
		Mn-O	2.20	-0.14	0.05
MnC6O6	Manganese hexacarbonyl, cation	Mn-C	1.91	-0.01	-0.02	m
MnC12N2H12O6	Mn(II)O4N2 (XOYHAU)	Mn-O	2.15	-0.04	0.17	jj
		O-Mn-O	85.41	-17.91	-22.23
		Mn-N	2.26	-0.17	-0.41
MnC10N2H12O8	Mn(III)EDTA(-) (EDTMNK01)	Mn-O	2.02	-0.08	-0.07	jj
		Mn-O'	1.89	-0.01	0.09
		O-Mn-O	88.33	-4.50	-3.98
		Mn-N	2.24	-0.33	-0.14
		N-Mn-O	77.47	5.11	6.16
MnC6H8O10	Mn(III)O6(-) (KAMMND)	Mn-O	1.90	-0.06	0.03	jj
		O-Mn-O	91.69	-1.56	-3.38
		Mn-O'	2.30	-0.03	0.14
MnF	Manganese(I) fluoride	Mn-F	1.76	-0.44	-0.04	m
MnOF2	Manganese(IV) oxide difluoride	Mn-O	1.55	0.05	0.02	m
		Mn-F	1.72	-0.29	0.01
		O-Mn-F	121.31	-3.04	2.89
MnC7HO5F2	Mn(CO)5C (CDFVMN)	Mn-C	1.72	0.13	0.13	jj
		Mn-C'	1.77	0.11	0.09
		C-Mn-C'	93.83	-0.81	-0.46
		Mn-C(CF)	1.94	0.06	0.03
MnC7O7F3	Mn(CO)4O (FACMNA)	Mn-O	1.81	0.04	0.01	jj
		Mn-C	2.03	-0.14	0.02
MnSi2C9H15O5	Mn(CO)4Si2 (KIRYUF)	Mn-Si	2.34	0.34	0.00	jj
		Si-Mn-Si	71.19	-4.14	-2.40
		Mn-O	2.95	0.03	0.04
MnP	Manganese(III) phosphide	Mn-P	1.97	0.55	0.00	m
MnS	Manganese(II) sulfide	Mn-S	1.99	0.07	0.02	m
MnC9H11SO2	Mn(CO)2SCp (VALXAI)	Mn-S	2.27	-0.05	-0.09	jj
		Mn-C(O)	1.77	0.07	0.02
		Mn-C(C4)	2.12	0.07	0.07
MnC7H5SO4	Mn(CO)2CpS (CPCSMN)	Mn-C	1.79	0.07	0.03	jj
		Mn-S	2.04	0.11	0.06
		S-Mn-C	90.99	2.26	1.62
		Mn-C'	2.10	0.09	0.08
MnC4N2H8S2O6	Mn(II)S2O4 (WIFSEJ)	Mn-S	2.61	-0.32	-0.40	jj
		Mn-O	2.20	0.07	-0.07
		O-Mn-S	87.32	3.82	-6.74
MnC7N2H12S4	Mn(III)S4N(-) (COWHOL)	Mn-S	2.32	-0.11	-0.04	jj
		S-Mn-S	157.49	7.52	-0.75
		Mn-N	48.14	-7.12	8.63
MnCl	Manganese(I) chloride	Mn-Cl	2.12	0.04	-0.69	m
MnC5ClO5	Mn(CO)5Cl (ZOSWEJ)	Mn-Cl	2.37	-0.15	-0.14	jj
		Mn-C	1.81	0.04	0.02
		Mn-C	1.89	-0.02	-0.03
MnC7H10S2ClO3	Mn(CO)3ClS2 (GEQLUJ)	Mn-Cl	2.38	-0.12	-0.07	jj
		Mn-S	2.39	-0.15	-0.13
		S-Mn-Cl	92.22	-0.93	3.60
		Mn-C	1.80	0.05	-0.01
MnCl2O	Manganese(IV) oxide dichloride	Mn-O	1.55	0.03	0.02	m
		Mn-Cl	2.10	-0.02	-0.22
		O-Mn-Cl	121.47	-4.80	-2.36
MnC12N4H12Cl2O	Mn(II)Cl2N4 (MUPYUR)	Mn-Cl	2.47	-0.28	-0.31	jj
		Mn-N(py)	2.26	-0.43	-0.33
		N-Mn-Cl	95.23	-2.44	-1.09
		Mn-N'	2.34	-0.55	-0.41
		N-Mn-N'	161.50	18.49	18.49
MnH8Cl2O4	Mn(II)(H2O)4Cl2(trans)	Mn-Cl	2.36	-0.06	-0.39	m
		Mn-O	2.10	-0.02	0.11
Mn2C8H12O8	Mn2(Ac)4	Mn-Mn	3.31	-0.16	1.14	rrrrr
Mn2C10O10	Mn2(CO)10	Mn-Mn	2.89	0.34	-0.19	m
Mn2C12O10	Mn2(CO)10C2 (JIPVOT)	Mn-C(O)	1.86	0.00	-0.02	jj
		Mn-C'(O)	1.83	0.00	0.00
		Mn-C(C)	85.89	-0.41	-0.54
Mn2C10O8F4	Mn2(CO)8(CF2)2 (DOFPET)	Mn-Mn	2.66	0.36	0.07	jj
		Mn-C(F2)	2.02	-0.08	-0.04
		C-Mn-Mn	49.41	-4.15	-3.02
		C-F	1.37	-0.05	-0.01
		Mn-C(O)	1.88	-0.01	-0.01
Mn2H8Cl6O4	Mn(II)2Cl6O4(=) (IPRAMN01)	Mn-Mn	3.74	-0.27	2.59	jj
		Mn-Cl	2.44	0.52	0.16
		Cl-Mn-Mn	131.61	-10.79	-24.97
		Mn-O	2.19	-0.19	0.18
FeH	FeH(+)	Fe-H	1.60	0.19	-0.44	rrr
FeH	FeH	Fe-H	1.63	-0.09	-0.55	rrr
FeC10H10	Fe(III)Cp2(+) (FERRIC)	Fe-C	2.06	0.15	0.02	jj
FeC10H10	Fe(C5H5)2 D5d	Fe-C	2.06	0.11	0.00	qqq
FeC17N2H16	Toluene-(2,2'-bipyridine)-iron(0	Fe-N	1.90	-0.03	-0.04	sssss
		N-Fe-N	81.90	-0.21	-5.34
		Fe-C	2.11	0.14	-0.04
		N-Fe-C	122.80	2.93	-15.42
FeN6H18	Fe(II)(NH3)6	Fe-N	2.10	-0.13	-0.06	m
FeC6N6	Fe(III)(CN)6(3-) (JIHPAR)	Fe-C	1.93	-0.01	-0.12	jj
FeC6N6	[Fe(II)(CN)6](4-)	Fe-C	1.99	-0.08	-0.05	m
		C-N	1.20	-0.02	0.00
FeC6N6H24	Fe(II)(en)3	Fe-N	2.13	-0.03	0.00	m
FeC36N6H24	Ferrous tris(ortho phenantholine	Fe-N	1.35	-0.01	0.00	m
FeO	FeO	Fe-O	1.62	0.05	0.04	rrr
FeHO	FeOH	Fe-O	1.83	0.00	-0.21	rrr
FeC9H12O	FeC9 (BUDFEC01)	Fe-C(O)	1.77	0.05	-0.10	jj
		Fe-C	2.06	0.07	0.02
		C-Fe-C	125.64	-0.34	-16.17
FeC9H12O	FeCO(1,3-C4H6)2	Fe-C	2.11	-0.02	0.09	m
		Fe-C(O)	88.75	-0.96	-9.06
FeCH5O2	Methyl iron(III) dihydroxide	Fe-O	1.75	0.03	0.00	m
		Fe-C	1.93	-0.06	-0.28
FeC8NH5O2	FeCp(CO)2(CN) (ACODUR)	Fe-C(N)	1.91	0.01	0.01	jj
		Fe-C(O)	1.78	0.01	-0.02
		C-Fe-C	89.17	-3.85	-14.98
		C-N	1.18	-0.03	-0.02
		C-O	1.17	-0.01	0.00
		Fe-C(Cp)	2.12	0.08	-0.06
FeC9NH8O2	FeCp(CO)2(MECN)(+) (CPACFE)	Fe-N	1.91	0.00	-0.07	jj
		N-C	1.20	-0.02	-0.03
		C-C	1.49	-0.02	-0.06
		Fe-C(O)	1.77	0.01	0.01
		C-O	1.14	0.01	0.02
		Fe-C(C4)	2.03	0.04	0.08
FeC7H4O3	Cyclobutadiene iron tricarbonyl	Fe-C(C=O)	1.79	-0.01	-0.05	m
		C-Fe-C	99.33	-7.13	-10.79
		Fe-C(C4H4)	2.06	0.18	0.02
FeC4O4	Fe(CO)4(2-) (FUZHUD)	Fe-C	1.75	-0.08	-0.31	jj
FeC4H2O4	Fe(CO)4H2	Fe-H	1.56	0.01	-0.20	ttttt
		Fe-C	89.89	0.17	-32.90
FeC6H4O4	Fe(CO)4(C2H4)	Fe-C2H4	2.13	-0.15	0.20	m
		Fe-CO	1.81	-0.05	-0.06
		Fe-C	1.80	0.03	0.00
FeC2N2O4	Fe(CO)2(NO)2	Fe-C	1.82	-0.02	-0.05	m
		C-Fe-C	98.72	-9.44	-8.24
		Fe-N	1.68	-0.02	-0.08
		N-Fe-N	108.97	22.96	-6.61
FeC16N5H11O4	FeN3O2	Fe-O	2.12	-0.02	-0.04	m
		Fe-O	1.92	0.02	0.03
		O-Fe-O	81.40	-5.22	-8.06
		Fe-N	1.89	0.04	-0.01
		Fe-N	2.43	0.01	-0.02
FeC5O5	Fe(CO)5 (FOJBOV)	Fe-C(eq)	1.81	-0.07	-0.05	jj
		Fe-C(ax)	1.81	-0.03	0.02
FeC7NH5O5	FeCp(CO)2(NO3) (CNOFEA)	Fe-C(O)	1.79	0.01	0.14	jj
		C-O	1.14	0.01	0.02
		Fe-O(NO2)	1.97	-0.02	-0.13
		Fe-C(Cp)	2.09	0.10	-0.02
FeH10O6	Fe(II)(H2O)4(OH)2	Fe-O(H)	2.02	-0.27	-0.01	m
		Fe-O(H2)	2.08	0.30	0.00
FeH11O6	Fe(II)(H2O)5.OH	Fe-O(H)	1.95	-0.13	-0.12	m
		Fe-O	2.05	0.18	0.12
FeH12O6	Fe(III)(H2O)6	Fe-O	2.06	0.00	-0.01	m
FeH12O6	Fe(II)(H2O)6, 2+ion	Fe-O	2.07	0.10	-0.06	ppppp
		Fe-O	2.15	-0.03	0.38
		Fe-O	2.16	0.07	0.03
FeC8H2O6	Fe(CO)3C2 (FCPENO)	Fe-C(O)	1.81	0.03	0.02	jj
		C-O	1.12	0.02	0.05
		Fe-C(C)	2.02	0.04	0.09
FeC10H18O6	Bis(acetylacetonateo) diaqua iro	Fe-O	2.03	-0.04	-0.03	uuuuu
		Fe-O	2.04	-0.05	-0.05
		O-Fe-O	88.40	6.00	-18.50
		Fe-OH2	2.21	0.15	-0.18
FeC10N4H10O6	Diaqua-bis(pyrazine-carboxylato)	Fe-O	2.11	-0.17	-0.12	vvvvv
		Fe-N	2.12	-0.19	-0.20
		O-Fe-N	78.10	4.54	-1.66
		Fe-OH2	2.14	0.16	-0.07
FeC10N2H12O8	Iron(III) EDTA	Fe-N	2.03	0.17	0.16	m
FeC6O12	Fe(III)(Ox)3	Fe-O	1.97	0.02	-0.06	m
		O-Fe-O	83.15	-0.64	16.66
FeC6H3O12	H3Fe(III)(Ox)3	Fe-O	1.92	-0.05	-0.03	m
		Fe-O	2.03	0.28	-0.04
FeF	Iron(I) fluoride	Fe-F	1.76	-0.15	-0.06	m
FeH10O5F	Fe(II)(H2O)5.F	Fe-F	1.89	-0.12	-0.07	m
		Fe-O	2.05	0.04	0.09
FeF2	FeF2	Fe-F	1.77	-0.13	-0.01	rrr
FeF6	Fe(III)F6 d5	Fe-F	2.06	-0.13	-0.12	m
FeC9H10SO2	FeCpS(CO)2 (CEYTFE)	Fe-S	2.30	0.03	-0.30	jj
		Fe-C(O)	1.75	0.03	-0.01
		C-Fe-S	90.69	-6.29	11.47
		C-O	1.15	0.00	0.02
		Fe-C(C4)	2.12	0.06	-0.08
FeC16N2H18S2O2	Dicarbonyl ethylenediamine bis(p	Fe-S	2.33	0.04	-0.13	wwwww
		Fe-S	2.34	0.02	-0.19
		Fe-N	2.04	0.02	0.13
		N-Fe-S	86.80	-1.66	-7.21
		Fe-N	2.03	0.04	0.05
		N-Fe-N	82.30	2.21	-2.52
		Fe-C	1.76	0.02	-0.01
		C-Fe-S	93.20	-4.30	-1.28
FeC12P4H34S2	FeP4S2 (JIYFAY)	Fe-S	2.35	-0.15	0.00	jj
		Fe-P	2.23	0.23	0.00
		P-Fe-S	89.43	-2.01	0.00
FeC9N3H18S3O3	Tris(N,N-dimethylthiocarbamato)-	Fe-S	2.43	-0.04	0.06	xxxxx
		Fe-O	2.09	-0.01	-0.21
		S-Fe-O	68.90	1.47	3.18
		S-Fe-S	103.10	0.16	-4.80
FeC12H14S4O2	FeS4C2 (CIBGAV10)	Fe-S	2.31	-0.06	-0.37	jj
		S-Fe-S	97.06	-6.40	-39.59
		Fe-C	1.80	0.04	-0.05
		C-Fe-S	88.14	0.10	-2.53
		C-O	1.17	-0.02	0.01
FeC14N6H16S6	Diisothiocyanato-bisthiazoline i	Fe-N	2.19	-0.27	-0.32	yyyyy
		N-Fe-N	73.90	7.56	27.05
		Fe-NCS	2.08	-0.28	-0.23
		SCN-Fe-NCS	97.40	-4.82	4.32
FeCl	Iron(I) chloride	Fe-Cl	2.13	-0.16	-0.43	m
FeH10ClO5	Fe(II)(H2O)5.Cl	Fe-Cl	2.29	-0.06	0.16	m
		Fe-O	2.06	0.03	0.01
FeCl2	FeCl2	Fe-Cl	2.16	-0.09	-0.22	g
FeC6N2H18Cl3	Fe(III)Cl3N2 (FINJIV)	Fe-Cl	2.23	-0.02	0.11	jj
		Cl-Fe-Cl	121.02	-1.21	-1.59
		Fe-N	2.27	-0.27	-0.31
FeCl4	Fe(III)Cl4(-)	Fe-Cl	2.19	-0.04	-0.09	jj
FeCl4	Fe(II)Cl4(2-) (GOXLUA)	Fe-Cl	2.34	0.05	-0.01	jj
Fe2C9O9	Fe2(CO)9	Fe-Fe	2.52	0.17	-0.05	zzzzz
		Fe-C(br)	2.02	-0.06	0.00
		Fe-C(t)	1.83	-0.04	-0.03
CoC10H10	Co(II)Cp2 (DCYPCO)	Co-C	2.08	-0.02	0.00	jj
CoC4N4	Co(V)(CN)4	Co-C	1.81	-0.16	-0.04	hhhhh
		C-N	1.20	-0.03	-0.04
CoC6N6H24	Co(II)(en)3	Co-N	2.06	-0.02	-0.04	hhhhh
CoC6N6H24	Co(III)N6(3+) (COTENC01)	Co-N	2.00	0.04	0.01	jj
		N-Co-N	90.19	-5.17	-2.32
CoC6N6H24	Co(II)N6(2+) (QICSOK)	Co-N	2.20	-0.16	0.04	jj
		N-Co-N	78.66	6.24	6.76
CoC9N6H15	Co(III)C3N3 (FEFRUD)	Co-N	2.01	0.12	0.05	jj
		N-Co-N	90.25	-3.05	1.90
		Co-C	1.89	-0.15	-0.05
CoN6H15O2	Co(III)N6(2+) (FAMYEX)	Co-N(O2)	1.95	-0.12	-0.16	jj
		Co-N(H3)	1.96	0.08	0.07
		N-Co-N	90.00	-6.38	-0.99
CoC4O4	Co(CO)4(-) (FUBYOQ)	Co-C	1.75	-0.32	0.15	jj
CoC3NO4	Co(CO)3NO	Co-C	1.81	-0.31	0.34	m
		C-Co-C	103.20	-0.53	-22.04
		Co-N	1.67	-0.07	-0.07
CoC6N4H14O4	Co(III)O2N4(+) (OXENCO)	Co-N	1.98	0.03	0.00	jj
		N-Co-N	86.04	-0.71	3.62
		Co-O	1.94	-0.07	0.01
CoC6N4H16O4	Co(III)N4O2(+) (AETXCO)	Co-O	1.92	-0.03	0.01	jj
		O-Co-O	84.75	2.90	3.04
		Co-N(H2C)	1.98	0.04	-0.02
		Co-N(H3)	1.95	0.09	0.05
		C-N(HC2)	1.92	0.12	0.02
CoC6N6H18O4	Co(III)N6(+) (NIXGEG)	Co-N(C3)	1.96	0.08	0.00	jj
		Co-N(CH2)	1.96	0.08	0.08
		N-Co-N	86.80	-2.65	-1.45
		Co-N(O2)	1.99	-0.09	-0.12
		Co-N(O2)	1.93	-0.02	-0.09
CoC5O5	Co(CO)5 cation	Co-C(eq)	1.83	-0.19	-0.01	m
		Co-C(ax)	1.89	-0.25	-0.07
CoC9N4H19O5	Co(III)N4CO (AMGXCO01)	Co-N	1.89	0.04	-0.01	jj
		N-Co-N	81.97	-2.14	0.82
		Co-C	1.98	-0.11	0.03
		Co-O	2.06	0.09	0.14
CoH12O6	Co(II)(H2O)6(2+) (NAZVOZ)	Co-O	2.06	-0.09	-0.17	jj
		Co-O'	2.12	-0.13	-0.14
CoH12O6	Co(II)(H2O)6	Co-O	2.12	-0.02	-0.01	m
		Co-O'	1.96	0.09	-0.03
CoC6N6H20O6	Co(III)N4O2(+) (NITNCO)	Co-N	2.00	0.04	-0.01	jj
		N-Co-N	87.67	0.58	1.33
		Co-O	1.90	0.05	0.09
CoC6O12	Co(iii)(ox)3	Co-O	1.95	0.02	0.03	m
CoF	Cobalt(I) fluoride	Co-F	1.91	-0.16	-0.07	m
CoSiC4O4F3	Co(CO)3Si (FUZMAO)	Co-Si	2.23	-0.01	0.00	jj
		Si-F	1.50	0.07	0.06
		F-Si-Co	114.79	-2.38	-7.11
		Co-C	1.79	-0.26	0.03
		C-O	1.11	0.06	0.02
CoC10H14S4	Co(II)S4 (TACACO10)	Co-S	2.17	0.08	-0.04	jj
		S-Co-S	96.85	-2.67	-1.85
CoC9H21S6	Co(III)S6 (MEDTCO10)	Co-S	2.30	0.04	-0.03	jj
		S-Co-S	89.82	-3.74	1.17
CoC3N3H6S6	Co(III)S6 (TDTCCO)	Co-S	2.29	0.03	-0.04	jj
		S-Co-S	76.32	1.06	3.55
CoCl	Cobalt(I) chloride	Co-Cl	2.07	0.01	-0.11	m
CoC4N5H19Cl	Co(III)N5Cl(2+) (ADETCO)	Co-Cl	2.28	-0.07	0.01	jj
		Co-N(H3)	1.97	0.06	0.05
		N-Co-Cl	87.71	-2.19	-3.77
		Co-N(C2H)	1.94	0.08	-0.01
		N-Co-N	94.31	-2.06	-0.63
		Co-N(H2C)	1.99	0.05	-0.01
CoClO	Cobalt(III) oxide chloride	Co=O	1.61	-0.05	-0.02	m
		Co-Cl	2.07	0.02	-0.25
CoN2H10ClO2F	Co(III)(NH3)2(H2O)2ClF	Co-Cl	2.23	-0.01	0.07	m
		Co-N	1.97	0.04	-0.01
		Co-F	1.85	-0.08	-0.01
		Co-O	1.97	0.03	0.03
CoC9P3H27Cl	Co(I)P3Cl (BUTDEZ)	Co-Cl	2.22	0.12	0.16	jj
		Co-P	2.24	0.00	0.04
		Cl-Co-P	113.84	-12.49	53.74
CoC2N4H8S2Cl2	Co(II)S2N2 (COTUCL11)	Co-Cl	2.26	-0.02	0.03	jj
		Co-Cl'	2.27	-0.05	0.17
		Cl-Co-Cl	107.74	-18.89	-2.74
		Co-S	2.30	-0.06	-0.19
		Co-C	3.31	-0.06	-0.15
CoC6N3H17Cl3	Co(III)N3Cl3 (AMPRCO)	Co-Cl	2.24	-0.01	0.06	jj
		Co-Cl'	2.31	-0.07	0.05
		Cl-Co-Cl	91.21	3.26	2.70
		Co-N	1.97	0.06	-0.02
CoC4N2H12SCl3	Co(III)SN2Cl3 (CATBAA)	Co-Cl	2.28	-0.06	0.04	jj
		Cl-Co-Cl	91.73	6.15	6.59
		Co-N	1.93	0.12	0.02
		Co-S	2.22	0.03	-0.20
CoCl4	Co(II)Cl4(2-) (DMDPCO)	Co-Cl	2.25	0.00	0.05	jj
Co2C8O8	Co2(CO)8	Co-Co	2.47	0.19	0.00	m
NiN4H12	Ni(II)(NH3)4	Ni-N	2.00	0.02	-0.04	m
NiC4N4	Ni(II)(CN)4	Ni-C	1.89	0.09	-0.05	m
		C-O	1.19	-0.02	-0.02
NiC5N5	Pentacyanonickelate(II) ion	Ni-C(ap)	2.17	-0.20	-0.25	A
		Ni-C(ba)	1.87	0.12	-0.03
NiN6H18	Ni(II)(NH3)6	Ni-N	1.96	0.19	0.00	m
NiC6N6H24	Ni(II)(en)3	Ni-N	2.19	-0.10	-0.10	m
NiC8N6H26	Ni(II)N6(2+) (AEAMNI10)	Ni-N	2.14	-0.07	-0.09	jj
		Ni-N'	2.05	-0.09	-0.07
		N-Ni-N'	81.59	16.19	4.29
NiC32N8H16	Nickel phthalocyanine	Ni-N	1.92	0.03	0.01	m
NiH6O4	cis-Ni(II)(OH)2.(H2O)2	Ni-O	2.01	-0.28	-0.07	m
		Ni-O	1.83	-0.09	0.05
NiH6O4	trans-Ni(II)(OH)2.(H2O)2	Ni-O	1.88	-0.16	-0.03	m
		Ni-O	1.94	-0.01	0.18
NiH8O4	Ni(II)(H2O)4	Ni-O	1.90	-0.07	0.16	m
NiC4O4	Ni(CO)4	Ni-C	1.84	0.02	0.01	B
NiC3NO4	Ni(CO)3NO	Ni-C	1.81	0.05	0.00	m
		Ni-N	1.88	-0.01	0.05
		C-Ni-N	108.55	10.18	-4.62
NiC13NH17O4	Ni(II)C4N (VAXSUI)	Ni-N	1.94	-0.08	-0.02	jj
		Ni-C	1.97	0.16	-0.04
		C-Ni-N	135.82	0.10	1.75
		Ni-C'	1.99	0.10	-0.05
NiC8N4H14O4	Ni(II)(DMG) (NIMGLO10)	Ni-N	1.85	0.00	0.03	jj
		N-Ni-N	83.06	1.83	1.52
NiH12O6	Ni(II)(H2O)6	Ni-O	2.09	-0.22	0.01	m
NiH12O6	Ni(II)O6(2+) (JERNID)	Ni-O	2.03	-0.12	0.08	jj
NiC10H18O6	Ni(II)O6 (AQACNI)	Ni-O	2.01	-0.17	-0.01	jj
		O-Ni-O	91.62	2.78	-0.96
		Ni-O(H2)	2.09	0.01	0.04
NiF	Nickel(I) fluoride	Ni-F	1.76	-0.10	-0.09	m
NiCH3F	Methyl nickel(II) fluoride	Ni-F	1.73	-0.11	-0.08	m
		Ni-C	1.86	0.06	0.08
		F-Ni-C	103.66	76.43	3.97
NiOF2	Nickel(IV) oxide difluoride	Ni=O	1.61	-0.15	-0.09	m
		Ni-F	1.73	-0.14	-0.07
		O=Ni-F	117.74	9.22	15.74
NiH4O2F2	cis-Ni(II)F2.(H2O)2	Ni-O	1.97	-0.06	0.00	m
		Ni-F	1.80	-0.16	-0.12
NiH4O2F2	trans-Ni(II)F2.(H2O)2	Ni-O	1.93	-0.08	0.16	m
		Ni-F	1.81	-0.18	-0.12
NiC3H8O2F2	Ni 2O and 2F	Ni-O	2.02	0.00	-0.09	m
		O-Ni-O	67.60	0.00	6.87
		Ni-F	1.77	0.00	-0.09
		F-Ni-O	95.79	0.00	2.57
		F-Ni-O-O	174.84	0.00	0.71
NiBC4N4H18OF4	Ni(II)OFN4(+) (ENFBNI)	Ni-F	2.12	-0.36	-	jj
		Ni-N	2.08	1.61	-
		F-Ni-N	91.69	70.69	-
		Ni-O	2.19	1.51	-
		O-Ni-F	83.33	6.03	-
NiF6	Nickel(IV) hexafluoride	Ni-F	1.70	-0.03	0.01	ppp
NiF6	Nickel(II) hexafluoride Guessed	Ni-F	1.90	4.66	0.01	rrr
NiSi2C14P2H40	Ni(II)P2C2 (DILDAD)	Ni-P	2.16	-0.04	0.08	jj
		Ni-S	3.19	0.02	0.02
		Ni-C	2.07	-0.02	-0.02
NiP4H12	Ni(II)(PH3)4	Ni-P	2.25	0.10	0.01	m
NiC8N2H14S2	Ni(II)S2N2 (BAEINI)	Ni-N	1.85	0.14	0.03	jj
		N-Ni-N	82.90	3.01	3.84
		Ni-S	2.17	-0.03	-0.02
NiC6N6H16S2	Ni(II)(en)2(NCS)2	Ni-N(en)	2.10	-0.05	-0.13	ppp
		Ni-N(NCS)	2.15	-0.14	0.29
		N-C	1.20	-0.01	-0.03
		Ni-N-C	140.00	-2.15	-51.93
		C-S	1.64	-0.02	0.01
NiC11N2H21S2O2	Ni complex (Square, 2S and 2N)	Ni-S	2.20	0.04	0.06	m
		S-Ni-S	93.46	-3.42	-1.25
		Ni-N	1.93	-0.04	0.01
		N-Ni-S	84.71	-1.06	-1.65
		N-Ni-S-S	-176.46	-6.57	-6.53
NiC11N2H21S2O2	Ni complex (Square, 2S and 2N fo	C-S-Ni	106.46	0.00	-1.30	m
NiC4H12S2F2	cis (Me2S)2NiF2	Ni-S	2.24	-0.07	-0.12	m
		S-Ni-S	93.17	30.06	1.36
		Ni-F	1.82	-0.17	-0.11
		F-Ni-S	87.58	15.04	-0.42
NiC4H12S2F2	trans (Me2S)2NiF2	Ni-S	2.23	-0.06	-0.11	m
		Ni-F	1.82	-0.17	-0.14
		F-Ni-S	89.32	11.76	-1.43
NiC7H16S2F2	Ni 2S and 2F	Ni-S	2.24	-0.06	-0.09	m
		S-Ni-S	91.03	15.17	-2.65
		Ni-F	1.81	-0.18	-0.13
		F-Ni-S	88.73	19.22	3.67
		F-Ni-S-S	176.44	-61.24	-3.50
NiC8P2H20S2	Ni(II)P2S2 (KUSLOZ)	Ni-S	2.18	0.10	0.06	jj
		Ni-P	88.87	-1.06	-1.83
		P-Ni-S	82.75	-17.60	0.26
NiC2N3S3	Ni(II)S2C2(-) (CUSJUV)	Ni-S	2.13	0.11	0.00	jj
		Ni-S'	2.14	0.15	0.09
		S-Ni-S	95.04	-5.31	0.98
		Ni-C	1.85	0.10	-0.03
NiH8S4	Ni(II)(H2S)4	Ni-S	2.27	0.02	-0.05	m
NiN4H2S4	Ni(ii)(N2S2H)2	Ni-S	2.20	-0.02	-0.03	m
		S-N	1.68	0.03	-0.06
		N-S	1.59	0.01	0.03
		Ni-N	1.66	0.00	0.04
		N-H	1.03	-0.01	0.00
NiC8N4S4	Ni(III)S4(-) (TROPNJ)	Ni-S	2.14	0.07	0.13	jj
		S-Ni-S	92.42	1.02	-0.31
NiC4S4O4	Ni(II)S4(2-) (TOXNIA)	Ni-S	2.19	0.04	0.03	jj
		S-Ni-S	92.45	5.20	-2.91
NiC10N2H20S6	Ni(II)S4Br2 (ZOTVUZ)	Ni-S	2.44	-0.12	-0.11	jj
		S-Ni-S	87.60	0.63	-1.40
		Ni-N	2.02	-0.12	-0.09
NiCl	Nickel(I) chloride	Ni-Cl	2.09	0.06	0.00	m
NiCH3Cl	Methyl nickel(II) chloride	Ni-Cl	2.09	0.08	-0.02	m
		Ni-C	1.94	-0.01	-0.02
		Cl-Ni-C	163.55	14.73	-61.84
NiH6ClO3	Ni(II)Cl.(H2O)3	Ni-O	1.93	-0.06	0.13	m
		Ni-O	1.99	-0.14	0.06
		Ni-Cl	2.13	0.05	-0.01
NiCl2O	Nickel(IV) oxide dichloride	Ni=O	1.62	-0.15	-0.04	m
		Ni-Cl	2.08	0.08	-0.05
		O=Ni-Cl	116.22	11.61	-1.73
NiH4Cl2O2	cis-Ni(II)Cl2.(H2O)2	Ni-O	2.01	-0.15	0.08	m
		Ni-Cl	2.16	0.04	0.02
NiH4Cl2O2	trans-Ni(II)Cl2.(H2O)2	Ni-O	1.92	-0.05	0.13	m
		Ni-Cl	2.20	0.00	-0.06
NiC4H12S2Cl2	cis (Me2S)2NiCl2	Ni-S	2.27	-0.09	-0.13	m
		S-Ni-S	87.28	43.60	0.27
		Ni-Cl	2.19	0.06	-0.03
		Cl-Ni-S	173.68	-73.89	3.91
NiC4H12S2Cl2	trans (Me2S)2NiCl2	Ni-S	2.26	-0.08	-0.11	m
		Ni-Cl	2.20	0.05	-0.04
		Cl-Ni-S	87.41	11.98	-1.69
NiC7H16S2Cl2	Ni 2S and 2Cl	Ni-S	2.27	-0.08	0.01	m
		S-Ni-S	87.72	19.95	10.42
		Ni-Cl	2.19	0.00	0.04
		Cl-Ni-S	173.79	-61.46	-69.30
		Cl-Ni-S-S	-79.93	-44.04	-27.78
NiH2Cl3O	Ni(II)Cl3.H2O	Ni-O	2.03	-0.11	0.10	m
		Ni-Cl	2.17	0.02	0.06
		Ni-Cl	2.26	-0.01	0.04
NiCl4	Nickel(II) tetrachloride D4h	Ni-Cl	2.29	0.00	0.04	m
Ni2C12H10O2	Ni2(Cp)2(CO)2	Ni-Ni	2.43	0.13	-0.05	m
Ni3C17H15O2	Ni3(Cp)3(CO)3	Ni-Ni	2.36	0.50	-0.01	m
		Ni-C(Cp)	2.17	-0.03	-0.05
		Ni-C(C=O)	1.91	0.16	-0.04
CuCH3	Cu-CH3	Cu-C	1.94	0.01	-0.01	C
CuNH3	Cu(+) - NH3	Cu-N	1.92	0.01	0.02	D
CuCNH3	Cu(+) - CH2NH	Cu-N	1.93	-0.06	-0.07	D
CuCNH5	Cu(+) - CH3NH2	Cu-N	1.95	-0.06	-0.04	D
CuN4H12	Cu(II)(NH3)4	Cu-N	2.10	-0.03	-0.09	m
CuC8N4H24	Cu(II)N4(2+) (ABUCUP)	Cu-N	2.02	0.00	-0.03	jj
		N-Cu-N	93.27	0.00	-4.26
CuN6H18	Cu(II)(NH3)6	Cu-N	2.37	-0.18	-0.04	m
CuC6N6H24	Cu(II)(en)3	Cu-N	2.06	0.14	0.02	jj
		Cu-N'	2.30	-0.11	-0.17
CuC32N8H16	Copper phthalocyanine	Cu-N	1.89	0.11	0.10	E
		N-C1	1.38	0.04	-0.01
		C1-C2	1.46	0.01	0.04
		C2-C3	1.39	0.03	0.04
		C3-C4	1.39	-0.01	-0.01
		C4-C5	1.39	0.02	0.03
		C5-C6	1.39	0.00	0.00
CuO	Cu-O	Cu-O	1.73	-0.12	-0.01	cccc
CuH2O	Cu(+) - H2O	Cu-O	1.93	0.09	0.02	D
CuCH2O	Cu(+) - CH2O	Cu-O	1.96	-0.12	-0.06	D
CuCH4O	Cu(+) - CH3OH	Cu-O	1.95	0.03	-0.02	D
CuH4O3	Copper (OH)2(H2O)	Cu-O(H2)	2.15	0.37	-0.15	hhhhh
		Cu-O(H)	1.89	-0.24	-0.06
		O-Cu-O	77.90	-10.16	-4.60
		Cu-O(H)	1.81	-0.20	-0.03
		O-Cu-O	138.50	-21.72	-32.53
CuH8O4	Cu(I)(H2O)4	Cu-O	2.60	-0.10	-0.55	m
		Cu-O'	1.96	0.30	0.08
CuC10H14O4	Cu(II)O4 (ACACCU)	Cu-O	1.90	2.65	-0.02	jj
		O-Cu-O	94.89	-38.40	1.64
CuC4N2H8O4	Copper cis-diglycine	Cu-O	1.95	-0.18	-0.09	m
		Cu-N	2.10	0.08	-0.10
		O-Cu-N	177.38	18.71	0.69
		Cu-N	2.11	0.02	-0.11
		O-Cu-N	84.11	-0.60	1.75
		N-Cu-O-N	-145.80	35.92	-3.42
		Cu-O	1.03	-0.01	0.01
CuC4N2H12O4	Cu(II)O4N2 (CUAMAC)	Cu-O	2.02	0.06	-0.06	jj
		Cu-N	1.99	0.06	0.02
		N-Cu-O	88.17	-1.02	-5.56
CuC16N5H11O4	Copper - 3N plus 2O	Cu-O	2.01	-0.13	-0.05	m
		Cu-O'	2.44	0.48	-0.30
		O-Cu-O'	77.86	-6.07	2.96
		Cu-N	1.92	-0.02	-0.07
		Cu-N	2.06	0.04	-0.10
		Cu-N	2.07	0.03	-0.11
CuC4N8H12O4	Cu(II)N4(2+) (BUKPOM)	Cu-N	1.98	0.05	-0.01	jj
		N-Cu-N	79.86	-5.11	0.64
CuC8N8H12O4	Cu(III)N4(-) (BIPLUH)	Cu-N	1.89	0.00	-0.02	jj
		N-Cu-N	96.07	4.35	3.49
CuH12O6	Cu(II)(H2O)6	Cu-O	2.17	-0.03	-0.11	m
		Cu-O'	2.00	0.22	-0.02
CuN2O6	Copper(ii) nitrate	Cu-O	2.00	0.02	-0.12	ppp
		O-Cu-O	70.00	-7.40	-3.63
		O-N	1.30	-0.02	-0.01
		O-N-O	120.00	-11.76	-10.16
CuC8N2H20O6	Cu(II)O4N2 (ABCOPD)	Cu-N	1.99	0.10	-0.01	jj
		Cu-O	2.00	-0.08	-0.09
		O-Cu-N	91.89	-1.92	1.90
		Cu-O'	2.45	0.00	-0.30
CuC6N4H14O6	Cu(II)O4N2 (AZNICU)	Cu-N	1.97	0.08	0.01	jj
		Cu-O	1.99	0.16	-0.03
		O-Cu-N	92.28	-3.13	-3.95
		Cu-N'	2.69	-0.06	-0.22
CuC4N6H16O6	Cu(II)N4O2 (COPDEN)	Cu-N	2.04	0.01	0.00	jj
		N-Cu-N	86.24	-0.05	0.47
		Cu-O	2.59	-0.02	-0.51
CuC4O8	Cu(II)O4(2-) (CACLIB)	Cu-O	1.95	-0.18	0.05	jj
		O-Cu-O	85.45	11.59	-4.26
CuF	Copper(I) fluoride	Cu-F	1.77	-0.08	-0.11	m
CuOF	Copper(III) oxide fluoride	Cu=O	1.70	-0.43	0.00	m
		Cu-F	1.75	-0.15	-0.25
CuF3	Copper(II) trifluoride, anion	Cu-F	1.84	-0.09	-0.12	m
CuF4	Copper(II) tetrafluoride, dianio	Cu-F	1.97	-0.05	-0.23	m
		F-Cu-F	91.98	16.98	-2.36
CuH4O2F4	Cu(II)F4(H2O)2	Cu-F	1.89	15.34	-0.27	ppp
		Cu-F	2.47	-0.68	-0.74
		Cu-O	1.93	0.39	1.57
CuS	Copper sulfide	Cu-S	2.05	0.03	-0.46	cccc
CuHS	Copper hydrogen sulfide	Cu-S	2.11	-0.01	-0.32	m
CuH2S	Cu(+) - H2S	Cu-S	2.21	-0.07	-0.79	D
CuCH4S	Cu(+) - CH3SH	Cu-S	2.24	-0.15	-0.87	D
CuH2S2	Cu(SH)2	Cu-S	2.13	-0.15	0.00	m
CuCl	Copper(I) chloride	Cu-Cl	2.08	0.00	-0.02	m
CuClO	Copper(III) oxide chloride	Cu=O	1.71	-0.38	-0.03	m
		Cu-Cl	2.10	-0.01	-0.13
CuCH3Cl2	Methyl copper(II) dichloride	Cu-C	2.00	-0.04	0.05	m
		Cu-Cl	2.24	0.02	0.00
CuC7N2H10Cl2	Cu(II)N2Cl2 (AEPYCC10)	Cu-Cl	2.27	-0.01	-0.14	jj
		Cl-Cu-Cl	92.79	89.81	1.67
		Cu-N	2.02	-0.07	-0.05
CuC6N3H15Cl2	Cu(II)N3Cl2 (CLAZCU)	Cu-Cl	2.27	0.12	-0.06	jj
		Cu-Cl'	2.31	0.03	-0.11
		Cl-Cu-Cl	94.24	25.80	10.30
		Cu-N	2.25	-0.19	-0.03
		N-Cu-Cl	105.83	-7.65	-6.20
		Cu-N'	2.06	0.05	-0.04
CuH4Cl2O2	Copper(II) dichloride, dihydrate	Cu-Cl	2.28	-0.12	-0.20	ppp
		Cu-O	1.93	0.25	0.04
CuC2H6Cl2O2	Cu(II)O2Cl2 (CETDCU10)	Cu-Cl	2.24	-0.06	-0.15	jj
		Cl-Cu-Cl	95.96	76.22	15.73
		Cu-O	1.96	0.23	0.05
		O-Cu-Cl	172.06	-65.93	-12.48
CuC4N8H12Cl2O2	Cu(II)Cl2O2N2 (AQCYCU)	Cu-Cl	2.87	0.00	-0.65	jj
		Cu-N	1.92	0.00	-0.06
		N-Cu-Cl	89.24	-0.01	0.30
		Cu-O	2.00	0.00	0.13
CuC6H14S2Cl2	Cu(II)Cl2S2 (BOSMIF)	Cu-Cl	2.23	-0.01	-0.02	jj
		Cl-Cu-Cl	99.34	68.56	15.50
		Cu-S	2.31	0.05	-1.07
		S-Cu-Cl	89.70	6.95	48.90
CuCl3	Copper(II) trichloride, anion	Cu-Cl	2.20	-0.01	-0.09	m
		Cu-Cl'	2.23	-0.04	0.02
CuCl4	Cu(II)Cl4(2-) (AGAWIO)	Cu-Cl	2.24	0.10	-0.04	jj
		Cl-Cu-Cl	99.25	9.57	-4.70
CuCl4	Copper(II) tetrachloride, dianio	Cu-Cl	2.38	-0.04	-0.11	m
		Cl-Cu-Cl	98.61	10.53	-9.20
Cu2	Cu-Cu	Cu-Cu	2.20	0.15	0.06	cccc
Cu2C10N4H20O10	Cu(II)2O10 (ACURCU02)	Cu-Cu	2.61	0.32	0.09	jj
		Cu-O(urea)	2.12	0.02	-0.05
		Cu-O(Ac)	1.91	0.03	-0.08
Cu2C12N2H28S2C	Cu(II)2N2O2Cl2S2 (BICTAI)	Cu-Cl	2.23	0.12	0.17	jj
		Cu-S	2.34	0.32	-1.12
		Cl-Cu-S	96.64	2.41	13.16
		Cu-O	1.93	-0.06	0.19
		O-Cu-Cl	160.15	-11.91	-28.36
		Cu-N	2.35	-0.23	0.08
		N-Cu-Cl	102.90	1.80	-8.06
Cu2Cl6	Cu(II)2Cl6(2-) (BPYCCU)	Cu-Cu	3.62	0.17	-0.08	jj
		Cu-Cl(t)	2.26	0.00	-0.08
		Cl-Cu-Cu	134.60	-8.67	-0.60
		Cu-Cl(br)	2.35	0.07	-0.04
		Cl-Cu-Cu	40.02	-0.95	0.16
Cu3Cl3	Copper(I) chloride, trimer	Cu-Cu	2.61	0.94	-0.03	m
		Cu-Cl	2.20	0.00	0.05
		Cu-Cu-Cl	54.10	-17.78	0.66
ZnC4H10	Diethylzinc	Zn-C	1.95	0.06	-0.04	F
		C-C-Zn	114.50	-1.66	1.37
		C-Zn-C	180.00	-0.02	-0.02
ZnC4H12	Zn(II)C4(2-) (LTMEZN)	Zn-C	2.07	0.18	0.14	jj
ZnC6H8	Cyclopentadienylmethylzinc	C-C	1.44	-0.06	-0.08	G
		C-Zn	2.28	0.47	0.54
		Zn-C(H3)	1.90	0.09	-0.01
ZnC6H14	Di-n-propylzinc	C-C-C	113.60	-2.43	-2.10	F
		Zn-C	1.95	0.06	-0.05
		Zn-C-C	114.50	-1.33	1.52
		C-Zn-C	180.00	0.10	0.00
ZnN4H12	Zn(II)N4(2+) (FUZCUY)	Zn-N	2.05	-0.02	0.00	jj
		N-Zn-N	108.97	0.24	1.02
ZnC6N6H24	Zn(II)(En)3	Zn-N	2.27	-0.09	-0.01	m
ZnC6N6H24	Zn(II)N6(2+) (CIBKIH)	Zn-N	2.21	-0.04	0.03	jj
		N-Zn-N	79.83	2.25	0.07
ZnC12N6H30	Zn[(C6H9)(NH2)3]2(++)	Zn-N	2.27	-0.09	-0.01	m
ZnC16N5H11O4	ZnN3O2	Zn-O	2.40	2.57	-0.08	m
		Zn-O	1.99	-0.06	0.04
		Zn-N	1.98	-0.07	-0.05
		Zn-N	2.16	-0.15	-0.09
ZnC10H16O5	Zn(II)O5 (ACACZM01)	Zn-O	2.02	0.27	0.32	jj
		O-Zn-O	107.70	-18.46	-17.44
		Zn-O	2.12	-0.21	-0.13
ZnH10O6	Zn(OH)2.(H2O)4	Zn-O(H)	1.94	-0.01	0.06	m
		Zn-O(H2)	2.34	-0.04	-0.08
ZnH11O6	Zn(II)(H2O)5.OH	Zn-O(H)	1.87	0.10	0.15	m
ZnH12O6	Zn(II)(H2O)6	Zn-O	2.14	-0.04	0.00	m
ZnH12O6	Zn(II)O6(2+) (ZNAQBS)	Zn-O	1.98	0.11	0.15	jj
ZnC4H10O6	Zn(II)O6 (ZNAQAC02)	Zn-O	2.20	-0.02	0.11	jj
		O-O	2.15	0.02	0.04
		O-O-Zn	60.78	-4.05	-5.93
		Zn-O	2.00	0.00	0.08
ZnC10N2H12O8	Zinc(II) (EDTA)	Zn-N	2.30	-0.28	-0.04	m
		Zn-O	2.08	-0.18	0.02
ZnC6H3O12	H3Zn(Ox)3	Zn-O	2.03	-0.18	0.05	m
		Zn-O	2.37	1.09	-0.13
ZnC4N2H12S2	Zn(II)S2N2 (XUSTAG)	Zn-S	2.29	-0.11	-0.10	jj
		Zn-N	2.05	0.10	0.08
		S-Zn-N	91.21	-0.41	-1.89
ZnC4N2H6S2O5	Zn(II)O3S2 (GAYZIP)	Zn-S	2.37	-0.09	-0.08	jj
		Zn-O	2.10	-0.02	-0.02
		O-Zn-S	84.69	2.70	-1.27
		Zn-O	1.99	0.26	0.23
ZnC3H9S3	[Zn(CH3S)3](-)	Zn-S	2.31	-0.10	-0.08	m
ZnC4H12S4	[Zn(CH3S)4](=)	Zn-S	2.49	-0.11	-0.07	m
ZnC12H22S4O2	Zn(II)S4O2 (TEDVIH)	Zn-S	2.54	-0.04	-0.05	jj
		S-Zn-S	88.23	1.54	-2.52
		Zn-O	2.09	-0.15	-0.09
		O-Zn-S	80.20	0.30	-2.33
ZnC11N2H23Cl	Zn(II)N2CCl (CLPDZN)	Zn-Cl	2.26	-0.04	0.00	jj
		Zn-N	2.16	-0.01	-0.01
		Zn-C	2.03	-0.02	-0.14
ZnC6NH14ClO3	Zn(II)O3NCl (CEAMZN)	Zn-Cl	2.27	-0.15	-0.05	jj
		Zn-O	2.14	-0.27	-0.26
		O-Zn-Cl	95.80	1.46	3.49
		Zn-N	1.49	-0.15	-0.12
ZnCl2	Zinc dichloride	Zn-Cl	2.06	0.00	-0.03	iiii
		Cl-Zn-Cl	180.00	0.00	0.00
ZnC4N2H6Cl2	Zn(II)N2Cl2 (ZNACET)	Zn-N	1.95	0.02	-0.04	jj
		N-Zn-N	100.91	20.57	12.66
		Zn-Cl	2.18	-0.02	0.03
ZnC5N2H14Cl2	Zn(II)N2Cl2 (CAHGEX)	Zn-Cl	2.21	-0.04	0.02	jj
		Cl-Zn-Cl	108.19	40.66	30.22
		Zn-N	2.02	0.03	0.06
ZnH4Cl2O2	Zn(II)O2Cl2 (DUCNEU)	Zn-Cl	2.20	-0.08	-0.05	jj
		Cl-Zn-Cl	122.54	28.00	35.39
		Zn-O	2.00	0.13	0.09
ZnC4N3H9SCl2	Zn(II)SNCl2 (CATSZN)	Zn-Cl	2.25	-0.04	-0.01	jj
		Cl-Zn-Cl	111.01	27.78	15.69
		Zn-S	2.30	0.01	0.03
		Zn-N	2.12	0.10	0.06
ZnC2N4H8S2Cl2	Zn(II)S2Cl2 (CLSTUZ)	Zn-Cl	2.31	-0.02	0.00	jj
		Cl-Zn-Cl	106.14	-9.30	2.16
		Zn-S	2.34	-0.10	0.01
ZnCl4	Zn(II)Cl4(2-) (ABDZNC20)	Zn-Cl	2.31	-0.03	0.08	jj
Zn2C12N4H24S8	Zn2[S2C-NMe2]4	Zn-S	2.42	-0.17	-0.02	m
		S-S	3.01	0.03	0.01
		S-C	1.73	0.01	-0.01
GaH	Gallium hydride	Ga-H	1.66	-0.14	-0.12	cccc
GaC3H9	Trimethyl gallium	Ga-C	1.99	-0.01	-0.03	m
GaC6H15	Triethyl gallium	Ga-C	2.00	-0.01	-0.03	m
GaC7H11	Ga(III)C3 (DMGACP)	Ga-C	1.97	0.00	-0.02	jj
		C-Ga-C	127.04	-4.30	-5.99
		Ga-C	2.21	-0.21	-0.25
GaC12H18	Ga(III)(C6)(+) (CUTTUG)	Ga-C	2.81	0.41	-0.31	jj
GaC9H11O2	Ga(III)O2C2 (BEZHAP)	Ga-C	1.96	0.01	0.00	jj
		C-Ga-C	133.31	2.26	-1.24
		Ga-O	2.02	-0.04	-0.05
GaH3O3	Ga(OH)3	Ga-O	1.81	0.00	-0.02	m
GaC3H9O3	Trimethoxy gallium	Ga-O	1.81	0.02	-0.01	m
GaC15H21O6	Ga(III)O6 (ACACGA)	Ga-O	1.96	-0.01	-0.01	jj
		O-Ga-O	91.27	2.27	5.21
		Ga-C	3.28	-0.04	-0.08
GaC18H12O6	Ga(III)(ortho-C6H4O2)3(3-)	Ga-O	2.06	-0.06	-0.06	m
GaC10N2H12O8	Gallium (III) EDTA	Ga-N	2.21	-0.06	-0.06	m
		Ga-O	1.96	-0.04	-0.04
GaC10N2H15O9	Ga(III)(EDTA) (EDTAGA01)	Ga-O	1.93	-0.01	-0.02	jj
		Ga-O	1.95	0.12	0.15
		O-Ga-O	94.99	-15.75	-8.39
		Ga-N	2.08	0.02	0.00
GaC6O12	Ga(III)O6(3-) (COKFIR)	Ga-O	1.97	0.02	0.01	jj
		O-Ga-O	82.59	-0.75	0.56
GaF	Gallium fluoride	Ga-F	1.77	0.00	0.00	cccc
GaC2H6F2	Ga(III)C2F2(-) (CUPQUZ)	Ga-F	1.84	-0.03	-0.03	jj
		F-Ga-F	98.74	3.83	4.07
		Ga-C	1.97	0.02	0.01
		C-Ga-F	106.98	0.10	0.94
GaC2NH6F2	[Ga(III)F2.(Me2N)](+)	Ga-F	1.75	0.00	-0.03	m
		Ga-N	1.96	-0.03	-0.02
GaF3	Gallium trifluoride	Ga-F	1.73	0.03	0.00	iiii
GaF6	Ga(III)F6(3-) (BUYFOQ01)	Ga-F	1.90	-0.03	-0.03	jj
GaC3H9SO2	Ga(CH3O)2(CH3S)	Ga-O	1.82	0.00	-0.01	m
		Ga-S	2.20	0.04	-0.01
GaH2SF2	[Ga(III)F2](+).H2S	Ga-F	1.75	0.00	-0.02	m
		Ga-S	2.39	-0.07	-0.09
GaC15N3H30S6	Ga(III)S6 (EDTCGA01)	Ga-S	2.46	-0.01	-0.04	jj
		S-Ga-S	73.79	-1.25	-0.90
GaCl	Gallium chloride	Ga-Cl	2.20	0.05	-0.01	cccc
GaC3H9Cl	Chlorotrimethyl gallium, anion	Ga-Cl	2.38	-0.10	-0.08	H
		Ga-C	2.05	-0.03	-0.05
GaC2H6Cl2	Dichlorodimethyl gallium, anion	Ga-Cl	2.28	-0.06	-0.03	H
		Ga-C	1.98	0.01	0.00
GaC5N2H15Cl2	Ga(III)CNCl2 (AFAJUM)	Ga-Cl	2.20	-0.06	-0.03	jj
		Cl-Ga-Cl	105.60	4.02	6.40
		Ga-N	2.02	0.07	0.08
		Ga-C	1.93	0.02	0.02
GaC10N2H23Cl2	Ga(III)N2Cl2 (ABISOT)	Ga-Cl	2.21	-0.08	-0.03	jj
		Cl-Ga-Cl	106.97	4.91	5.61
		Ga-N	2.02	0.04	0.04
		N-Ga-Cl	102.55	-3.76	-6.93
GaCl3	Gallium trichloride	Ga-Cl	2.14	-0.05	-0.04	m
GaCH3Cl3	Trichloromethyl gallium, anion	Ga-Cl	2.22	-0.05	-0.01	H
		Ga-C	1.93	0.04	0.04
GaNH3Cl3	Gallium trichloride-ammonia	Ga-N	2.06	0.00	0.04	g
		Ga-Cl	2.14	-0.03	-0.01
		Cl-Ga-Cl	86.25	20.67	18.34
GaCl4	Ga(III)Cl4(-) (AMIFIL)	Ga-Cl	2.13	0.02	0.05	jj
GaCl4	Gallium tetrachloride, anion	Ga-Cl	2.17	-0.02	0.01	H
Ga2C14N4H26	Ga(III)2N4C4 (DMPZGA)	Ga-Ga	3.84	-0.16	-0.05	jj
		Ga-C	1.96	0.03	0.01
		C-Ga-Ga	120.73	-3.35	-1.79
		Ga-N	1.99	0.02	0.00
Ga2O	Gallium(I) oxide	Ga-O	1.82	-0.06	-0.04	g
		Ga-O-Ga	142.90	36.93	37.95
Ga2C10N2H24O2	Ga(III)2N2O2C4 (BARNEO)	Ga-N	2.05	-0.04	-0.02	jj
		Ga-C	1.98	0.00	-0.01
		C-Ga-N	106.83	-1.28	-1.11
		Ga-O	1.89	0.05	0.05
Ga2C6H12O4	Ga(III)2O4C4 (DMGAOX)	Ga-O	2.05	-0.03	-0.04	jj
		O-Ga-O	78.47	3.89	7.20
		Ga-C	1.95	0.01	0.00
Ga2H4Cl2	Ga2Cl2H4	Ga-Ga	3.24	0.60	0.46	I
		Ga-Cl	2.35	0.13	0.06
		Ga-H	1.56	2.51	2.74
Ga2Cl6	Gallium trichloride, dimer	Ga-Cl(b)	2.30	-0.05	0.02	ppp
		Ga-Cl(t)	2.10	-0.01	0.00
GeH4	Germane	Ge-H	1.53	-0.01	0.00	J
GeCH6	Methylgermane	Ge-C	1.95	-0.01	0.01	qqq
		Ge-H	1.53	-0.01	0.00
		C-H	1.08	0.01	0.01
GeC2H8	Ethylgermane	Ge-C	1.95	0.00	0.03	d
		C-C	1.54	-0.03	-0.03
		Ge-C-C	112.20	-2.34	0.09
		Ge-H	1.52	-0.01	0.00
		H-Ge-C	109.70	-0.53	-1.74
GeC2H8	Dimethylgermane	Ge-H	1.53	-0.01	-0.02	K
		H-Ge-H	108.70	1.40	4.46
		Ge-C	1.95	-0.01	0.00
		C-Ge-C	110.00	0.06	-1.84
GeC3H10	Trimethylgermane	Ge-H	1.52	0.00	-0.01	d
		Ge-C	1.95	-0.01	0.00
		H-Ge-C	109.30	0.00	0.92
GeC4H12	Tetramethylgermanium	Ge-C	1.95	0.00	0.00	L
		C-H	1.12	-0.03	-0.03
GeCNH3	Cyanogermane	Ge-C	1.92	-0.05	-0.04	d
		C-N	1.16	0.00	0.00
GeN3H3	Germylazide	Ge-H	1.50	0.01	0.02	M
		Ge-N	1.87	0.01	-0.02
GeO	Germanium oxide	Ge-O	1.62	-0.06	-0.03	cccc
GeCNH3O	Germyl isocyanate	Ge-H	1.53	-0.01	-0.01	N
		Ge-N	1.83	-0.04	-0.04
GeC15H21O6	GeO6(+) (ACACGE)	Ge-O	1.87	-0.09	0.00	jj
		O-Ge-O	93.05	3.05	0.69
GeF	Germanium fluoride	Ge-F	1.75	-0.20	0.00	O
GeH3F	Fluorogermane	Ge-F	1.73	-0.22	0.04	g
		Ge-H	1.52	0.01	-0.01
		F-Ge-H	106.00	3.39	2.05
GeCH5F	Methylgermanium fluoride dihydri	Ge-F	1.74	-0.23	0.04	kkkk
		Ge-C	1.93	0.02	0.00
		C-Ge-F	106.05	2.11	-1.77
		Ge-H	1.52	0.01	-0.02
		C-Ge-H	113.92	-4.83	-1.26
GeC6NH12O3F	GeNO3F (GAQMEQ)	Ge-F	1.78	-0.38	-0.09	jj
		Ge-O	1.77	-0.04	0.02
		F-Ge-O	91.37	5.57	5.52
		Ge-N	2.01	0.19	0.18
GeC12H8O4F	GeN4F(-) (BEGLII)	Ge-F	1.73	-0.34	-0.02	jj
		Ge-O	1.84	-0.02	0.03
		O-Ge-F	100.09	-4.18	-8.95
GeF2	Germanium difluoride	Ge-F	1.73	-0.11	0.02	iiii
		F-Ge-F	97.20	-2.96	0.12
GeC2H6F2	Dimethylgermanium difluoride	Ge-F	1.74	-0.28	0.00	P
		F-Ge-F	105.40	0.87	-1.56
		Ge-C	1.93	0.04	-0.04
		C-Ge-F	107.40	2.10	0.11
GeC14N2H24O2F2	GeC2O2F2 (LIBZAX)	Ge-F	1.80	-0.35	-0.07	jj
		Ge-O	2.19	-0.15	-0.06
		O-Ge-F	90.30	-9.23	-14.05
		Ge-C	1.95	0.08	0.01
GeCH3F3	Trifluoromethylgermane	Ge-C	1.90	0.07	-0.04	g
		Ge-F	1.71	-0.29	0.00
		F-Ge-C	113.20	-2.57	-0.02
GeC10N2H10F4	GeF4N2 (HUMCOH)	Ge-F	1.77	-0.29	-0.04	jj
		F-Ge-F	89.93	-0.01	-1.28
		Ge-N	2.02	0.18	0.06
GeF6	GeF6(2-) (IWOQOA)	Ge-F	1.78	-0.20	0.00	jj
GeC3F11	GeC3F2(-) (FEXFUJ)	Ge-F	1.80	-0.37	-0.03	jj
		Ge-C	1.97	0.14	0.02
		C-Ge-F	92.14	-1.44	0.09
GeSiH6	Germylsilane	Ge-Si	2.36	0.00	3.40	d
		Ge-H	1.53	-0.01	-0.03
		Si-H	1.48	-0.02	0.00
GeSiF6	GeF3-SiF3	Ge-Si	2.41	0.05	-0.35	m
		Ge-F	1.76	-0.36	-0.02
		Si-F	1.60	-0.04	-0.05
GeS	Germanium sulfide	Ge-S	2.01	0.03	0.00	cccc
GeCNH3S	Germyl isothiocyanate	Ge-H	1.52	0.00	0.00	g
		Ge-N	1.82	-0.01	-0.03
		H-Ge-N	106.90	0.17	-0.87
		C-N	1.14	0.04	0.04
GePH3SF2	Difluoro(germylthio)phosphine	Ge-S	2.26	0.00	-0.01	g
		P-S	2.12	0.00	-0.05
		Ge-S-P	99.00	1.99	2.17
		Ge-H	1.54	-0.02	-0.01
		S-Ge-H	110.00	6.93	2.44
		P-F	1.59	-0.02	-0.01
		S-P-F	99.90	5.82	1.72
GeC6N2H6S2	GeC2S2 (ASOWAG)	Ge-S	2.29	-0.03	-0.01	jj
		Ge-C	1.94	-0.03	-0.04
		C-Ge-S	113.89	0.50	0.08
GeH3Cl	Chlorogermane	Ge-Cl	2.15	0.04	0.04	qqq
		Ge-H	1.54	-0.03	-0.02
		H-Ge-H	111.00	2.57	3.28
GeC3H9Cl	Trimethylchlorogermane	Ge-Cl	2.17	0.02	0.03	Q
		Ge-C	1.94	-0.02	-0.03
		C-Ge-Cl	106.60	-2.08	-1.32
GeC12H8ClO4	GeO4Cl(-) (CLDXGE)	Ge-Cl	2.18	-0.05	-0.05	jj
		Ge-O	1.84	-0.04	0.03
		O-Ge-Cl	102.71	-5.79	-8.45
GeClF3	Chlorotrifluorogermane	Ge-Cl	2.07	0.07	-0.01	d
		Ge-F	1.69	-0.31	0.00
		F-Ge-F	107.50	4.58	1.92
GeC12H8S2ClO2	GeS2O2Cl(-) (CUTKOR)	Ge-O	1.90	-0.05	0.00	jj
		Ge-S	2.23	-0.04	0.00
		O-Ge-S	89.42	0.45	-1.35
		Ge-Cl	2.19	-0.02	-0.02
GeCl2	GeCl2 (DIOXGC)	Ge-Cl	2.31	-0.09	-0.13	jj
		Cl-Ge-Cl	95.23	4.56	5.26
GeCl2	Germanium dichloride	Ge-Cl	2.19	0.04	0.00	iiii
		Cl-Ge-Cl	100.40	-0.20	0.06
GeC2H6Cl2	Dimethylgermanium dichloride	Ge-Cl	2.14	0.01	0.02	R
		Cl-Ge-Cl	105.00	-1.98	1.55
		Ge-C	1.93	-0.04	-0.04
		C-Ge-Cl	108.00	-0.48	-0.19
GeC4H8S3Cl2	GeCl2S2 (CTTGER)	Ge-Cl	2.15	0.00	0.00	jj
		Cl-Ge-Cl	97.76	-3.07	3.95
		Ge-S	2.19	-0.04	0.01
GeCl3	GeCl3(-) (FASSUO)	Ge-Cl	2.31	-0.03	-0.03	jj
		Ge-Cl	2.30	-0.01	-0.01
		Cl-Ge-Cl	100.84	-0.69	0.18
GeHCl3	Trichlorogermane	Ge-Cl	2.11	-0.01	0.01	d
GeCH3Cl3	Trichloromethylgermane	Ge-Cl	2.13	-0.02	0.00	d
		C-Ge-Cl	106.00	7.78	5.07
GeC3H5Cl3O2	GeCCl3 (BOSBIU01)	Ge-Cl	2.13	-0.02	0.00	jj
		Cl-Ge-Cl	106.46	9.34	2.91
		Ge-C	1.95	-0.03	-0.04
GeCl4	Germanium tetrachloride	Ge-Cl	2.11	-0.03	-0.01	S
MnGeC8O5F9	Mn(CO)5Ge (BUSVOA)	Mn-Ge	2.41	-0.01	0.00	jj
		Mn-C	1.86	0.02	0.01
		C-Mn-Ge	86.89	-0.14	0.78
		Mn-C'	1.86	-0.01	-0.02
Ge2H6	Digermane	Ge-Ge	2.40	0.03	0.08	qqq
		Ge-H	1.54	-0.02	-0.01
		H-Ge-H	106.40	3.10	4.40
Ge2C12H30	Hexaethyl digermane	Ge-Ge	2.49	-0.04	0.00	m
		Ge-C	2.01	-0.04	-0.05
Ge2C6H18O	Bis(trimethylgermanium) oxide	Ge-O	1.77	-0.11	-0.03	T
		Ge-O-Ge	141.00	39.11	26.89
		Ge-C	1.98	-0.03	-0.05
Ge2P2H6F2	1,1-Difluoro-2,2-digermyldiphosp	P-F	1.58	0.00	0.00	g
		P-P	2.18	-0.30	0.02
		P-P-F	98.90	10.65	1.17
		Ge-P	2.32	-0.04	-0.03
		Ge-P-P	95.70	30.51	4.37
		Ge-P-Ge	98.60	27.52	8.87
		Ge-H	1.51	0.01	0.02
Ge2C4H4Cl4	Ge2C4Cl4 (CGECHD10)	Ge-Cl	2.14	0.00	0.00	jj
		Ge-C	2.00	-0.11	-0.10
		C-Ge-Cl	109.83	-1.41	-0.67
Ge3PH9	Trigermylphosphine	P-Ge	2.31	-0.04	-0.01	g
		Ge-P-Ge	95.70	23.46	8.84
		Ge-H	1.49	0.03	0.04
		P-Ge-H	110.30	-3.17	-4.37
Ge3C3H6Cl6	Ge3C3Cl6 (FITGOF)	Ge-Cl	2.14	0.02	0.01	jj
		Cl-Ge-Cl	104.27	2.21	3.45
		Ge-C	1.93	-0.02	-0.03
AsH2	Arsine radical	As-H	1.52	-0.01	0.00	g
		H-As-H	90.70	6.45	5.29
AsH3	Arsine	As-H	1.51	0.01	0.00	U
		H-As-H	92.08	2.82	3.79
C3AsH9	Trimethylarsine	As-C	1.96	0.02	-0.01	ppp
		C-As-C	96.00	4.28	5.30
C4AsH12	As(V)C4(+) (MASINC10)	As-C	1.96	-0.07	-0.08	jj
AsNH4	AsH2-NH2	As-N	1.90	-0.08	-0.12	m
C3AsNH6	As(III)C3 (CNMARS)	As-C	1.93	0.04	0.01	jj
		C-As-C	104.77	-2.93	-1.95
C3AsN3	Arsenic tricyanide	As-C	1.90	-0.03	-0.04	ppp
		C-As-C	92.00	5.64	7.47
		As-C-N	171.00	5.56	6.30
C3AsH9O	As(V)C3O (ASOXCA)	As-O	1.66	-0.06	-0.03	jj
		As-C	1.86	0.07	0.05
		C-As-O	112.46	0.32	2.05
AsH3O3	As(OH)3	As-O	1.83	-0.05	-0.07	m
C6AsH7O3	As(V)O3C (ARSACP)	As-C	1.91	-0.03	-0.04	jj
		As-O	1.73	0.05	0.05
		O-As-C	106.59	-5.38	-8.10
		As=O	1.62	-0.05	-0.05
AsH2O4	As(V)O4(-) (DAYQAV)	As-O	1.70	0.14	0.14	jj
		As=O	1.66	-0.07	-0.06
		O-As=O	105.37	3.09	0.99
C4AsH9O5	As(V)O5 (HTOASP)	As-O	1.79	0.04	0.02	jj
		O-As-O	89.03	-1.38	-2.49
		As-O	1.71	0.07	0.06
AsF3	Arsenic trifluoride	As-F	1.71	0.01	0.01	ppp
		F-As-F	96.20	1.63	3.63
AsF5	Arsenic pentafluoride	As-F(ax)	1.71	-0.04	-0.07	qqq
		As-F(eq)	1.66	0.01	-0.01
AsF6	As(V)F6(-) (BONMOG)	As-F	1.70	0.02	0.00	jj
C3AsF9	Triperfluoromethylarsine	As-C	2.05	-0.06	-0.07	ppp
		C-As-C	100.00	-3.27	-0.54
Si3AsH9	Trisilylarsine	As-Si	2.35	-0.04	-0.02	g
		Si-As-Si	94.10	7.32	11.73
		Si-H	1.47	0.00	0.03
C4AsN2H10Cl	As(III)N2Cl (LEWVIS)	As-Cl	2.39	-0.18	-0.11	jj
		As-N	1.77	0.07	-0.03
		N-As-Cl	100.95	2.49	5.17
AsCl3	Arsenic trichloride	As-Cl	2.16	0.01	0.02	ppp
		Cl-As-Cl	98.70	-0.29	1.64
C3AsNH9Cl3	As(III)NCl3 (ASCTMA)	As-Cl	2.19	0.01	0.00	jj
		As-Cl	2.38	-0.20	-0.16
		Cl-As-Cl	93.50	1.48	5.42
		As-N	2.29	0.04	0.14
AsCl5	Arsenic pentachloride	As-Cl(eq)	2.21	-0.06	-0.05	m
		As-Cl(ax)	2.28	-0.10	-0.07
C2As2H6	AsAsC (ARSMET)	As-As	2.40	-0.10	-0.27	jj
		As-C	2.17	-0.21	-0.22
		C-As-As	97.04	10.06	7.46
As2O2F8	As(V)F4O2(2-) (PYDFAS)	As-As	2.69	0.11	0.14	jj
		As-F	1.77	-0.03	-0.04
		F-As-As	134.20	-0.40	-2.29
		As-F	1.71	0.02	0.01
		As-O	1.81	0.03	0.01
		O-As-As	42.00	-1.69	-3.18
C4As2F12	As(III)2C4 (HIRCIU)	As-As	2.46	0.15	-0.01	jj
		As-C	2.01	-0.01	-0.02
		C-As-As	91.92	3.45	6.68
C4As2H12S2	As(V)(III)C4S2 (DMSARS)	As-As	3.35	0.24	0.25	jj
		As-C	1.95	-0.01	-0.05
		C-As-As	141.88	-8.08	-7.34
		As-S	2.21	0.04	0.07
		S-As-As	42.50	-4.19	-3.46
TiC10As2H10F12	Ti(IV)Cp2F2 (VAJXEJ)	Ti-C	2.36	0.05	0.29	jj
		Ti-As	3.80	-0.02	-0.57
		As-Ti-C	84.86	-3.15	2.33
		Ti-F	2.00	0.06	0.11
		F-Ti-C	84.11	9.16	7.03
TiC18As2H34S2C	Ti(IV)As2S2Cl2 (CIRHUG)	Ti-As	2.69	0.01	0.02	jj
		Ti-Cl	2.32	-0.07	0.14
		Cl-Ti-As	83.64	2.36	-6.14
		Ti-S	2.33	-0.03	-0.10
		S-Ti-As	85.80	1.02	2.85
C5As3H9S3	As(III)S2C (MARSTA)	As-As	3.65	0.00	0.02	jj
		As-S	2.24	0.00	0.04
		S-As-As	35.62	-0.34	0.85
		As-C	1.99	0.00	-0.05
C2As4H4O4	As(III)O2C (ASOXAD)	As-As	3.39	-0.08	-0.06	jj
		As-C	1.96	0.01	0.01
		C-As-As	30.64	2.08	1.42
		As-O	1.80	0.00	0.02
As4O6	As4O6	As-O	1.84	-0.05	-0.03	m
C5As5H15	As(III)As2C (ASMETH)	As-As	2.44	0.09	-0.01	jj
		Al-As-As	99.99	5.75	6.54
		As-C	1.96	0.03	0.01
H2Se	Hydrogen selenide	SeH	1.46	0.00	0.00	ppp
		HSeH	91.00	2.77	-1.22
CSe	Selenium carbide	Se-C	1.68	-0.10	-0.03	cccc
CH4Se	Methylselenium hydride	C-Se	1.96	-0.02	-0.01	qqq
		C-H	1.09	0.00	0.01
		Se-H	1.47	-0.01	-0.01
C2H6Se	Ethyl selanol (anti)	Se-H	1.44	0.03	0.03	V
		Se-C	1.96	0.01	0.01
		H-Se-C	93.50	1.91	0.06
		Se-C-C	108.70	-0.65	0.75
C2H6Se	Dimethylselenium	Se-C	1.94	0.00	0.01	W
		C-Se-C	96.20	2.37	0.97
C4H4Se	Selenophene	Se-C2	1.85	0.04	0.04	d
		C5-Se-C2	87.80	-1.20	-1.12
		C2-C3	1.37	-0.02	-0.02
		Se-C2-C3	111.60	-0.22	-0.09
		C2-H	1.07	-0.01	0.01
		Se-C2-H2	121.70	-2.22	-0.10
C4H8Se	Tetrahydroselenophene	Se-C2	1.96	0.00	0.01	d
		C5-Se-C2	90.70	0.64	0.91
		C2-C3	1.55	-0.03	-0.02
		Se-C2-C3	104.00	2.15	2.40
NH3Se	SeH-NH2	Se-N	1.91	-0.03	-0.03	m
CNHSe	Isoselenocyanic acid (Se=C=N-H)	Se=C	1.72	0.02	0.01	g
		C=N	1.19	-0.01	-0.01
		N-H	0.99	-0.03	-0.01
SeO	Selenium oxide	Se-O	1.66	-0.05	-0.04	X
CSeO	Carbon oxyselenide	C-O	1.16	0.00	0.00	yyy
		C-Se	1.71	0.00	0.00
SeO2	Selenium dioxide	Se-O	1.61	-0.01	-0.01	cccc
		O-Se-O	113.80	-7.06	-8.64
SeO3	Selenium trioxide	Se-O	1.69	-0.10	-0.09	g
H6SeO6	Selenic acid (Se(OH)6)	Se-O	1.86	-0.06	-0.07	m
CSeF2	Selenocarbonyl difluoride	C=Se	1.74	-0.02	-0.01	g
		C-F	1.31	0.00	0.00
SeOF2	Selenyl fluoride	Se-O	1.58	0.02	0.03	qqq
		Se-F	1.73	-0.01	0.00
		F-Se-O	104.80	-5.51	-8.45
		F-Se-F	92.20	2.05	0.99
SeO2F2	Selenoyl fluoride (SeO2F2)	Se-F	1.69	0.00	0.01	g
		F-Se-F	94.10	2.18	4.27
		Se-O	1.57	0.01	0.01
		O-Se-O	126.20	3.87	0.61
SeF4	Selenium tetrafluoride	SeF	1.77	-0.04	-0.04	ppp
		FSeF	169.20	28.58	66.17
		SeF'	1.68	0.03	0.05
		F'SF'	100.55	-16.52	-22.95
SeF6	Selenium hexafluoride	Se-F	1.69	0.00	0.00	Y
SeF6	SeF6(=)	Se-F	2.02	-0.17	-0.19	m
C2SeF6	Diperfluoromethyl selenide	Se-C	1.96	0.03	0.00	ppp
		C-Se-C	104.00	-7.44	-5.95
SiSe	Silicon selenide	Se-Si	2.06	0.00	-0.01	d
Si2H6Se	Disilyl selenide	Se-Si	2.27	-0.07	0.04	ppp
		Si-Se-Si	97.00	4.60	-2.91
PHSeF2	Difluorophosphine selenide	P=Se	2.03	-0.03	-0.06	g
		P-F	1.56	0.01	0.03
		Se=P-F	116.80	-0.04	0.90
		P-H	1.42	0.04	0.05
		Se=P-H	118.60	9.04	4.48
		F-P-F	98.10	-5.52	-6.23
CSeS	Carbon sulfide selenide	C-S	1.53	0.00	0.00	d
		C-Se	1.70	0.00	0.00
SeCl2	Selenium dichloride	Se-Cl	2.16	0.08	0.07	g
		Cl-Se-Cl	99.60	-0.55	0.03
SeCl2O	Selenyl chloride	Se=O	1.57	0.02	0.04	jj
		Se-Cl	2.23	0.06	0.04
		O=Se-Cl	106.00	-4.09	-5.64
		Cl-Se-Cl	96.90	0.72	3.58
SeCl6	SeCl6(=)	Se-Cl	2.51	-0.10	-0.12	m
GeSe	Germanium selenide	Ge-Se	2.13	-0.46	0.23	d
C2H6Se2	Me-Se-Se-Me	Se-C	1.95	-0.01	0.00	ppp
		Se-Se	2.33	0.10	0.06
		Se-Se-C	99.00	1.36	1.70
MnC7H10Se2ClO3	Mn(CO)3ClSe2 (GONTIM)	Se-Se	3.46	0.08	0.22	jj
		Mn-Se	2.47	-0.01	0.02
		Mn-Se-Se	45.74	-1.79	-2.93
		Mn-Cl	2.40	-0.15	-0.15
		Cl-Mn-Se	82.69	0.61	-7.03
GeC7H16Se2	Tetramethyldiselenagermacyclohex	Se-C	1.97	-0.01	-0.01	Z
		Ge-Se	2.35	-0.11	0.02
		Ge-Se-C	92.40	3.44	4.49
		Se-Ge-Se	120.00	-6.81	-13.06
		Ge-C'	1.97	-0.01	-0.04
		Ge-C"	1.95	0.00	-0.03
		C'-Ge-C"	111.50	-5.15	-1.00
P4Se3	P4Se3	P1-Se	2.31	0.06	0.00	AA
		Se-P1-Se	99.70	-2.66	4.54
		P2-Se	2.31	-0.06	0.07
		P2-Se-P1	99.50	-2.07	-4.31
Se4Cl16	Se4Cl16	Se-Se	4.25	-0.19	-0.14	m
		Se-Cl	2.81	-0.18	-0.22
		Se-Cl'	2.25	0.00	0.00
HBr	Hydrogen bromide	HBr	1.42	0.04	0.03	cccc
BrHe	Helium bromide anion	He-Br	4.16	-0.36	-0.41	b
LiBr	Lithium bromide	Li-Br	2.17	0.08	0.00	BB
CH3Br	Bromomethane	C-Br	1.93	0.01	0.01	qqq
		C-H	1.09	0.00	0.01
		H-C-Br	107.71	0.94	1.46
C2HBr	Bromoacetylene	H-C	1.05	-0.02	-0.02	CC
		C-C	1.20	0.01	0.00
		C-Br	1.79	-0.02	-0.02
CNBr	Cyanogen bromide	Br-C	1.79	0.00	0.00	a
		C-N	1.16	0.00	0.00
LiC15N3H15Br	Li(I)N3Br (JEPROL)	Li-Br	2.42	0.08	0.10	jj
		Li-N	2.07	0.15	0.09
		N-Li-Br	113.17	-22.31	-54.82
LiC21N3H27Br	Li(I)N3Br (GAJYEV)	Li-Br	2.52	0.00	-0.01	jj
		Li-N	2.07	0.16	0.12
		N-Li-Br	110.07	-4.49	-8.62
C2HBrO	Bromoketene	C-Br	1.88	-0.01	-0.01	DD
		C-H	1.08	0.00	0.00
		H-C-Br	124.45	-9.76	-9.23
		C=C	1.32	0.00	0.00
		Br-C=C	118.45	0.95	2.60
		C=O	1.16	0.00	0.00
C2H3BrO	Acetyl bromide	C-C	1.52	-0.04	-0.03	qqq
		C-Br	1.97	0.00	0.03
		Br-C-C	111.00	3.02	-0.19
		C-O	1.18	0.00	0.00
		C-C-O	127.10	2.40	1.50
NBrO	BrNO	Br-N	2.14	-0.03	-0.09	qqq
		N-O	1.15	0.00	0.00
		Br-N-O	114.50	-1.03	5.47
LiC8H20BrO4	Li(I)O4Br (CESJUF)	Li-Br	2.56	-0.13	-0.17	jj
		Li-O	2.06	0.18	0.19
		O-Li-Br	120.15	0.60	-1.94
LiH10BrO5	Li(+)(H2O)5.Br	Li-O	2.21	0.23	0.13	m
		Li-Br	3.19	-0.44	-0.36
BrF	Bromine fluoride	Br-F	1.76	0.00	0.01	a
BrO3F	Perbromyl fluoride	Br-F	1.71	-0.02	-0.01	g
		Br=O	1.58	-0.01	-0.09
		F-Br=O	103.30	-2.16	-3.14
BrF3	Bromine trifluoride	Br-F	1.72	0.03	0.04	a
		Br-F'	1.81	0.00	-0.04
		F-Br-F'	86.21	-4.30	33.68
CBrF3	Trifluorobromomethane	C-Br	1.91	0.03	0.07	a
		C-F	1.33	-0.01	0.01
		F-C-Br	110.33	1.36	3.71
BrF5	Bromine pentafluoride	Br-F(ax)	1.70	0.02	0.08	g
		Br-F(eq)	1.77	0.00	-0.01
		F(ax)-B-F(eq	84.78	-2.00	3.83
BrNe	Neon bromide anion	Ne-Br	3.62	0.48	0.23	b
NaBr	Sodium bromide	Na-Br	2.50	-0.03	-0.51	BB
MgBr	Magnesium bromide	Mg-Br	2.36	0.10	0.03	a
MgC8H16BrO2	Mg(II)O2Br(+) (BASLIQ)	Mg-Br	2.54	-0.06	-0.22	jj
		Mg-O	2.07	-0.08	-0.12
		O-Mg-Br	97.69	29.14	26.76
MgC10H25BrO2	Mg(II)CBrO2 (EMGBRE10)	Mg-O	2.03	0.10	0.01	jj
		O-Mg-O	101.24	11.71	-1.63
		Mg-Br	2.48	0.14	0.00
			2.15	-0.06	-0.04
MgC10H25BrO2	EtMgBr.(Et2O)2	Mg-Br	2.48	0.14	0.00	EE
		Mg-C	2.16	-0.07	-0.05
		C-Mg-Br	124.00	9.22	11.55
		Mg-O	2.06	0.09	0.02
		O-Mg-C	95.58	-3.81	-5.09
		Mg-O	2.03	0.10	0.01
		O-Mg-Br	104.00	-9.70	-9.84
AlBr	Aluminum bromide	Al-Br	2.29	-0.10	0.00	a
SiBrF3	Trifluorobromosilane	Si-Br	2.16	0.01	-0.08	FF
		Si-F	1.56	0.00	0.00
		F-Si-Br	110.38	1.32	2.53
Si4C9H21Br	SiC3Br (BRMSAD)	SI-Br	2.20	0.01	0.06	jj
		Si-C	1.85	0.04	0.01
		C-Si-Br	110.16	-0.76	-2.88
		Si-Si	3.10	0.01	-0.09
SBrF5	Sulfur pentafluoride bromide	S-Br	2.30	0.01	-0.01	m
		S-F(eq)	1.65	-0.09	-0.07
		Br-S-F(eq)	90.95	-0.50	2.85
		S-F(ax)	1.64	-0.08	-0.05
PSBrF2	Thiophosphoryl monobromide diflu	P=S	1.88	-0.01	0.00	g
		P-F	1.54	0.01	0.01
		F-P-S	118.20	-1.02	-3.83
		P-Br	2.15	-0.01	0.03
		Br-P=S	118.20	6.52	3.62
BrCl	Bromine chloride	Br-Cl	2.14	0.01	0.04	a
CH2BrCl	Bromochloromethane	C-Cl	1.77	-0.01	0.00	GG
		C-Br	1.93	0.02	0.02
		Br-C-Cl	112.27	-0.56	-0.21
		C-H	1.07	0.02	0.03
BrAr	Argon bromide anion	Ar-Br	4.00	0.60	0.17	b
KBr	Potassium bromide	K-Br	2.87	-0.01	0.13	gggg
KH10BrO5	K(+)(H2O)5.Br	K-Br	3.27	0.00	0.00	m
CaBr	Calcium monobromide	Ca-Br	2.59	0.12	-0.01	eeeee
CaH10BrO5	Ca(++)(H2O)5.Br	Ca-O	2.43	-0.03	0.04	m
		Ca-Br	2.73	-0.01	-0.05
ScBr	Scandium(I) bromide	Sc-Br	2.40	-0.01	-0.07	m
ScBrO	Scandium(III) oxide bromide	Sc=O	1.69	-0.03	-0.02	m
		Sc-Br	2.51	-0.17	-0.05
		O=Sc-Br	123.17	56.85	-15.63
ScBrClF	Scandium F Cl Br	Sc-F	1.85	0.16	-0.01	hhhhh
		Sc-Cl	2.32	0.04	0.02
		Sc-Br	2.46	-0.10	0.00
TiBr	Titanium(I) bromide	Ti-Br	2.35	-0.10	-0.01	m
VBr	Vanadium(I) bromide	V-Br	2.39	-0.13	-0.05	m
VBrO2	Vanadium(V) bromide dioxide	V-Br	2.33	-0.01	-0.03	m
		V=O	1.61	-0.07	-0.04
VC9NH10BrO6	V(IV)O5N (AVIDUE)	V-N	2.05	0.12	-0.10	jj
		V=O	1.58	-0.01	-0.01
		O-V-N	102.78	-3.09	6.98
		V-O(CO)	2.06	-0.10	0.02
		V-O(C)	1.93	-0.08	-0.15
		V-O(H2)	2.09	0.01	0.03
CrBr	Chromium(I) bromide	Cr-Br	2.29	-0.12	-0.07	m
MnBr	Manganese(I) bromide	Mn-Br	2.25	0.03	0.31	m
FeBr	Iron(I) bromide	Fe-Br	2.23	0.17	-0.03	m
FeC6H5BrO3	FeC6Br (ALCFEA)	Fe-Br	2.50	-0.05	-0.04	jj
		Fe-C(C2)	2.13	-0.01	0.01
		C-Fe-Br	88.57	-0.51	20.31
		Fe-C(O)	1.79	0.02	0.04
		Fe-C(O)	1.79	-0.01	0.04
FeH10BrO5	Fe(II)(H2O)5.Br	Fe-Br	2.42	0.01	0.05	m
		Fe-O	2.06	0.03	0.01
FeC4H8BrO7	Diaqua-bromo-(oxydiacetato-O,O',	Fe-Br	2.37	-0.07	0.01	HH
		Fe-O	2.00	-0.13	-0.15
		Br-Fe-O	105.60	61.38	-7.03
CoBr	Cobalt(I) bromide	Co-Br	2.21	-0.06	-0.21	m
CoBrO	Cobalt(III) oxide bromide	Co=O	1.60	-0.03	0.00	m
		Co-Br	2.19	-0.03	-0.56
CoC4N4H8BrO5	Co(III)N4BrO (BUKPIG)	Co-Br	2.36	-0.06	-0.22	jj
		Co-O	1.96	0.18	0.15
		Co-N	1.91	0.01	-0.06
CoCH3BrOF	Methyl cobalt oxide fluoride bro	Co-O	1.60	-0.04	-0.02	hhhhh
		Co-F	1.75	-0.04	-0.05
		Co-Br	2.26	0.00	0.32
		Co-C	1.96	-0.23	0.03
CoPNH4SBr	Cobalt PH2 NH2 S Br	Co-N	1.79	0.10	0.08	hhhhh
		Co-Br	2.29	-0.04	-0.02
		Co-P	2.29	-0.05	-0.09
		Co-S	1.99	0.24	0.17
NiBr	Nickel(I) bromide	Ni-Br	2.20	0.01	0.01	m
NiCH3Br	Methyl nickel(II) bromide	Ni-Br	2.19	0.04	0.03	m
		Ni-C	1.85	0.08	0.06
		Br-Ni-C	107.65	73.09	-4.28
NiHSBr	Nickel SH Br	Ni-Br	2.24	-0.02	-0.01	hhhhh
		Ni-S	2.09	0.01	0.04
NiPNH5SBr	Nickel PH2 NH2 SH Br	Ni-P	2.30	-0.15	-0.02	hhhhh
		Ni-Br	2.33	-0.05	-0.08
		Ni-S	2.20	-0.12	-0.01
		Ni-N	1.83	0.00	0.04
NiC8N2H20S3Br	Ni(II)S3N2Br(+) (BRUCUB)	Ni-Br	2.58	-0.25	-0.15	jj
		Ni-N	2.07	-0.03	0.00
		N-Ni-Br	89.93	-3.45	-19.65
		Ni-S	2.39	-0.15	-0.09
		S-Ni-Br	89.38	3.08	12.87
		Ni-S'	2.44	-0.14	-0.12
CuBr	Copper(I) bromide	Cu-Br	2.20	0.09	-0.07	m
CuBrO	Copper(III) oxide bromide	Cu=O	1.70	-0.06	0.15	m
		Cu-Br	2.21	0.40	0.62
CuC8N2H20S3Br	Cu(II)S3N2Br(+) (BRUCUA)	Cu-Br	3.13	-0.36	-0.74	jj
		Cu-N	2.03	0.21	0.32
		N-Cu-Br	80.63	9.58	-13.73
		Cu-S	2.34	0.29	-1.10
		S-Cu-Br	90.25	-9.38	45.16
		Cu-S'	2.58	0.01	1.69
ZnC12N4H30Br	Zn(II)N4Br(+) (DAEAZN)	Zn-Br	2.45	-0.11	-0.08	jj
		Zn-N	2.11	0.04	0.06
		N-Zn-Br	97.41	-0.23	-0.18
GaBr	Gallium bromide	Ga-Cl	2.35	0.08	0.00	cccc
GeH3Br	Bromogermane	Ge-Br	2.30	0.08	0.02	g
		Ge-H	1.53	-0.02	0.00
		H-Ge-Br	106.30	-1.43	-0.20
GeC3H9Br	Bromotrimethylgermane	Ge-Br	2.32	0.06	0.02	d
		Ge-C	1.94	-0.01	-0.01
		Br-Ge-C	106.30	-1.33	0.17
GeC6NH12BrO3	GeO3Br (BUWCUR)	Ge-Br	2.36	-0.06	-0.11	jj
		Ge-O	1.81	-0.09	0.00
		O-Ge-Br	95.68	-1.19	2.19
		Ge-N	2.08	0.03	0.09
GeC12H8BrO4	GeO4Br(-) (CUTLAE)	Ge-Br	2.32	0.02	-0.04	jj
		Ge-O	1.81	-0.03	0.04
		O-Ge-Br	108.16	4.85	6.81
GeC5NH12S2Br	GeC2S2Br (KADKOP)	Ge-Br	2.42	0.01	-0.06	jj
		Ge-S	2.22	0.01	0.05
		S-Ge-Br	89.43	3.03	13.69
		Ge-C	1.96	-0.04	-0.06
C12AsH10Br	As(III)C2Br (BROPAR)	As-Br	2.40	-0.06	-0.03	jj
		As-C	1.96	0.00	-0.04
		C-As-Br	95.19	3.87	4.64
C5AsNH10S2Br	As(III)BrS2(+) (EDTCAS)	As-Br	2.40	-0.20	-0.15	jj
		As-S	2.27	0.08	0.09
		S-As-Br	99.50	6.40	8.97
Br2	Bromine	BrBr	2.28	0.05	0.05	a
Li2Br2	Lithium bromide, dimer	Li-Br	2.44	0.02	-0.01	m
		Li-Br-Li	109.98	-17.62	-12.76
BeBr2	Beryllium dibromide	Be-Br	1.91	0.02	0.01	a
CH2Br2	Dibromomethane	C-H	1.08	0.02	0.02	qqq
		H-C-H	113.60	-2.39	-3.65
		C-Br	1.93	0.01	0.01
		Br-C-H	106.49	2.00	2.35
Li2C12N4H32Br2	Li(I)2Br2N4 (SAJVEE01)	Li-Li	2.97	0.16	0.35	jj
		Li-Br	2.48	0.07	0.09
		Br-Li-Li	53.67	-0.59	-2.42
		Li-N	2.12	0.12	0.04
CBr2O	Carbonyl bromide	C-O	1.18	0.00	0.00	yyy
		C-Br	1.92	-0.01	0.01
		Br-C-Br	124.35	-2.37	0.37
C4Br2O2	1,2-Dibromocyclobutene-3,4-dione	C=C2	1.36	0.00	-0.01	II
		C2-C3	1.52	0.00	0.01
		C=C2-C3	94.40	-0.10	0.17
		C-Br	1.83	-0.01	0.00
		Br-C=C	133.00	2.36	3.41
		C-O	1.19	-0.01	-0.01
		O-C3-C2	135.00	1.96	2.16
BeC8H20Br2O2	Be(II)O2Br2 (QQQDPY01)	Be-Br	2.18	-0.11	-0.06	jj
		Br-Be-Br	111.54	5.29	9.40
		Be-O	1.65	0.07	0.04
Li2C12H24Br2O4	Li(I)2Br2O4 (DECXEO01)	Li-Li	3.21	0.49	0.41	jj
		Li-Br	2.52	0.16	0.31
		Br-Li-Li	51.13	-7.50	-7.75
		Li-O	2.01	0.06	0.11
Na2Br2	Sodium bromide, dimer	Na-Br	2.74	-0.11	0.04	gggg
		Br-Na-Br	101.60	-9.94	-12.84
MgBr2	Magnesium dibromide	Mg-Br	2.34	0.14	0.00	a
MgC8H20Br2O2	Mg(II)O2Br2 (MGBEET)	Mg-Br	3.03	0.00	0.00	jj
		Mg-Br	2.75	0.00	0.00
		Br-Mg-Br	89.04	0.01	0.01
		Mg-O	2.15	0.00	0.00
MgC10H22Br2O5	Mg(II)O5Br2 (GUPJAC)	Mg-Br	2.63	0.02	-0.09	jj
		Mg-O	2.25	0.00	-0.06
		O-Mg-Br	88.92	3.00	1.74
		Mg-O	2.19	0.05	-0.04
Si2C2H8Br2	SiH2CBr (ZUHPIB)	Si-Br	2.24	-0.04	-0.01	jj
		Si-C	1.85	0.02	0.01
		C-Si-Br	107.66	3.56	4.36
		Si-H	1.32	0.14	0.15
SBr2O	Thionyl bromide	S=O	1.45	0.00	-0.01	g
		S-Br	2.25	0.01	-0.08
		Br-S-O	107.60	-0.01	6.23
		Br-S-Br	2.25	0.01	-0.09
K2Br2	Potassium bromide, dimer	K-Br	3.20	-0.15	-0.05	gggg
		Br-K-Br	95.80	-10.33	9.41
CaBr2	Calcium dibromide	Ca-Br	2.62	0.04	-0.04	iiii
CaC12N2H18Br2O	Ca(II)N2O2Br2 (TAPKEA)	Ca-Br	2.89	-0.07	-0.14	jj
		Ca-O	2.34	0.01	0.03
		O-Ca-Br	94.58	-12.89	-19.45
		Ca-N	2.50	0.05	-0.28
TiBr2O	Titanium(IV) oxide dibromide	Ti-Br	2.38	0.02	0.01	m
		Ti=O	1.62	0.11	-0.02
CrBr2O2	Chromium(VI) dibromide dioxide	Cr-Br	2.28	-0.01	-0.12	m
		Cr=O	1.58	0.00	0.00
MnBr2	Manganese dibromide	Mn-Br	2.34	-0.10	-0.11	g
MnBr2O	Manganese(IV) oxide dibromide	Mn-O	1.55	0.02	0.01	m
		Mn-Br	2.24	-0.03	0.07
		O-Mn-Br	120.74	-7.45	4.02
MnH8Br2O4	Mn(II)(H2O)4Br2(trans)	Mn-Br	2.50	-0.10	-0.05	m
		Mn-O	2.10	-0.18	-0.02
FeBr2	FeBr2	Fe-Br	2.31	-0.02	-0.01	g
FeH8Br2O4	Fe(II)Br2.4(H2O)	Fe-O	2.07	0.09	0.00	m
		Fe-Br	2.50	-0.03	0.00
NiBr2	Nickel dibromide	Ni-Br	2.21	0.00	-0.03	g
NiBr2O	Nickel(IV) oxide dibromide	Ni=O	1.62	0.02	0.11	m
		Ni-Br	2.22	0.06	0.15
		O=Ni-Br	115.13	26.35	-63.12
NiC3H8Br2O2	Ni 2O and 2Br	Ni-O	2.07	-0.20	-0.04	m
		O-Ni-O	65.75	8.89	2.09
		Ni-Br	2.26	-0.04	0.04
		Br-Ni-O	164.30	-39.20	-73.20
		Br-Ni-O-O	-16.15	98.82	-94.02
		Br-Ni-O	98.86	-16.22	3.72
NiC4H12S2Br2	cis (Me2S)2NiBr2	Ni-S	2.29	-0.07	-0.13	m
		S-Ni-S	86.33	23.16	-3.64
		Ni-Br	2.33	-0.04	-0.02
		Br-Ni-S	173.76	-69.60	2.22
NiC4H12S2Br2	trans (Me2S)2NiBr2	Ni-S	2.26	-0.04	-0.11	m
		Ni-Br	2.35	-0.06	0.00
		Br-Ni-S	86.53	16.11	-2.18
NiC7H16S2Br2	Ni 2S and 2Br	Ni-S	2.28	-0.06	0.03	m
		S-Ni-S	81.92	18.40	8.57
		Ni-Br	2.33	-0.07	0.00
		Br-Ni-S	93.99	14.60	12.44
		Br-Ni-S-S	179.84	-65.80	-35.72
CuC6N2H16Br2	Cu(II)N2Br2 (BTMECU)	Cu-Br	2.42	0.03	-0.18	jj
		Br-Cu-Br	92.92	52.84	4.95
		Cu-N	2.10	-0.07	-0.07
		N-Cu-Br	91.63	12.35	-7.02
CuC7N2H10Br2	Cu(II)N2Br2 (BAEPYC)	Cu-Br	2.39	0.16	-0.11	jj
		Cu-N	44.01	18.17	-10.60
		N-Cu-Br	2.02	-0.02	-0.10
CuC6N3H15Br2	Cu(II)N3Br2 (BAZNCU)	Cu-Br	2.44	0.08	-0.16	jj
		Br-Cu-Br	93.28	23.77	20.44
		Cu-N	2.05	0.05	-0.04
		N-Cu-Br	166.25	-11.44	-6.48
		Cu-N'	2.23	-0.14	-0.05
CuC3NH6S2Br2	Cu(III)Br2(Me2N-CSS)	Cu-S	2.19	0.11	-0.26	ppp
		Cu-Br	2.31	0.55	0.03
ZnBr2	Zinc dibromide	Zn-Br	2.20	0.00	0.00	iiii
		Br-Zn-Br	180.00	0.00	0.00
ZnC5N2H14Br2	Zn(II)N2Br2 (CAHGIB)	Zn-Br	2.39	-0.07	-0.08	jj
		Br-Zn-Br	111.15	33.21	42.90
		Zn-N	2.00	0.08	0.06
ZnH4Br2O2	Zn(II)O2Br2 (CARYUP)	Zn-Br	2.33	-0.07	-0.03	jj
		Br-Zn-Br	120.84	35.85	39.22
		Zn-O	1.92	0.27	0.19
GeBr2	Germanium dibromide	Ge-Br	2.34	-0.13	-0.19	JJ
		Br-Ge-Br	101.20	23.68	32.71
C14As2H14Br2	As(V)C2Br3 (DMEASB)	As-C	1.92	0.01	-0.04	jj
		C-As-C	124.18	-3.37	-3.04
		As-Br	2.59	-0.13	-0.02
		Br-As-C	94.02	-5.14	-4.44
BBr3	Boron tribromide	B-Br	1.89	0.02	0.00	ppp
AlBr3	Aluminum tribromide	Al-Br	2.27	-0.16	-0.05	a
AlNH3Br3	Br3Al-NH3	Al-N	2.00	-0.05	-0.03	g
		Al-Br	2.26	-0.07	0.00
		Br-Al-Br	115.70	-0.97	-0.24
		N-H	1.06	-0.02	-0.02
		H-N-H	114.50	-4.73	-6.53
PBr3	Phosphorus tribromide	P-Br	2.22	0.01	-0.02	qqq
		Br-P-Br	101.00	2.55	3.48
PBr3O	Phosphorus oxybromide	P=O	1.46	0.02	0.03	g
		P-Br	2.17	-0.01	0.00
		O=P-Br	114.20	-0.38	0.34
PSBr3	Phosphorus thiotribromide	P=S	1.89	0.00	0.03	g
		P-Br	2.19	0.00	0.00
		S=P-Br	116.20	0.47	0.30
ScBr3	Scandium(III) tribromide	Sc-Br	2.44	-0.08	0.00	m
VBr3	Vanadium(III) tribromide	V-Br	2.29	-0.03	0.00	m
CrC6N3H15Br3	Cr(III)Br3N3(0) (MAMLER)	Cr-Br	2.44	-0.05	-0.11	jj
		Br-Cr-Br	98.58	-2.26	11.62
		Cr-N	2.10	0.09	-0.06
MnAlC6H3Br3O5	Mn(CO)4CBr (Al) (CMNCXA10)	Mn-Al	3.53	0.20	-0.15	jj
		Al-Br	2.22	-0.09	0.03
		Br-Al-Mn	140.21	-22.28	-1.36
		Al-Br'	2.31	0.20	0.04
		Mn-C	2.27	-0.15	-0.01
		Mn-C	1.87	0.00	-0.01
CuBr3	Copper(II) tribromide, anion	Cu-Br	2.34	0.06	-0.06	m
		Cu-Br'	2.37	0.14	0.15
GaNH3Br3	Gallium tribromide-ammonia	Ga-N	2.08	-0.01	0.00	g
		Ga-Br	2.29	-0.03	-0.01
		Br-Ga-Br	116.10	1.36	3.71
GeCH3Br3	Tribromomethylgermane	Ge-C	1.89	-0.01	0.01	g
		Ge-Br	2.28	0.05	0.02
		C-Ge-Br	111.60	0.25	-3.60
		C-H	1.12	-0.02	-0.02
AsBr3	Arsenic tribromide	As-Br	2.32	-0.02	0.00	g
		Br-As-Br	99.80	1.31	3.47
C6AsH4Br3	As(III)CBr2 (FAFWAK)	As-Br	2.34	-0.02	0.01	jj
		Br-As-Br	97.82	2.88	5.75
		As-C	2.00	-0.03	-0.08
CBr4	Carbon tetrabromide	C-Br	1.94	0.01	0.00	yyy
C2Br4	Tetrabromoethylene	C-C	1.36	-0.03	-0.03	qqq
		C-Br	1.88	0.00	0.00
		Br-C-C	122.40	0.52	0.79
Al2C4N2H12Br4	Al(III)Br2N2 (BRMAAL)	Al-Al	2.73	0.27	0.09	jj
		Al-Br	2.26	-0.09	0.00
		Br-Al-Al	123.42	0.66	-2.83
		Al-N	1.95	0.06	-0.02
SiBr4	Silicon tetrabromide	Si-Br	2.15	0.03	0.02	a
VBr4	vanadium(V) tetrabromide	V-Br	2.24	0.04	-0.02	m
VBr4	Vanadium(IV) bromide	V-Br	2.28	0.03	0.00	g
VBr4O	V(V)Br4O(-) (BEVXIJ)	V=O	1.55	0.01	0.00	jj
		V-Br	2.41	0.08	0.07
		O-V-Br	103.06	1.59	1.21
V2Br4	V2Br4	V-V	2.89	0.49	0.79	m
		V-Br(ter)	2.33	-0.08	-0.10
		V-Br(br)	2.42	0.09	0.04
CrC4H8Br4O4	Cr(II)Br4O2(2-) (CAGCIW)	Cr-Br	2.84	0.00	0.00	jj
		Cr_Br'	2.63	0.00	0.00
		Br-Cr-Br	90.08	0.06	0.02
		Cr-O	2.06	0.00	0.00
MnBr4	Mn(II)Br4 (=) (PYDMNB)	Mn-Br	2.50	-0.10	0.06	jj
FeBr4	Fe(III)Br4(-) (EPYMBF)	Fe-Br	2.31	0.05	0.08	jj
CoBr4	Co(II)Br4(2-) (BPYRBC10)	Co-Br	113.16	-19.88	-4.26	jj
CoBr4	Cobalt(II) tetrabromide	Co-Br	2.40	0.02	0.30	rrr
NiBr4	Nickel(II) tetrabromide D4h	Ni-Br	2.44	-0.03	0.01	m
CuBr4	Cu(II)Br4(2-) (AHUVUU)	Cu-Br	2.37	0.06	-0.16	jj
		Br-Cu-Br	133.40	-67.24	14.47
CuBr4	Copper(II) tetrabromide, dianion	Cu-Br	2.54	-0.05	-0.13	KK
		Br-Cu-Br	91.20	16.94	-0.50
Cu2Br4	Cu(I)2Br4(2-) (CEYWAE)	Cu-Cu	2.94	0.13	-0.26	jj
		Cu-Br(br)	2.44	0.04	0.08
		Cu-Cu-Br	53.33	-1.62	5.01
		Cu-Br(t)	2.32	0.17	0.14
Cu2C10N2H10Br4	Cu(II)2N2Br4 (BPYRCU)	Cu-Cu	3.64	-0.72	-0.99	jj
		Cu-Br	2.41	0.19	-0.17
		Br-Cu-Cu	132.03	-12.99	1.76
		Cu-N	2.00	-0.07	1.65
		N-Cu-Cu	134.05	-38.48	-41.00
		Cu-Br(br)	2.46	0.09	-0.04
		Br-Cu-Cu	42.32	12.51	16.82
Cu2C8N4H16Br4O	Cu(II)2N4Br4 (BGLXCU)	Cu-Cu	3.60	-0.21	-1.00	jj
		Cu-Br(br)	2.39	0.08	0.49
		Br-Cu-Cu	53.00	26.37	16.54
		Cu-Br(t)	2.37	0.18	0.50
		Cu-N	1.99	1.19	1.68
ZnBr4	Zn(II)Br4(2-) (BEYNUO)	Zn-Br	2.41	0.06	0.16	jj
GaBr4	Ga(III)Br4(-) (AGOGAE)	Ga-Br	2.31	-0.02	0.03	jj
Ga2C10N2H10Br4	Ga(III)2N2Br4 (BAWVEA)	Ga-Br	2.35	-0.05	-0.02	jj
		Br-Ga-Br	105.87	3.66	8.91
		Ga-N	2.02	0.02	-0.02
		Ga-Ga	2.42	0.00	-0.05
GeBr4	Germanium tetrabromide	Ge-Br	2.27	0.02	0.00	LL
GeC14N2H18Br4	GeN2Br4 (BOMQOJ)	Ge-Br	2.45	-0.05	-0.08	jj
		Ge-N	2.11	0.00	-0.11
		N-Ge-Br	90.48	10.62	16.48
Al2Br6	Al2Br6	Al-Br(br)	2.38	0.02	0.06	yyy
		Br-Al-Br	82.00	7.97	7.13
		Al-Br(t)	2.22	-0.10	0.00
		Br-Al-Br	128.87	-14.21	6.90
TiBr6	Titanium(IV) hexabromide	Ti-Br	2.60	-0.06	0.00	hhhhh
VBr6	Vanadium(V) hexabromide	V-Br	2.50	-0.04	-0.03	hhhhh
CrBr6	Cr(III)Br6(3-) (YIBWOV)	Cr-Br	2.52	0.05	0.13	jj
Ga2Br6	Gallium tribromide, dimer	Ga-Br(b)	2.45	-0.05	0.04	ppp
		Ga-Br(t)	2.25	-0.02	0.00
Ge2C3H4Br6O2	Ge2Br6C (COJLOC)	Ge-Br	2.27	0.04	0.01	jj
		Br-Ge-Br	108.43	-0.58	2.33
		Ge-C	1.98	-0.07	-0.02
SeBr6	SeBr6(=)	Se-Br	2.68	-0.12	-0.21	m
As2Br8	As(III)Br5(2-) (CODDEE)	As-As	4.67	-0.29	-0.45	jj
		As-Br	2.35	0.03	0.04
		Br-As-As	88.33	3.83	12.31
		As-Br	3.15	0.14	-0.19
		Br-As-As	43.13	-9.88	-6.57
Cu4Br10	Cu(II)4Br10(2-) (CIVNAW10)	Cu-Cu	3.60	-0.58	-0.79	jj
		Cu-Cu	3.49	-0.54	-0.81
		Cu-Br	93.65	83.70	10.22
		Br-Cu-Cu	2.58	-0.05	-0.12
		Cu-Br'	-176.04	-15.52	0.60
LiKr	Krypton Lithium, cation	Kr-Li	2.53	0.37	0.00	b
FKr	Krypton fluoride anion	Kr-F	2.86	-0.02	-0.04	b
NaKr	Krypton sodium, cation	Kr-Na	2.92	-0.01	0.08	b
ClKr	Krypton chloride, anion	Kr-Cl	3.90	0.02	-0.06	b
KKr	Krypton potassium cation	Kr-K	3.45	0.02	0.03	b
BrKr	Krypton bromide, anion	Kr-Br	3.87	0.17	0.14	b
RbH	Rubidium hydride	Rb-H	2.37	-0.41	0.04	cccc
RbCH3	Methyl rubidium	Rb-C	2.94	-0.06	-0.33	m
RbC5H5	Rubidium cyclopentadienide	Rb-C	3.09	0.21	-0.20	m
RbHO	Rubidium hydroxide	Rb-H	2.30	0.00	0.08	cccc
		O-H	180.00	0.00	0.00
RbBO2	RbBO2	Rb-O	2.57	-0.19	-0.06	g
		B=O	1.26	-0.05	-0.04
RbC16N2H26O5	Rb(I)O4N2(+) (CAGFIA)	Rb-N	3.10	0.69	0.50	jj
		Rb-O	2.99	0.00	0.69
		O-Rb-N	109.06	-5.07	-12.42
RbC12H24O6	Rb(I)O6(+) (CABJAR)	Rb-O	2.83	0.22	0.37	jj
RbC17H29O6	Rb(I)(Cp)O6 (QEXTIW)	Rb-C	3.14	0.26	-0.20	jj
		Rb-O	3.01	0.20	0.41
		O-Rb-C	93.17	-8.45	-6.03
RbC16NH28O6	Rb(I)O6(C4N) (YAKWUD)	Rb-N	3.00	0.51	-1.17	jj
		Rb-O	3.06	0.14	0.37
		N-Rb-O	80.79	27.83	10.21
RbC20NH30O6	Rb(I)O6N (IMAWAU)	Rb-N	2.85	0.85	-1.10	jj
		Rb-O	2.93	0.72	1.11
		O-Rb-N	81.84	9.51	17.13
RbC18N2H36O6	Rb(I)O6N2(+) (EHENAG)	Rb-C	2.78	0.36	0.41	jj
		Rb-N	2.85	0.28	0.42
		Rb-O	3.02	0.21	-0.96
RbC18N2H36O6	Rb(0)O6N2 (EBEWOX)	Rb-N	3.05	0.27	-0.99	jj
		Rb-O	2.89	0.74	1.39
		O-Rb-N	119.04	4.30	9.02
RbF	Rubidium fluoride	Rb-F	2.27	-0.39	-0.08	cccc
RbAlF4	Rubidium tetrafluoroaluminate	Rb-F(br)	134.79	0.90	-14.32	g
		F-Al(br)	45.21	-3.36	1.62
RbC4N4S4	Rb(I)N4(3-) (ZIFKII)	Rb-N	1.94	1.55	0.03	jj
RbCl	Rubidium chloride	RbCl	2.79	0.04	0.12	cccc
RbBr	Rubidium bromide	Rb-Br	2.94	0.37	0.07	cccc
Rb2C29H53O12	Rb(I)O6(Cp) (QIRFIG)	Rb-Rb	5.94	0.49	-0.50	jj
		Rb-O	2.89	0.60	0.96
		Rb-C	3.18	0.27	-0.21
Rb2F2	Rubidium fluoride, dimer	Rb-F	2.61	-0.29	-0.25	m
		F-Rb-F	87.16	-22.88	-18.90
Rb2Cl2	Rubidium chloride, dimer	Rb-Cl	3.14	-0.02	-0.06	m
		Cl-Rb-Cl	92.97	-12.11	-7.20
Rb2Br2	Rubidium bromide, dimer	Rb-Br	3.31	0.16	-0.11	m
		Br-Rb-Br	93.81	-7.13	-9.95
Rb4C16H36O4	Rb(I)O3 (SOGKUU)	Rb-O	2.76	0.16	0.25	jj
		O-Rb-O	89.08	-15.21	-5.78
SrC2H6	Dimethyl strontium	Sr-C	2.52	-0.13	0.01	m
		C-Sr-C	113.27	67.71	66.17
SrC28N2H32	Sr(II)(Cp)2N2 (TEYYEB)	Sr-N	2.66	0.00	-0.02	jj
		N-Sr-N	94.85	-3.69	12.87
		Sr-C	2.82	0.04	0.37
SrC22N4H42	Sr(II)N4 (WAGCIR)	Sr-N	2.49	0.00	0.06	jj
		N-Sr-N	75.81	3.98	6.06
SrC8N8H32	Sr(II)N8(2+) (TAQNAA)	Sr-N	2.72	0.07	0.09	jj
		N-Sr-N	64.45	2.79	1.46
SrC12N9H39	Sr(II)N9(2+) (TAPMOM)	Sr-N	2.78	0.07	0.10	jj
SrO	Strontium oxide	Sr-O	1.92	-0.14	0.00	a
SrHO	Strontium hydroxide radical	Sr-O	2.10	-0.26	-0.01	g
		O-H	0.94	-0.07	-0.10
SrC26H42O2	Sr(II)(Cp)2O2 (VOLNOZ)	Sr-C	2.85	-0.07	-0.13	jj
		C-Sr-C	84.49	11.54	32.92
		Sr-O	2.54	-0.40	-0.04
SrH12O6	Sr(II)(H2O)6	Sr-O	2.59	-0.38	-0.07	m
SrC12N2H30O6	Sr(II)O6N2(2+) (SUTZIQ)	Sr-N	2.78	-0.01	0.03	jj
		Sr-O	2.58	-0.34	0.01
		N-Sr-O	116.99	-5.14	-11.85
SrH16O8	Sr(II)O8(2+) (POXKOC)	Sr-O	2.62	-0.31	0.03	jj
		O-Sr-O	71.89	-0.15	18.67
SrC12N6H36O9	Sr(II)O9(2+) (WAZFUY)	Sr-O	2.55	-0.12	0.05	jj
		Sr-O	2.67	-0.33	0.01
		O-Sr-O	78.70	-1.44	-0.64
SrC10H30O10	Sr(II)O8(2+) (NASYEL)	Sr-O	2.55	-0.25	0.03	jj
		O-Sr-O	63.98	6.33	2.45
SrH10O5F	Sr(II)(H2O)5.F	Sr-F	2.15	-0.37	-0.02	m
		Sr-O	2.69	-0.43	0.00
SrH8O4F2	cis-Sr(II)(H2O)4.F2	Sr-F	2.35	-0.55	-0.21	m
		Sr-O	2.57	0.21	-0.01
		F-Sr-F	131.34	18.98	9.29
SrB2C20N12H20F	Sr(II)N6F3 (UDIRAA)	Sr-F	2.45	-0.41	-	jj
		Sr-F	2.80	1.33	-
		F-Sr-F	70.30	48.47	-
		Sr-N	2.76	0.34	-
		N-Sr-F	116.23	-8.43	-
SrC30N4H18O4F1	Sr(II)O4N4 (NUPSAS)	Sr-O	2.53	-0.41	-0.06	jj
		Sr-N	2.73	0.39	0.02
		O-Sr-N	148.98	9.65	-2.31
SrC20H16O8F12	Sr(II)O8(2-) (RIZHAJ)	Sr-O	2.53	-0.33	-0.12	jj
		O-Sr-O	68.24	7.57	2.30
SrS	Strontium sulfide	Sr-S	2.44	-0.04	0.00	a
SrC28H42S2O4	Sr(II)O4S2 (YUGMOC)a	Sr-O	2.58	-0.31	0.07	jj
		Sr-S	2.95	-0.24	-0.07
		O-Sr-S	80.44	5.26	1.83
SrC10N2H20S2O6	Sr(II)O6N2 (FUYDAE)	Sr-O	2.52	-0.34	0.10	jj
		Sr-O	2.67	-0.41	0.03
		O-Sr-O	151.47	-10.59	-9.09
		Sr-N	2.62	0.21	-0.08
SrH10ClO5	Sr(II)(H2O)5.Cl	Sr-Cl	2.75	-0.09	-0.01	m
		Sr-O	2.64	-0.45	0.09
SrCl2	Strontium dichloride	Sr-Cl	2.62	-0.15	-0.01	iiii
		Cl-Sr-Cl	120.00	60.93	61.56
SrH8Cl2O4	cis-Sr(II)(H2O)4.Cl2	Sr-Cl	2.79	-0.09	-0.02	m
		Sr-O	2.62	-0.44	-0.02
		Cl-Sr-Cl	117.29	3.54	-1.79
SrBr	Strontium monobromide	Sr-Br	2.71	-0.23	0.06	a
SrH10BrO5	Sr(II)(H2O)5.Br	Sr-Br	2.91	-0.34	-0.08	m
		Sr-O	2.64	-0.41	0.07
SrC25N5H25Br2	Sr(II)N5Br2 (TANWAG)	Sr-Br	2.96	-0.38	-0.02	jj
		Sr-N	2.75	0.10	0.01
		N-Sr-Br	88.35	1.74	1.67
SrH8Br2O4	cis-Sr(II)(H2O)4.Br2	Sr-Br	2.94	-0.30	-0.03	m
		Sr-O	2.61	-0.39	0.21
		Br-Sr-Br	118.78	18.59	4.95
YC3H9	Trimethyl yttrium(III)	Y-C	2.38	0.21	-0.28	m
		C-Y-C	114.48	5.61	5.16
YC10H10	Bicyclopentadienyl yttrium(II)	Y-C	2.58	0.44	-0.11	m
YC19NH22	Y(Cp)2CN (CIGZEX)	Y-N	2.54	0.04	0.36	jj
		Y-C	2.41	0.20	-0.23
		N-Y-C	71.76	-3.34	-2.28
YC27N3H54	Y(III)N3 (FAMVEV)	Y-N	2.21	0.16	0.12	jj
		N-Y-N	120.74	-1.23	-0.92
YN6H18	Y(II)(NH3)6	Y-N	2.58	0.01	0.04	m
YC8N8H32	Y(III)N8(3+) (ROGRUA)	Y-N	2.49	0.16	0.22	jj
		N-Y-N	68.16	0.73	-1.56
YC45N9H33	Y(III)N9(3+) (XAWXIC)	Y-N	2.53	0.16	0.12	jj
		N-Y-N	64.24	-2.48	-0.75
YO	Yttrium(II) oxide	Y-O	1.85	-0.17	-0.01	m
YC19H23O	Y(Cp)3O (BACZOU)	Y-O	2.45	-0.23	1.03	jj
		Y-C	2.72	0.88	-0.11
		C-Y-O	70.93	-1.66	-7.53
YC16H22O2	Y(III)(Cp)2O2(+) (PEZDAZ)	Y-O	2.45	-0.15	0.43	jj
		O-Y-O	152.19	20.46	11.30
		Y-C	2.65	0.21	-0.19
		C-Y-O	83.39	-0.02	-0.07
YH12O6	Yttrium(III) hexaquo	Y-O	2.36	-0.09	0.04	m
YH12O6	Y(II)(H2O)6	Y-O	2.44	-0.17	-0.06	m
YH16O8	Y(III)O8(3+) (BEJDOJ)	Y-O	2.43	-0.19	-0.04	jj
		Y-O	2.33	-0.03	0.08
		O-Y-O	70.66	45.17	21.88
YC15H25O8	Y(III)O8 (YACACT)	Y-O	2.35	-0.16	-0.06	jj
		Y-O	2.42	0.62	1.81
		O-Y-O	141.96	-12.98	-30.52
YH18O9	Y(III)O9(3+) (AYETHS01)	Y-O	2.52	-0.14	1.42	jj
		Y-O	2.37	-0.13	0.01
		O-Y-O	72.58	17.31	23.38
YN3H6O12	Y(III)O9 (BONTUT)	Y-O	2.39	0.04	0.21	jj
		Y-O	2.13	-0.02	0.02
		O-Y-O	66.04	-3.85	-3.79
YC12H15O15	Y(III)O9 (VARQOU)	Y-O	2.30	-0.22	-0.16	jj
		Y-O	2.51	0.74	1.02
		O-Y-O	64.58	-8.92	-17.82
YC18N6H15O18	Y(III)O9 (AFARII)	Y-O	2.39	-0.03	0.12	jj
		Y-O	2.32	-0.02	0.19
		O-Y-O	79.77	19.81	9.62
YC18H23O6F18	Y(III)O6 (HEDJOP)	Y-O	2.49	0.09	0.82	jj
		Y-O	2.06	0.01	-0.01
		O-Y-O	87.30	-15.30	2.11
YC15H7O8F18	Y(III)O8 (COQDUH)	Y-O	2.32	-0.08	0.09	jj
		O-Y-O	72.75	3.64	-1.08
YC19H13O8F18	Y(III)O8 (ERUYAR)	Y-O	2.35	-0.07	0.00	jj
		O-Y-O	72.30	4.58	-0.43
YC20H4O8F24	Y(III)O8(-) (CYSFAC10)	Y-O	2.32	-0.02	0.10	jj
		O-Y-O	73.84	4.64	-1.48
YS	Yttrium(II) sulfide	Y-S	2.30	-0.06	-0.31	m
YC23N3H24S3O6	YO6N3 (BUTKEG)	Y-N	2.37	-0.01	-0.04	jj
		N-Y-N	78.12	31.79	16.67
YC6N3H18S3O12	Y(III)O9 (CEXFAM)	Y-O	2.28	-0.01	-0.03	jj
		Y-O	2.53	0.64	1.18
		O-Y-O	148.68	3.35	1.33
YC6N6S6	Y(III)N6(3-) (KAKQES)	Y-N	2.32	0.16	0.12	jj
		N-C	1.15	0.02	0.02
		C-S	1.62	0.01	0.03
YCl	Yttrium(I) monochloride	Y-Cl	2.42	0.16	-0.05	m
YClO	Yttrium(III) oxide chloride	Y-O	1.85	-0.17	-0.01	m
		Y-Cl	2.52	0.07	-0.02
		O-Y-Cl	117.51	62.49	62.34
YC28H30ClO2	Y(Cp)2O2Cl (AGUVUT)	Y-Cl	2.59	-0.01	0.03	jj
		Y-O	2.42	-0.16	0.77
		O-Y-Cl	79.87	12.58	-2.34
		Y-C	2.66	0.16	-0.11
YC12H28ClO8	Y(III)O7Cl(2+) (FIZKOO)	Y-Cl	2.65	-0.04	-0.06	jj
		Y-O	2.45	-0.03	0.13
		O-Y-Cl	127.59	-39.90	-42.90
		Y-O	2.33	-0.05	0.06
YCl3	Yttrium(III) trichloride	Y-Cl	2.47	0.07	0.00	m
YC20N4H20Cl3	Y(III)N4Cl3 (YIQMUG)	Y-Cl	2.64	0.02	-0.01	jj
		Cl-Y-Cl	92.72	1.47	4.02
		Y-N	2.49	0.09	0.14
		N-Y-Cl	76.58	-3.93	-5.12
YC4N2H10Cl3O2	Y(III)Cl3O2N2 (TIMNIM)	Y-Cl	2.59	0.11	0.05	jj
		Cl-Y-Cl	90.10	26.81	29.34
		Y-O	2.29	0.02	0.25
		O-Y-Cl	77.49	-6.94	-9.41
		Y-N	2.50	0.02	0.02
YC6H14Cl3O4	Y(III)O4Cl3 (FUXPET)	Y-Cl	2.59	-0.01	-0.07	jj
		Cl-Y-Cl	97.79	9.59	12.98
		Y-O	2.33	0.05	0.38
		O-Y-Cl	80.75	4.66	11.38
YC8H20Cl3O4	Y(III)O4Cl3 (WAPYUH)	Y-Cl	2.60	0.02	-0.06	jj
		Cl-Y-Cl	91.20	8.64	21.98
		Y-O	2.42	0.14	0.79
		O-Y-Cl	79.25	0.11	-8.17
YCl6	Yttrium(III) hexachloride	Y-Cl	2.77	0.00	0.02	m
YBr	Yttrium(I) monobromide	Y-Br	2.56	0.02	-0.14	m
YC17N4H35Br2	Y(III)N4Br2 (EROZIU)	Y-Br	2.75	-0.11	0.06	jj
		Br-Y-Br	145.29	-9.71	-6.86
		Y-N	2.35	0.12	0.10
		N-Y-Br	111.22	-0.81	0.30
YBr3	Yttrium(III) tribromide	Y-Br	2.62	-0.11	-0.06	m
YBr6	Yttrium(III) hexabromide	Y-Br	2.92	-0.03	0.01	m
Y2	Yttrium, dimer	Y-Y	2.65	0.70	1.18	m
Y2Cl4	Yttrium dichloride, dimer	Y-Y	3.76	-0.31	0.22	m
		Y-Cl	2.46	0.09	-0.05
ZrH4	ZrH4	Zr-H	1.88	-0.23	-0.12	m
ZrC6H18	Zr(IV)(Me)6(2-) (JAMWOJ)	Zr-C	2.43	-0.06	-0.03	jj
ZrC14H16	Zr(IV)(Cp)2C4 (CPDZRA)	Zr-C(CH2)	2.47	-0.26	0.08	jj
		Zr-C(C2H	1.32	0.13	0.04
		Zr-C(Cp)	2.50	0.03	0.06
ZrC14H16	ZrC12 (JANDIL10)	Zr-C	2.38	-0.05	0.02	jj
		Zr-C	2.45	-0.01	0.14
		Zr-C	2.40	0.02	0.06
ZrN6H18	Zr(II)(NH3)6	Zr-N	2.51	0.03	-0.08	m
ZrH12O6	Zr(II)(H2O)6	Zr-O	2.33	-0.02	-0.08	m
ZrF	Zirconium(I) fluoride	Zr-F	1.95	-0.05	-0.05	m
ZrC10H10F2	Zr(IV)(Cp)2F2 (FDCPZR)	Zr-F	1.97	-0.06	0.00	jj
		F-Zr-F	96.24	10.12	7.21
		Zr-C	2.52	0.01	0.16
ZrOF2	Zirconium(IV) oxide difluoride	Zr-F	1.97	-0.03	-0.02	m
		Zr=O	1.78	-0.04	0.02
ZrF4	Zirconium tetrafluoride	Zr-F	1.94	-0.03	0.01	b
ZrF6	Zirconium hexafluoride, dianion	Zr-F	2.08	-0.09	-0.01	b
ZrC16P2H28	Zr(II)(Cp)2P2 (FICZEW)	Zr-P	2.65	1.56	0.01	jj
		P-Zr-P	93.94	-35.06	-5.88
		Zr-C	2.50	-0.05	0.08
ZrCl	Zirconium(I) chloride	Zr-Cl	2.34	-0.03	-0.08	m
ZrC10NH10ClO3	Zr(IV)(Cp)2O2Cl (CUBZOO)	Zr-Cl	2.62	-0.23	-0.20	jj
		Zr-O	2.15	-0.22	-0.17
		O-Zr-Cl	74.42	28.34	24.70
		Zr-C	2.45	0.07	0.21
ZrC13NH16SClO	Zr(IV)(Cp)2ClOS (BUWMAH)	Zr-Cl	2.55	-0.14	-0.05	jj
		Zr-S	2.64	1.78	-0.06
		S-Zr-Cl	76.15	12.71	7.42
		Zr-O	2.25	-0.29	0.12
		O-Zr-Cl	138.07	-30.54	7.69
ZrC10H10Cl2	Zr(IV)(Cp)2Cl2 (CPDCZR)	Zr-Cl	2.45	-0.06	-0.03	jj
		Cl-Zr-Cl	97.09	8.39	4.38
		Zr-C	2.52	0.00	0.12
ZrCl2O	Zirconium(IV) oxide dichloride	Zr-Cl	2.39	0.03	-0.03	m
		Zr=O	1.78	-0.04	0.02
ZrCH3Cl3	Methyl zirconium(IV) trichloride	Zr-C	2.20	-0.06	0.06	m
		Zr-Cl	2.37	0.00	-0.01
ZrCl4	Zirconium tetrachloride	Zr-Cl	2.35	0.01	-0.01	b
ZrC4N2H6Cl4	Zr(IV)N2Cl4 (FAZXEJ)	Zr-Cl	2.42	-0.01	0.05	jj
		Cl-Zr-Cl	165.41	-40.88	-17.24
		Zr-Cl'	2.36	0.05	0.03
		Zr-N	2.34	0.09	-0.03
ZrC10N2H8Cl4	Zr(IV)Cl4N2 (KECKUY)	Zr-Cl	2.40	0.02	0.06	jj
		Cl-Zr-Cl	168.02	-26.38	-13.32
		Zr-Cl'	2.39	0.00	0.01
		Zr-N	2.30	0.18	0.09
ZrC10N2H10Cl4	Zr(IV)Cl4N2 (FUFSOO)	Zr-Cl	2.46	-0.03	-0.01	jj
		Zr-N	2.37	0.06	-0.01
		N-Zr-Cl	91.09	-3.06	-0.71
ZrCl6	Zirconium hexachloride, dianion	Zr-Cl	2.54	-0.06	0.00	b
ZrBr	Zirconium(I) bromide	Zr-Br	2.49	0.07	-0.09	m
ZrBr2O	Zirconium(IV) oxide dibromide	Zr-Br	2.54	0.09	-0.03	m
		Zr=O	1.78	-0.05	0.01
ZrBr4	Zirconium tetrabromide	Zr-Br	2.50	0.03	-0.05	b
ZrC4N2H6Br4	Zr(IV)Br4N2 (FIMZUW10)	Zr-N	2.29	0.05	-0.04	jj
		Zr-N	2.37	-0.04	-0.13
		N-Zr-N	76.31	62.21	27.94
		Zr-Br	2.52	0.07	-0.01
		Zr-Br'	2.55	0.05	0.06
ZrBr6	Zirconium hexabromide, dianion	Zr-Br	2.70	-0.04	0.02	b
Zr2C4N2H6Cl8	Zr(IV)2F8N2 (FELKAI)	Zr-Zr	4.03	-0.17	-0.48	jj
		Zr-Cl	2.60	-0.05	-0.01
		Cl-Zr=-Zr	39.25	1.61	7.45
		Zr-Cl(t)	2.34	0.04	0.06
		Zr-Cl(t')	2.33	0.09	0.12
		Zr-N	2.31	0.10	-0.02
NbC10H10	Dicyclopentadienyl Niobium(II)	Nb-C	2.43	0.09	0.05	m
NbN6H18	Nb(II)(NH3)6	Nb-N	2.42	-0.06	-0.09	m
NbC6N6	Niobium hexanitrile, anion	Nb-C	2.20	-0.12	0.00	m
NbO	Niobium(I) oxide	Nb-O	1.72	-0.01	-0.03	m
NbCH5O3	methyl niobium(V) oxide dihydrox	Nb-C	2.17	-0.08	0.02	m
		Nb=O	1.75	0.01	-0.02
		C-Nb-O	104.14	-9.29	-2.06
		Nb-O(OH)	1.94	-0.04	-0.05
NbC6H15O4	Niobium(V) tri-ethoxide oxide	Nb=O	1.75	0.00	-0.02	m
		Nb-O	1.94	-0.04	-0.01
		O=Nb-O	108.90	-3.22	1.56
NbC9H5O4	Nb(Cp)(CO)4 (CPNBCO01)	Nb-C	2.08	-0.06	0.04	jj
		Nb-C	2.10	-0.05	0.02
		Nb-C	2.39	-0.09	0.02
NbH12O6	Nb(II)(H2O)6	Nb-O	2.32	-0.07	-0.08	m
NbC6O6	Niobium hexacarbonyl, anion	Nb-C	2.14	0.25	-0.08	m
NbC4H4O11	Nb(V)O7(-) (CSOXNB)	Nb-O	1.69	0.05	0.03	jj
		Nb-O	2.10	-0.08	0.00
		O-Nb-O	97.53	-1.32	5.22
		Nb-O	2.33	1.36	0.41
NbC2H6F	Dimethyl niobium fluoride	Nb-C	2.13	-0.07	0.04	m
		Nb-F	1.91	-0.06	-0.01
		C-Nb-F	118.36	0.03	2.60
NbOF	Niobium(III) oxide fluoride	Nb-O	1.74	-0.02	-0.04	m
		Nb-F	1.98	-0.20	-0.10
		F-Nb-O	138.60	-42.73	-35.60
NbOF3	Niobium(V) oxide trifluoride	Nb-O	1.73	0.00	-0.02	m
		Nb-F	1.90	-0.07	0.01
		O-Nb-F	107.52	-12.68	-4.74
NbF6	Nb(V)F6(-) (JIYBUO)	Nb-F	1.84	0.01	0.10	jj
NbF6	Niobium(V) hexafluoride, anion	Nb-F	1.96	-0.04	0.09	m
NbS	Niobium(II) sulfide	Nb-S	2.16	-0.07	-0.05	m
NbC11H11SO	Nb(Cp)2CS (CPNBCS)	Nb-S	2.53	-0.04	-0.15	jj
		Nb-C	2.42	0.05	0.06
NbC13H16S2	Nb(IV)(Cp)2S2 (HUNSEO)	Nb-S	2.48	-0.07	-0.12	jj
		S-Nb-S	87.89	6.52	8.85
		Nb-C	2.44	-0.02	0.06
NbS4	Nb(V)S4(3-) (JUMNAG)	Nb-S	2.27	0.06	0.04	jj
NbC2H6Cl	Dimethyl niobium chloride	Nb-C	2.13	-0.06	0.05	m
		Nb-Cl	2.32	0.05	-0.02
		C-Nb-Cl	119.28	-3.22	1.74
NbClO	Niobium(III) oxide chloride	Nb-O	1.73	-0.01	-0.03	m
		Nb-Cl	2.39	-0.14	-0.12
		O-Nb-Cl	129.97	-34.25	-27.24
NbC10H10S2Cl	Nb(Cp)2S2Cl (BAPKUY)	Nb-Cl	2.46	-0.01	-0.01	jj
		Nb-S	2.47	0.03	-0.07
		S-Nb-Cl	78.80	-1.16	0.70
NbC6NH8Cl2	Nb(Cp)Cl2N (JIYMAF10)	Nb-Cl	2.35	0.01	-0.02	jj
		Cl-Nb-Cl	104.64	23.99	4.92
		Nb-C	2.38	-0.22	0.06
			1.75	0.04	0.00
NbCl3	Niobium trichloride	Nb-Cl	2.31	-0.04	-0.04	hhhhh
NbCl3O	Niobium(V) oxide trichloride	Nb-O	1.73	0.00	-0.02	m
		Nb-Cl	2.31	0.01	-0.01
		O-Nb-Cl	107.38	-9.44	-4.06
NbC4N2H6Cl3O	Nb(V)Cl3N2O (ACYNNB10)	Nb-Cl	2.31	0.04	0.01	jj
		Nb-Cl	2.35	0.03	0.03
		Cl-Nb-Cl	94.11	8.59	7.62
		Nb-O	1.68	0.06	0.03
		Nb-N	2.25	-0.09	0.08
		Nb-N	2.44	-0.17	0.13
NbC4N2H6Cl4	Nb(IV)Cl4N2 (CYANBA)	Nb-Cl	2.34	0.03	0.02	jj
		Nb-Cl	2.33	0.06	0.04
		Cl-Nb-Cl	161.00	-16.21	-19.80
		Nb-N	2.22	-0.14	0.08
NbC12H17Cl4O2	Nb(V)Cl4O2 (WIGKIG)	Nb-Cl	2.35	-0.02	0.03	jj
		Nb-O	1.82	0.02	-0.04
		O-Nb-Cl	95.08	-5.39	-0.50
		Nb-O	2.21	0.03	0.08
NbC12P2H30Cl4	Nb(IV)Cl4P2 (CUHVIK)	Nb-P	2.66	-0.03	0.00	jj
		Nb-Cl	2.36	0.12	0.03
		Cl-Nb-P	88.83	-15.40	1.30
NbCl5	Niobium pentachloride	Nb-Cl	2.29	0.03	0.05	ppp
NbCNHCl5	Nb(V)Cl5N (CFNTNB)	Nb-N	2.30	-0.12	0.07	jj
		Nb-Cl	2.31	0.02	0.04
		Cl-Nb-N	83.53	-5.10	-6.40
		Nb-Cl	2.24	0.03	0.03
NbCl6	Nb(V)Cl6(-) (SIWLAL)	Nb-Cl	2.34	0.00	0.04	jj
NbC2NCl8	Nb(V)Cl5N (NUYDAM)	Nb-Cl	2.24	0.03	0.02	jj
		Cl-Nb-Cl	97.22	4.70	6.55
		Nb-N	2.34	-0.15	0.08
NbC2H6Br	Dimethyl niobium bromide	Nb-C	2.13	-0.06	0.05	m
		Nb-Br	2.46	0.06	0.00
		C-Nb-Br	118.98	-7.37	0.97
NbBr3O	Niobium(V) oxide tribromide	Nb-O	1.73	0.01	-0.02	m
		O-Nb-Br	107.51	-9.63	-2.58
NbC8H16S3Br3	NbS3Br3 (CANBEY)	Nb-Br	2.44	0.06	0.11	jj
		Nb-S	2.10	0.06	0.05
		S-Nb-Br	97.02	2.63	4.17
		Nb-Br	2.51	-0.01	0.11
		Nb-S	2.69	0.93	-0.16
		Nb-S	2.84	0.32	-0.13
NbBr4	niobium(V) tetrabromide, cation	Nb-Br	2.39	0.03	-0.01	m
NbBr5	Niobium pentabromide	Nb-Br	2.46	0.05	0.05	ppp
NbBr6	Nb(V)Br6	Nb-Br	2.58	-0.05	-0.02	m
MoC10H12	Bicyclopentadienyl molybdenum di	Mo-H	1.69	0.05	0.00	rrr
MoN6H18	Mo(II)(NH3)6	Mo-N	2.38	-0.10	0.02	m
MoC6H18O	Mo(VI)C5O (ACESEG)	Mo-O	1.85	0.05	0.02	jj
		Mo-C	2.17	0.02	0.05
MoC2H6O2	Dimethyl molybdenium(VI) dioxide	Mo-C	2.12	0.01	0.06	m
		Mo=O	1.73	-0.03	-0.05
		O=Mo-C	108.26	-2.65	-2.44
MoC6H18O2	Mo(VI)C4O2 (ACESIK)	Mo-C	2.13	0.03	0.08	jj
		Mo-O	1.86	0.04	0.00
		O-Mo-C	91.85	0.96	-1.23
MoC7NH5O3	Cyclopentadienyl molybdenum nitr	Mo-C(Cp)	2.43	0.08	0.12	m
		Mo-C(C=O)	2.01	-0.01	0.03
		Mo-N	1.85	-0.01	-0.08
MoC23N2H20O3	Mo(II)C5ON2 (ACPSMO)	Mo-C(=O)	1.91	0.07	0.10	jj
		C=O	1.19	-0.02	-0.01
		Mo-O	2.14	0.09	0.16
		Mo-C(C3)<	2.32	-0.02	0.04
		Mo-N	-73.38	0.02	-0.84
MoO4	Mo(VI)O4(2-) (CHAMMO)	Mo-O	1.77	0.00	0.02	jj
MoC4H8O5	Mo(VI)O5 (BOWRUA)	Mo-O'	1.73	-0.02	-0.04	jj
		Mo-O'	1.62	0.09	0.08
		O'-Mo-O'	100.78	0.59	8.15
		Mo-O	1.81	0.10	0.14
		Mo-O"	2.23	0.22	0.29
MoH12O6	Mo(II)(H2O)6	Mo-O	2.23	0.17	1.35	m
MoC6O6	Molybdenum hexacarbonyl	Mo-C	2.06	0.01	0.02	gggg
MoC15H21O6	Mo(III)O6 (ACACMO)	Mo-O	2.07	0.03	0.11	jj
		O-Mo-O	88.14	-9.11	-5.56
MoC6O12	Mo(III)(Ox)3	Mo-O	2.16	-0.01	0.06	m
MoF	Molybdenum(I) fluoride	Mo-F	1.93	0.00	-0.02	m
MoC7NH3O7F	Mo(VI)O5FN(-) (AFXPCM)	Mo-F	2.06	-0.15	-0.13	jj
		Mo-O	1.66	0.03	0.02
		F-Mo-O	169.11	-0.93	-4.97
		Mo-O'	1.93	0.02	0.10
		Mo-O"	2.04	0.05	0.16
MoO2F2	Molybdenum dioxide difluoride	Mo-O	1.75	-0.05	-0.07	gggg
		Mo-F	1.82	0.05	0.06
		O-Mo-O	109.50	-11.43	-0.56
		F-Mo-F	113.00	51.24	29.35
MoOF4	Molybdenum oxide tetrafluoride	Mo-O	1.65	0.03	0.01	gggg
		Mo-F	1.84	-0.01	0.00
		O-Mo-F	103.80	-5.57	1.03
MoF6	Mo(VI)F6 d0	Mo-F	1.89	-0.08	-0.07	m
MoF6	Molybdenum(VI) hexafluoride	Mo-F	1.82	-0.02	-0.01	gggg
MoC8N2H20S2O2	Mo(VI)S2O2N2 (FINJOB)	Mo-S	2.42	0.02	-0.01	jj
		S-Mo-S	155.82	-9.15	-15.52
		Mo-O	1.71	-0.01	-0.02
		Mo-N	2.33	0.06	0.12
MoS4	Mo(VI)S4(2-) (AMEHEF)	Mo-S	2.17	0.07	0.06	jj
MoCl	Molybdenum(I) chloride	Mo-Cl	2.31	0.01	0.09	m
MoCl2O2	Molybdenum dioxide dichloride	Mo-O	1.70	0.01	-0.02	gggg
		Mo-Cl	2.26	0.06	0.07
		O-Mo-O	104.00	-4.61	7.48
		Cl-Mo-Cl	112.00	44.58	26.01
MoC10N2H8Cl2O2	Mo(VI)O2Cl2N2 (AGANIF)	Mo-Cl	2.37	-0.02	0.02	jj
		Cl-Mo-Cl	158.50	-11.16	-13.82
		Mo-O	1.70	0.00	-0.01
		Mo-N	2.30	0.05	0.12
MoC8N4H6Cl2O2	Mo(VI)O2Cl2N2 (AGANEB)	Mo-Cl	2.37	-0.02	0.02	jj
		Cl-Mo-Cl	159.64	-13.65	-15.96
		Mo-O	1.69	0.01	-0.01
		Mo-N	2.35	0.00	0.07
MoC3N6H12Cl3O3	Mo(III)Cl3O3 (BOHYEC)	Mo-Cl	2.43	-0.14	-0.09	jj
		Mo-O	2.13	0.02	0.08
		Cl-Mo-Cl	91.21	7.76	11.36
MoCl4O	Molybdenum oxide tetrachloride	Mo-O	1.66	0.03	0.00	gggg
		Mo-Cl	2.28	0.00	0.02
		O-Mo-Cl	105.00	-3.03	-0.82
MoCl4O	Mo(V)Cl4O(-) (IWELOL)	Mo-Cl	2.34	0.03	-0.02	jj
		Cl-Mo-Cl	86.33	-1.27	-0.36
		Mo-O	1.63	0.06	0.02
MoCl5	Molybdenum pentachloride	Mo-Cl(ax)	2.27	-0.04	-0.04	gggg
		Mo-Cl(eq)	2.27	-0.04	-0.06
MoCl6	Molybdenum(VI) hexachloride	Mo-Cl	2.26	0.00	0.01	eeee
MoCrC8H12O8	CrMo(ac)4	Cr-Mo	1.99	0.01	0.00	m
		Mo-O	2.14	-0.07	0.06
		Cr-O	1.99	0.15	0.05
MoBr	Molybdenum(I) bromide	Mo-Br	2.44	-0.02	0.02	m
MoBr2O2	Molybdenum dioxide dibromide	Mo-O	1.70	0.01	0.00	eeee
		Mo-Br	2.42	0.01	-0.06
		Br-Mo-Br	110.00	40.64	-0.08
MoC10N2H8Br2O2	Mo(VI)O2Br2N2 (BPYRMO)	Mo-Br	2.78	-0.31	-0.37	jj
		Br-Mo-Br	159.76	-14.91	-36.22
		Mo-O	1.82	-0.12	-0.13
		Mo-N	2.45	-0.10	-0.08
MoC4H12S2Br4	Mo(III)Br4S2(-) (CUVTUI)	Mo-Br	2.58	0.00	0.11	jj
		Mo-S	2.54	-0.04	-0.06
		S-Mo-Br	89.28	0.76	0.24
MoBr6	Mo(VI)Br6 d0	Mo-Br	2.51	-0.11	-0.16	m
Mo2C17H14O4	Mo2C17 (ALLCPM10)	Mo-Mo	3.12	0.23	-0.18	jj
		Mo-C(=O)	2.03	-0.04	0.00
		C-Mo-Mo	119.47	-0.14	2.67
		Mo-C(C3)	2.24	0.07	0.14
		Mo-C(Cp)	2.32	0.28	0.26
Mo2C8H12O8	Molybdenum diacetate, dimer	Mo-Mo	2.15	-0.10	-0.01	m
Mo2C10O10	Mo2(CO)10 dianion	Mo-Mo	3.36	-1.17	-0.17	m
		Mo-C(eq)	2.06	0.02	-0.01
		Mo-Mo-C	87.49	14.34	-2.05
		Mo-C(ax)	1.97	-0.03	0.00
		C(eq)=O	1.18	-0.01	0.00
		Mo-C(eq)=O)	123.56	30.38	-6.27
		C(ax)=O	1.20	0.00	0.01
Mo2Cl6O2	Mo2Cl6O2(2-) (BELWAQ)	Mo-Cl	2.44	-0.02	0.06	jj
		Cl-Mo-Cl	87.96	-8.81	-6.19
		Mo-O	2.19	-0.49	-0.53
		O-Mo-Cl	85.43	13.83	7.64
		Mo-Mo	2.12	0.03	0.17
Mo2Cl9	Mo(III)2Cl9(3-) (FAFSOU01)	Mo-Mo	2.74	0.95	0.15	jj
		Mo-Cl(t)	2.40	0.04	0.22
		Cl-Mo-Mo	126.84	0.90	0.47
		Mo-Cl(br)	2.46	0.12	-0.01
		Cl-Mo-Mo	56.05	-11.72	-2.22
Mo2Br6O2	Mo2Br6O2(2-) (BELWEU)	Mo-Br	2.58	-0.03	0.07	jj
		Mo-O	2.23	-0.53	-0.56
		Mo-Mo	2.11	0.24	0.18
Mo2Br9	Mo2Br9, trianion	Mo-Mo	2.82	-0.48	-0.53	ppp
TcC11H11	Tc(Cp)(C6H6)	Tc-C(C6)	2.24	0.15	0.09	m
		Tc-C(C5)	2.29	0.03	0.00
TcC15H19	Tc(Cp)2C (VIXRAV)	Tc-C	2.19	0.22	0.12	jj
		C-C	2.00	0.99	0.82
		C-C-Tc	66.31	-22.73	-15.55
		Tc-C	2.24	0.20	0.13
TcN6H18	Tc(II)(NH3)6	Tc-N	2.28	0.13	-0.04	m
TcC18N6H18	Tc(VII)N6(+) (WACSAU)	Tc-N	1.98	0.03	-0.03	jj
		N-Tc-N	77.19	4.85	6.43
TcC12N4H12O	Tc(V)N4O(-) (WACRUN)	Tc-O	1.67	0.02	0.02	jj
		Tc-N	1.99	-0.06	0.05
		O-Tc-N	109.26	12.76	3.80
TcC4N4H16O2	Tc(III)N4O2(-) (BEWRIE)	Tc-N	2.15	1.94	0.12	jj
		N-Tc-N	80.36	55.94	-7.00
		Tc=O	1.75	-0.04	-0.03
TcC6N4H20O2	Tc(V)N4O2(+) (NIPRIN)	Tc-N	2.16	0.07	0.07	jj
		N-Tc-N	90.00	-1.33	-7.54
		Tc-O	1.75	-0.08	-0.04
TcCH3O3	Methyl technetium(VII) trioxide	Tc=O	1.73	-0.09	-0.04	m
		Tc-C	2.10	-0.06	0.02
TcC8H5O3	Tc(Cp)(CO)3	Tc-C(Cp)	2.36	-0.09	0.00	m
TcC13H15O3	Tc(Cp)(CO)3 (KITDAS)	Tc-C	1.90	0.07	0.10	jj
		C-Tc-C	91.16	4.39	-6.17
		Tc-C(Cp)	2.30	-0.04	0.05
TcO4	Tc(VII)O4(-) (AMOGIS)	Tc-O	1.70	-0.03	0.03	jj
TcO4	Pertechnetate anion	Tc-O	1.76	-0.09	-0.03	m
TcC5O5	Technetium pentacarbonyl, anion	Tc-C(eq)	1.99	-0.25	-0.20	m
		Tc-C(ax)	1.96	-0.23	-0.15
TcH12O6	Tc(II)(H2O)6	Tc-O	2.21	0.11	-0.08	m
TcC6O6	Technetium hexacarbonyl, cation	Tc-C	2.05	-0.04	0.01	m
TcC15H21O6	Tc(III)O6 (KABMIJ)	Tc-O	2.01	0.03	-0.10	jj
		O-Tc-O	89.98	-2.05	-6.90
TcC14N2H30O6	Tc(IV)O6 (VOFHAZ)	Tc-O	2.01	-0.10	-0.10	jj
TcF	Technetium(I) fluoride	Tc-F	1.95	0.01	-0.03	m
TcOF	Technetium(III) oxide fluoride	Tc-O	1.67	0.01	-0.04	m
		Tc-F	1.92	-0.03	0.01
TcC5O5F	Tc(CO)5F	Tc-C	2.04	-0.03	0.00	m
		Tc-F	2.03	-0.03	0.00
TcF3	Technetium(III) trifluoride	Tc-F	1.91	-0.03	-0.01	m
TcC5N5SO	Tc(V)C4NO(2-) (PAFHAF)	Tc-O	1.61	0.06	0.05	jj
		Tc-C	2.12	-0.03	-0.03
		C-Tc-O	98.87	-4.39	5.34
		Tc-N	2.16	-0.16	-0.02
TcC12N2H26S2O2	Tc(V)N2S2O2(+) (SOXMIB)	Tc-S	2.33	-0.05	0.02	jj
		S-Tc-S	85.97	12.68	13.73
		Tc-N	1.96	0.05	-0.07
		Tc-O	1.72	-0.08	-0.06
		Tc-O	4.12	-0.26	0.01
TcC4H8S2O3	Tc(V)S2O3(-) (ASMETE)	Tc-S	2.28	0.07	0.03	jj
		S-Tc-S	86.10	8.17	7.27
		Tc-O	1.96	-0.01	0.01
		Tc-O	1.66	0.00	0.02
TcC18N3H15S3	Tc(VI)S3N3 (BUMCER)	Tc-S	2.34	-0.01	-0.06	jj
		Tc-N	2.00	-0.04	0.04
		N-Tc-S	79.61	8.08	1.88
TcC4H8S4O	Tc(V)S4O(-) (PATXTC)	Tc-O	1.64	0.03	0.03	jj
		Tc-S	2.30	0.03	0.03
		O-Tc-S	110.14	7.03	0.05
TcC4H8S4O3	Tc(V)S4O(-) (BATMTC)	Tc-S	2.34	0.03	-0.01	jj
		S-Tc-S	85.15	3.27	-2.32
		Tc-O	1.67	-0.02	0.00
TcCl	Technetium(I) chloride	Tc-Cl	2.39	-0.04	-0.30	m
TcC10H10Cl	Tc(Cp)2Cl (VICLIC)	Tc-Cl	2.45	-0.14	-0.01	jj
		Tc-C	2.25	0.06	0.04
		C-Tc-Cl	77.58	4.92	-0.52
TcC17N2H16ClO3	Tc(V)N2O3Cl (DAGSOT)	Tc-O	1.98	0.00	-0.09	jj
		O-Tc-O	81.53	0.53	6.09
		Tc-N	2.12	-0.11	-0.20
		Tc-Cl	2.44	-0.04	0.00
		Tc-O	1.66	0.00	0.03
TcC5ClO5	Tc(CO)5Cl	Tc-C	2.03	-0.02	0.00	m
		Tc-Cl	2.03	-0.02	0.00
TcC4H8S3ClO	Tc(V)S3OCl (AMOMOE)	Tc-Cl	2.36	-0.04	0.05	jj
		Tc-S	2.28	0.01	0.04
		S-Tc-Cl	84.14	-1.20	3.91
		Tc-O	1.65	-0.01	0.00
TcC8N4H12Cl2	Tc(III)N4Cl2(+) (YOMRUN)	Tc-Cl	2.33	0.02	0.04	jj
		Tc-M	2.07	-0.10	-0.10
		N-Tc-Cl	89.73	0.10	0.02
TcC20N4H20Cl2	Tc(II)N4Cl2 (ZOPWAC)	Tc-Cl	2.41	-0.03	0.06	jj
		Tc-N	2.10	-0.05	-0.03
		N-Tc-Cl	90.55	-0.52	-0.39
TcC12P4H32Cl2	Tc(III)P4Cl2(+) (BAJDOF10)	Tc-P	2.43	2.24	-	jj
		P-Tc-P	2.33	-0.08	-
		Tc-Cl	91.39	43.29	-
TcCl3	Technetium(III) trichloride	Tc-Cl	2.28	0.01	-0.06	m
TcC18N3H21Cl3	Tc(III)N3Cl3 (JEVMAY)	Tc-Cl	2.39	-0.01	0.05	jj
		Cl-Tc-Cl	91.55	5.60	-1.66
		Tc-N	2.15	-0.11	-0.11
TcCl4O	Tc(V)Cl4O(-) (VAVVAP01)	Tc-O	1.62	0.02	0.03	jj
		Tc-Cl	2.31	0.02	0.12
		O-Tc-Cl	107.02	-13.24	1.65
TcC6P2H18Cl4	Tc(IV)Cl4P2 (LALGUA)	Tc-Cl	2.32	0.01	-	jj
		Cl-Tc-Cl	89.82	-1.27	-
		Tc-P	2.52	-0.48	-
TcC8H16S2Cl4	Tc(IV)S2Cl4 (WAJFOD)	Tc-Cl	2.32	0.01	0.11	jj
		Cl-Tc-Cl	89.74	0.91	-0.16
		Tc-S	2.49	-0.09	-0.11
TcCl6	Tc(IV)Cl6(2-) (CIMFEJ)	Tc-Cl	2.34	0.04	0.10	jj
TcBr	Technetium(I) bromide	Tc-Br	2.50	0.00	-0.29	m
TcBrO	Technetium(III) oxide bromide	Tc-O	1.67	0.01	-0.02	m
		Tc-Br	2.44	0.01	-0.05
TcC5BrO5	Tc(CO)5Br	Tc-C(CO)	2.03	-0.03	0.00	m
		Tc-Br	2.66	-0.13	-0.02
TcBr3	Technetium(III) tribromide	Tc-Br	2.40	0.07	-0.08	m
TcNBr4	Tc(VI)NBr4(-) (DANNIP)	Tc-N	1.60	0.16	0.03	jj
		Tc-Br	2.48	0.02	0.07
		N-Tc-Br	103.04	-0.53	-8.06
RuC10H10	Ru(Cp)2 (CYCPRU07)	Ru-C	2.18	0.04	0.07	jj
RuC10H10	Ruthenocene	Ru-C	2.24	-0.02	0.01	m
RuC10H12	RuC10 (JODLIX)	Ru-C	2.03	0.01	0.06	jj
		Ru-C	2.20	0.08	0.26
RuC13H14	RuC10 (CEJLOS)	Ru-C	2.15	0.05	0.06	jj
		Ru-C	3.15	0.06	0.02
		Ru-C	2.20	0.02	0.08
RuC10NH11	RuC10 (BEPJIP)	Ru-C	2.19	0.04	0.02	jj
		Ru-C	2.20	0.08	0.32
		Ru-C	2.02	-0.01	-0.06
RuN6H18	Ru(II)(NH3)6	Ru-N	2.23	0.33	0.20	m
RuC5N6H20	Ru(III)N6(3+) (NEFYAY)	Ru-N	2.08	0.12	-0.03	jj
RuC12N6H18	Ru(II)N6(2+) (VIYMIZ)	Ru-N	2.02	0.18	0.04	jj
RuN5H17O	[Ru(NH3)5H2O]++	Ru-N	2.23	0.16	0.02	m
		Ru-O	2.28	0.10	-0.02
RuCH5O2	Methyl ruthenium(III) dihydroxid	Ru-O	1.91	0.06	-0.02	m
		Ru-C	2.06	-0.02	0.00
RuC6H12O3	Ru(II)(C6H6)(H2O)3(2+) (GAWTED)	Ru-O	2.13	0.15	0.10	jj
		O-Ru-O	82.32	-18.99	-17.32
		Ru-C	2.15	0.09	0.06
RuC5N3H18O3	Ru(III)O3N3(2+) (GOKBIR)	Ru-O	2.00	0.36	-0.09	jj
		O-Ru-O	93.91	-5.61	-11.44
		Ru-N	2.10	0.16	0.11
RuC6N3O3	Ru(CN)3(CO)3(-) (XIHWEQ)	Ru-C	1.97	-0.11	-0.01	jj
		Ru-C	2.08	-0.11	-0.09
		C-Ru-C	89.33	-0.95	-1.73
RuC6H4O4	Ethylene ruthenium tetracarbonyl	Ru-C(C2H4)	2.29	-0.21	0.01	m
		Ru-C(CO)	1.98	-0.41	0.03
RuC5O5	Ruthenium pentacarbonyl	Ru-C(ax)	1.98	-0.01	0.00	m
		Ru-C(eq)	1.99	-0.41	-0.01
RuH12O6	Ru(II)(H2O)6(2+) (BONPEZ)	Ru-O	2.14	0.17	0.03	jj
RuH12O6	Ru(II)(H2O)6	Ru-O	2.18	0.19	0.07	m
RuC3H6O6	Ru(CO)3(H2O)3(2+) (GOZYOJ01)	Ru-O	2.11	0.23	0.14	jj
		Ru-C	1.92	0.20	-0.03
		O-Ru-C	94.28	13.60	7.71
RuC10H18O6	Ru(Acac)2.2H2O	Ru-O	2.11	0.04	-0.04	m
		Ru-O(H2O)	2.21	0.14	0.07
RuC15H21O6	Ru(III)O6 (ACACRU)	Ru-O	2.01	0.17	-0.03	jj
		O-Ru-O	92.63	-21.75	-9.87
RuCN4H2O10	Ru(NO2)4(CO)(H2O)(2+) (ILEVOK)	Ru-C	1.76	0.41	0.18	jj
		Ru-N	92.06	10.98	2.34
RuC6O12	Ru(III)(Ox)3(3-) (DUKNOM)	Ru-O	2.03	0.28	0.09	jj
		O-Ru-O	80.33	-15.84	-1.37
RuF	Ruthenium(I) fluoride	Ru-F	1.95	0.00	-0.03	m
RuOF2	Ruthenium(IV) oxide difluoride	Ru-O	1.65	0.00	0.02	m
		Ru-F	1.89	0.04	0.02
		O-Ru-F	130.12	5.61	-3.64
RuF3	Ruthenium(III) trifluoride	Ru-F	1.90	0.02	-0.01	m
		Ru-F'	1.89	0.03	0.00
		F-Ru-F	104.04	-39.99	-0.47
RuC20PH27O2	Ru(Cp)(CO)CP (CIMXAX)	Ru-P	2.28	-0.07	-0.16	jj
		Ru-C	1.86	0.05	0.01
		C-Ru-P	88.31	-1.06	-0.33
		Ru-C	2.04	0.00	-0.03
		Ru-C(Cp)	2.26	0.01	0.12
RuC10PH15O4	Ru(CO)4(PEt3)	Ru-P	2.45	-0.23	9.64	m
		Ru-C	1.96	-0.41	0.01
		C-Ru-P	95.65	-5.32	-5.79
RuC15P5H42	Ru(0)P5 (DOWFIE)	Ru-P	2.30	0.14	9.10	jj
		Ru-P	2.27	0.13	0.03
		P-Ru-P	103.71	-8.36	-27.68
RuCl	Ruthenium(I) chloride	Ru-Cl	2.29	-0.55	-0.10	m
RuN5H15Cl	[Ru(NH3)5Cl]++	Ru-N	2.21	0.08	0.04	m
		Ru-Cl	2.25	0.05	0.05
RuN4H12SClO2	RuN4SCl(+) (LUNXOH)	Ru-N	2.13	0.23	0.10	jj
		Ru-Cl	2.39	-0.03	-0.03
		N-Ru-Cl	88.32	3.15	-1.85
		Ru-S	2.08	-0.16	0.04
		S-Ru-N	95.11	-5.12	-1.42
RuC15N3H30S6Cl	Ru(IV)S6Cl (ETCCRU)	Ru-S	2.40	1.74	-0.12	jj
		S-Ru-S	72.89	-32.15	-0.29
		Ru-Cl	2.45	0.03	0.04
RuCl2O	Ruthenium(IV) oxide dichloride	Ru-O	1.66	-0.03	0.00	m
		Ru-Cl	2.25	0.07	-0.03
		O-Ru-Cl	126.15	-20.50	-26.65
RuC3H2Cl2O4	Ru(CO)3Cl2(H2O) (OLUWUN)	Ru-Cl	2.41	-0.08	-0.04	jj
		Cl-Ru-Cl	90.85	47.10	7.41
		Ru-O	2.15	0.30	0.09
		Ru-C	1.89	0.16	-0.03
RuC7H8Cl2O4	Ru(CO)3Cl2O (ZUHBEJ)	Ru-Cl	2.40	0.01	0.00	jj
		Cl-Ru-Cl	90.70	46.08	10.74
		Ru-O	2.15	0.41	0.05
		Ru-C	1.92	0.17	-0.03
RuCl3	Ruthenium(III) trichloride	Ru-Cl	2.24	-0.22	-0.15	m
		Cl-Ru-Cl	111.23	-13.06	-1.38
RuC2N3H8Cl3O	Ru(III)N3Cl3 (PIDMUK)	Ru-Cl	2.36	0.00	0.04	jj
		Cl-Ru-Cl	88.58	-2.29	6.57
		Ru-N	2.10	0.22	0.08
		Ru-N	1.73	0.18	0.01
RuC3Cl3O3	Ru(CO)3CL3 (DEYJOG)	Ru-Cl	2.42	-0.13	-0.10	jj
		Cl-Ru-Cl	91.62	9.14	17.22
		Ru-C	1.90	0.23	-0.02
RuC3Cl3O3	Ru(CO)3Cl3(-) (JEDUUI)	Ru-Cl	2.42	0.14	0.02	jj
		Cl-Ru-Cl	88.59	30.10	16.08
		Ru-C	1.91	0.17	-0.01
RuC4N2H6Cl4	RuCl4N2 (MAWFAR)	Ru-Cl	2.34	-0.08	-0.09	jj
		Ru-N	2.02	0.16	-0.04
		N-Ru-Cl	93.40	7.21	-3.08
RuC10N2H8Cl4	Ru(III)Cl4N2(-) (JAYSOR)	Ru-Cl	2.38	-0.31	-0.10	jj
		Cl-Ru-Cl	91.69	7.96	0.80
		Ru-N	2.02	0.23	0.04
RuC6N4H14Cl4	Ru(III)N2Cl4(-) (FUMWIT)	Ru-N	2.08	-0.17	-0.19	jj
		Ru-Cl	2.36	-0.05	0.09
		Cl-Ru-N	90.18	0.74	0.39
RuCl6	Ru(IV)Cl6(2-) (YARREP)	Ru-Cl	2.33	-0.52	-0.02	jj
RuCl6	Ru(III)Cl6(3-) (YOJBUU01)	Ru-Cl	2.37	0.14	0.12	jj
RuBr	Ruthenium(I) bromide	Ru-Br	2.41	0.10	-0.26	m
RuC7H5BrO2	Ru(Cp)(CO)2Br (BUPNOP)	Ru-Br	2.54	0.15	-0.03	jj
		Ru-C	1.90	0.11	-0.01
		C-Ru-Br	90.74	-16.50	-7.16
		Ru-C(Cp)	2.16	0.10	0.14
RuBr2O	Ruthenium(IV) oxide dibromide	Ru-O	1.67	-0.03	0.00	m
		Ru-Br	2.38	0.23	0.02
		O-Ru-Br	125.33	-19.89	-25.26
RuC12N2H8Br2O2	RuN2(CO)2Br2 (TAWVOC)	Ru-C	1.88	0.15	-0.04	jj
		C-Ru-C	89.47	-3.05	-1.01
		Ru-Br	2.52	0.17	-0.10
		Ru-N	2.12	0.13	-0.01
RuC2N3H8Br3O	Ru(III)N3Br3 (PIDNAR)	Ru-Br	2.50	0.16	-0.11	jj
		Br-Ru-Br	88.51	-7.17	9.39
		Ru-N	2.12	0.12	0.02
		Ru-N	1.74	0.14	-0.02
Ru2	Ruthenium, dimer	Ru-Ru	2.12	0.21	-0.14	m
Ru2C14H8O6	Ru2(C8H8)(CO)6	Ru-C	2.23	1.14	0.90	m
Ru2C8O8	Ru2(CO)8 dianion	Ru-Ru	2.94	-0.13	30.16	m
RhC6N6	Rhodium(III) hexacyanide	Rh-C	2.08	-0.13	-0.21	m
RhC6N6H24	Rh(III)N6(3+) (CRHENC)	Rh-N	2.05	0.04	-0.11	jj
		N-Rh-N	83.48	3.80	4.74
RhC12N6H18	Rh(III)N6(3+) (VENYAO)	Rh-N	1.99	0.01	-0.21	jj
		N-Rh-N	88.53	1.34	1.42
RhC12N6H30	Rh(III)N6(3+) (HOHKEU)	Rh-N	2.06	0.01	-0.13	jj
		N-Rh-N	81.91	4.08	5.33
RhO	Rhodium(II) oxide	Rh-O	1.77	-0.10	0.06	m
RhC18N7H39O2	Rh(III)N6(3+) (LEJCUY)	Rh-N	2.10	0.01	-0.22	jj
RhC4O4	Rhodium tetracarbonyl, anion	Rh-C	1.96	-0.37	-0.04	m
RhC24N6H16O4	Rh(III)N6 (GOYRER)	Rh-N	2.05	0.07	-0.17	jj
		N-Rh-N	81.92	0.18	3.41
RhC5O5	Rhodium pentacarbonyl, cation	Rh-C(eq)	2.00	-0.05	-0.17	m
		Rh-C(ax)	2.17	0.06	0.58
		C(eq)-Rh-C(a	101.25	-7.40	-7.95
RhH12O6	Rhodium(III) hexaquo	Rh-O	2.09	-0.11	0.08	m
RhH12O6	Rh(II)(H2O)6	Rh-O	2.15	0.02	0.24	m
RhC6O12	Rh(III)O6(3-) (CAZCIP)	Rh-O	2.02	-0.09	0.04	jj
		O-Rh-O	83.74	3.72	2.14
RhF	Rhodium(I) fluoride	Rh-F	1.91	-0.06	-0.06	m
RhC12P3H36	Rh(III)P3C3 (KIJSEB)	Rh-P	2.32	-0.04	-0.04	jj
		P-Rh-P	97.65	4.45	0.72
		Rh-C	2.15	0.02	-0.09
RhC14P3H36	Rh(III)P3C3 (TOXBEN)	Rh-P	2.28	-0.05	-0.01	jj
		P-Rh-P	88.70	8.08	3.19
		Rh-C	2.16	0.00	-0.11
RhS	Rhodium sulfide	Rh-S	2.12	-0.44	0.00	m
RhC13N2H33S	Rh(III)C3N2S (KIJSAX)	Rh-N	2.31	1.68	1.26	jj
		N-Rh-N	81.05	-26.29	-17.71
		Rh-S	2.46	4.15	-0.02
		S-Rh-N	87.43	-42.84	8.96
		Rh-C	2.08	-0.08	-0.12
		C-Rh-N	93.28	50.92	-16.97
RhC3N9H15S3	Rh(III)N3S3(3+) (SCRHCL)	Rh-S	2.30	-0.11	-0.04	jj
		Rh-N	2.09	0.37	-0.21
		N-Rh-S	90.00	2.18	-3.11
RhCl	Rhodium(i) chloride	Rh-Cl	2.26	-0.35	-0.02	m
RhC8H12Cl	Rh(I)C8Cl (DBURHC10)	Rh-Cl	2.44	-0.41	0.24	jj
		Rh-C	2.21	0.32	-0.09
		Rh-C	2.15	0.15	-0.01
RhCH4ClO	Methyl rhodium(III) chloride hyd	Rh-O	1.91	-0.07	0.04	m
		Rh-C	2.03	-0.07	-0.11
		Rh-Cl	2.26	-0.27	0.00
RhC5N2H4ClO2	RhC2NCl (CAWZUV)	Rh-Cl	2.36	-0.32	0.04	jj
		Rh-C	1.84	-0.19	-0.08
		Rh-C	1.83	0.13	0.06
RhC4N4H16Cl2	Rh(III)N4Cl2(+) (DEYMUP)	Rh-N	2.10	-0.02	-0.24	jj
		N-Rh-N	83.46	5.50	6.74
		Rh-Cl	2.33	-0.26	0.04
RhC2Cl2O2	Rh(I)C2Cl2(-) (GABKOJ)	Rh-Cl	2.45	-0.32	-0.07	jj
		Rh-C	1.88	0.01	-0.12
RhC8N4H14Cl2O4	Rh(III)N4Cl2(-) (CDMGRH10)	Rh-N	2.01	-0.05	-0.19	jj
		N-Rh-N	77.68	3.92	5.25
RhC6H18S3Cl3O3	Rh(III)OS2Cl3 (DMSRHC10)	Rh-Cl	2.34	-0.27	0.08	jj
		Cl-Rh-Cl	88.46	-0.83	5.27
		Rh-S	2.23	-0.10	-0.04
		Rh-O	2.01	0.39	1.01
RhCl4	Rhodium(V) tetrachloride, cation	Rh-Cl	2.20	-0.27	-0.06	m
RhCl4O2	Rh(III)O2Cl4(-) (TMAARH)	Rh-O	2.03	-0.50	-0.35	jj
		Rh-Cl	2.33	-0.29	0.18
RhBr	Rhodium(I) bromide	Rh-Br	2.39	-0.10	-0.34	m
RhBr2O	Rhodium(V) oxide dibromide, cati	Rh-Br	2.33	-0.05	-0.13	m
		Br-Rh-Br	105.01	-14.50	-12.73
		Rh-O	1.68	-0.10	-0.01
RhBr4	Rhodium(V) tetrabromide, cation	Rh-Br	2.34	-0.06	-0.13	m
Rh2C8O8	Rh2(CO)8	Rh-Rh	2.85	0.05	0.03	m
		Rh-C(ter)	2.02	0.16	0.41
		Rh-C(br)	2.11	-0.18	0.23
Rh2C4Cl2O4	Rh2Cl2C4 (FUZBEH01)	Rh-Rh	3.14	-0.12	-0.26	jj
		Rh-Cl	2.38	-0.18	-0.02
		Cl-Rh-Rh	48.89	-3.40	3.37
		Rh-C	1.84	-0.07	-0.05
Rh2C13H13BrO2	Rh2(Cp)2CO2Br (MLDRHB10)	Rh-Rh	2.66	0.40	0.73	jj
		Rh-Br	2.50	-0.10	-0.16
		Br-Rh-Rh	101.16	-2.39	29.40
		Rh-C	2.34	-0.34	0.05
Rh2C12H20Br2	Rh2C12Br2 (RHBRAL)	Rh-Rh	3.81	-0.60	-0.91	jj
		Rh-Br	2.63	0.20	0.48
		Br-Rh-Rh	43.58	2.85	21.20
		Rh-C	2.15	0.21	0.30
PdH	Pd-H(+) (singlet sigma(+))	Pd-H	1.52	0.11	0.01	MM
PdH	Pd-H (doublet sigma(+))	Pd-H	1.54	0.02	-0.01	NN
PdH2	Palladium dihydride	Pd-H	1.53	0.09	0.26	OO
		H-Pd-H	68.00	-38.57	-41.12
PdCH3	Methyl palladium cation	Pd-C	2.00	0.27	0.00	OO
PdCH3	Methyl palladium	Pd-C	2.00	0.10	0.03	PP
PdCH4	Methyl palladium hydride	Pd-C	2.00	0.02	0.02	PP
		H-Pd-C	87.00	-12.20	-1.72
PdC2H2	Pd(C2H2) cation	Pd-C	2.48	-0.21	-0.39	QQ
PdC2H6	Dimethyl palladium, cation	Pd-C	2.03	0.00	-0.01	RR
		C-Pd-C	93.50	56.95	0.30
PdC2H6	Dimethyl palladium	Pd-C	2.00	0.11	0.03	SS
		C-Pd-C	89.90	145.81	4.41
PdC4H8	Pd(-CH2-CH2-CH2-CH2-)	Pd-C	2.03	0.01	-0.03	SS
		C-Pd-C	85.30	-9.91	2.57
PdC8H10	Pd(Cp)C3 (ALCPPD10)	Pd-C	2.27	-0.10	0.13	jj
		Pd-C	2.07	0.01	0.09
		Pd-C	2.25	-0.11	0.05
PdC9N2H21	Pd(II)C3Cl3(-) (BEHMIK)	Pd-N	2.15	0.02	-0.05	jj
		N-Pd-N	84.52	-7.66	-5.27
		Pd-C	2.15	0.00	0.25
PdN4H12	Pd(II)(NH3)4	Pd-N	2.14	-0.06	0.01	m
PdC4N4	Palladium tetracyanide	Pd-C	2.00	-0.01	-0.04	TT
PdC4N4	Pd(II)(CN)4(2-) (EATCPD)	Pd-C	2.00	-0.03	0.00	jj
		C-N	1.15	0.02	0.02
PdC8N4H12	Pd(II)N4(2+) (KUXSIF)	Pd-N	1.96	0.09	0.03	jj
PdC10N4H20	Pd(II)N4(2+) (BUXSIW)	Pd-N	2.05	0.03	-0.10	jj
		N-Pd-N	83.12	-14.24	1.08
PdC12N4H8	Pd(II)(CN)2N2 (JARCEK)	Pd-N	1.94	0.21	0.24	jj
		N-Pd-N	84.31	-12.30	-6.68
		Pd-C	2.12	-0.12	-0.20
PdN6H18	Pd(II)(NH3)6	Pd-N	2.08	0.13	0.24	m
		Pd-N'	2.56	-0.37	-0.23
PdH2O	Palladium hydride hydroxide	Pd-H	1.52	0.08	0.00	UU
		Pd-O	1.92	0.10	-0.02
		H-Pd-O	93.20	-34.05	-12.00
PdCO	Pd-CO	Pd-C	1.89	0.10	-0.06	VV
PdC2H6O	Methyl methoxy palladium(II)	Pd-O	2.04	0.16	0.12	m
		Pd-C	2.08	-0.12	-0.04
PdO2	Palladium dioxide	Pd-O	2.07	0.03	0.00	WW
PdH8O4	Palladium(II) tetraquo	Pd-O	2.11	-0.04	-0.07	m
PdC4O4	Pd(CO)4	Pd-C	2.06	-0.12	0.08	m
PdC10N2H8O4	Pd(II)O4 (EWOSUE)	Pd-O	1.98	0.09	0.02	jj
		O-Pd-O	83.10	-13.83	1.02
PdC12N4H10O4	Pd(II)N4 (BZQXPD01)	Pd-N	1.96	0.16	0.02	jj
		N-Pd-N	79.53	-4.57	4.08
PdC4N8H9O4	Pd(II)N4 (BETWEC)	Pd-N	1.96	0.10	0.02	jj
		N-Pd-N	79.31	-4.05	4.42
PdC4O8	Pd(II)(Ox)2(2-) (FOVMUY)	Pd-O	1.98	0.13	0.03	jj
		O-Pd-O	85.03	-18.56	-0.75
PdC10N2H12O8	Palladium EDTA	Pd-N	2.71	-0.41	-0.60	m
		N-Pd-N	67.37	12.12	19.05
		Pd-O	2.17	-0.01	0.17
PdF	Pd-F (doublet sigma(+))	Pd-F	2.01	-0.16	-0.05	NN
PdHF	Palladium fluoride hydride	Pd-F	1.95	0.09	-0.02	NN
		Pd-H	1.49	-0.02	0.04
		F-Pd-H	90.70	-1.96	-0.68
PdCH3F	Methyl palladium fluoride	Pd-C	2.06	0.00	-0.02	m
		Pd-F	2.01	0.00	-0.07
PdSi2P2H12	cis-Pd(PH3)2(SiH3)2	Pd-P	2.44	0.01	-0.09	m
		P-Pd-P	102.10	38.76	74.62
		Pd-Si	2.41	0.04	1.07
		Si-Pd-Si	74.40	-0.16	-35.77
PdC19PN3H22S2	(Ph)2P(CH2)3N(Me)2 - Pd(II) - (S	Pd-N	2.15	0.12	-0.06	XX
		Pd-P	2.24	0.07	-0.03
		Pd-S	2.29	0.04	0.15
		Pd-N(NCS)	2.06	0.00	-0.12
PdC6N6H6S3O	Pd(II)S3N (CAXQUN)	Pd-S	2.27	-0.03	0.08	jj
		Pd-S	2.34	-0.02	-0.08
		S-Pd-S	95.68	0.71	35.25
		Pd-N	2.04	0.02	0.95
		N-Pd-S	86.52	-3.49	-20.16
PdC4N4H6S4	Pd(II)S4 (LESSIL)	Pd-S	2.27	-0.19	0.04	jj
		S-Pd-S	89.71	0.31	-3.52
PdC10N4H20S4	Pd(II)S2N2 (BEWKAP)	Pd-S	2.26	-0.49	0.07	jj
		S-Pd-S	90.90	16.41	5.21
		Pd-N	2.09	0.04	-0.04
		Pd-N	2.13	0.02	-0.08
PdC4N6H8S4	Pd(II)S4 (DTHBPD10)	Pd-S	2.30	-0.10	0.02	jj
		S-Pd-S	92.66	-2.91	0.62
PdC14N2H24S4O4	Pd(II)S4 (FECTUC)	Pd-S	2.33	-0.03	-0.05	jj
		S-Pd-S	88.46	5.72	-2.35
PdCl	Pd-Cl (doublet sigma(+))	Pd-Cl	2.42	-0.21	-0.10	OO
PdHCl	Palladium chloride hydride	Pd-Cl	2.35	0.08	-0.07	NN
		Pd-H	1.48	0.01	0.04
		Cl-Pd-H	85.60	-1.50	-0.32
PdCH3Cl	Methyl palladium chloride	Pd-C	1.99	-0.82	0.01	NN
		Pd-Cl	2.37	0.03	-0.07
		C-Pd-Cl	94.50	31.87	-3.53
PdC8H12Cl2	Pd(II)Cl2C4 (CYOCPD02)	Pd-Cl	2.31	-0.16	0.04	jj
		Cl-Pd-Cl	91.83	0.28	5.38
		Pd-C	2.19	0.02	-0.02
PdC4N2H6Cl2	Pd(II)N2Cl2 (FEQCOT)	Pd-Cl	2.30	-0.17	0.07	jj
		Pd-N	1.97	0.05	-0.08
		N-Pd-Cl	89.70	0.32	0.25
PdC4N2H6Cl2	PdCl2(MeCN)2	Pd-N	2.03	0.01	-0.06	m
		N-Pd-N	93.90	4.03	3.86
		Pd-Cl	2.31	-0.12	0.04
		N-Pd-Cl	82.03	-1.67	-0.66
PdC4N2H12Cl2	Pd(II)N2Cl2 (AMBUPD)	Pd-Cl	2.32	-0.10	0.05	jj
		Cl-Pd-Cl	95.34	4.52	15.34
		Pd-N	2.03	0.17	0.09
PdC4N2H12Cl2	Pd(II)N2Cl2 (COGYEC)	Pd-Cl	2.31	0.09	0.19	jj
		Pd-N	2.05	0.08	0.12
		N-Pd-Cl	87.69	-5.70	-10.53
PdC16N4H24Cl2	Pd(II)Cl2N2 (BUQRUA)	Pd-Cl	2.31	-0.15	0.08	jj
		Pd-N	2.02	0.08	-0.01
		N-Pd-Cl	94.04	-3.87	-3.36
PdC11N2H10Cl2O	Pd(II)C2Cl2 (BATTIZ)	Pd-Cl	2.30	-0.12	0.06	jj
		Cl-Pd-Cl	91.06	3.05	10.35
		Pd-N	2.01	0.10	0.02
PdP2H6Cl2	cis-Pd(PH3)2Cl2	Pd-P	2.32	0.13	0.01	m
		Pd-Cl	2.38	0.00	0.03
PdP2H6Cl2	trans-Pd(PH3)2Cl2	Pd-P	2.35	-0.02	-0.01	m
		Pd-Cl	2.37	-0.25	0.05
PdC8H20S2Cl2	trans-Pd(Cl)2(SEt2)2	Pd-S	2.44	-0.49	-0.14	m
		S-Pd-S	173.40	5.88	4.58
		Pd-Cl	2.37	0.01	0.05
		S-Pd-Cl	92.62	-2.29	-1.43
PdCCl3O	Pd(II)(CO)Cl3(-) (KATPEA)	Pd-Cl	2.28	-0.01	0.10	jj
		Cl-Pd-Cl	92.82	5.14	7.82
		Pd-C	1.87	0.04	0.02
PdCl4	Pd(II)Cl4(2-) (AVUKOR)	Pd-Cl	2.30	-0.02	0.15	jj
PdCl4	Palladium(II) tetrachloride	Pd-Cl	2.44	-0.21	0.01	m
PdC10N2H8Cl4	Pd(IV)N2Cl4 (BOKHAK)	Pd-Cl	2.29	0.00	0.02	jj
		Cl-Pd-Cl	89.11	-2.59	3.12
		Pd-N	2.04	0.09	0.01
PdCl6	Pd(IV)Cl6(2-) (JIZLOT)	Pd-Cl	2.27	-0.15	0.11	jj
PdBr2	Palladium(II) dibromide	Pd-Br	2.37	-0.12	-0.08	m
		Br-Pd-Br	94.37	85.64	-5.39
PdC10N3H9Br2	Pd(II)Br2N2 (MACGON)	Pd-Br	2.42	-0.01	-0.05	jj
		Br-Pd-Br	89.08	30.37	29.42
		Pd-N	2.04	0.12	-0.01
		N-Pd-Br	91.03	-18.54	-20.46
PdC9N4H12Br2	PdC2Br2 (AMIPER)	Pd-Br	2.50	-0.05	-0.05	jj
		Br-Pd-Br	92.62	20.02	11.46
		Pd-N	3.07	0.33	0.10
PdCBr3O	Pd(II)(CO)Br3(-) (KATPIE)	Pd-Br	2.41	0.01	0.03	jj
		Br-Pd-Br	93.04	0.70	4.44
		Pd-C	1.88	0.07	0.03
PdBr4	Palladium tetrabromide	Pd-Br	2.44	0.02	0.00	YY
PdBr4	Pd(II)Br4(2-) (FETHOB)	Pd-Br	2.43	0.09	0.12	jj
PdBr4	Palladium(II) tetrabromide	Pd-Br	2.57	-0.11	-0.01	m
Pd2C12H10O2	Pd2(Cp)2(CO)2	Pd-Pd	2.75	0.31	0.42	m
		Pd-C(C=O)	2.04	0.18	0.05
		Pd-Pd-C	47.67	-9.04	-6.78
		C=O	1.18	-0.02	-0.02
		Pd-C	2.41	-0.22	-0.08
Pd2C6H10Cl2	pi-Allyl palladium chloride dime	Pd-Pd	3.52	-0.48	0.25	m
		Pd-Cl	2.48	-0.22	0.00
		Pd-Pd-Cl	45.06	-2.83	-4.35
		Pd-C	2.18	-0.05	-0.06
AgH	AgH, cation	Ag-H	1.82	0.64	-0.23	cccc
AgH	AgH	Ag-H	1.62	0.02	0.01	cccc
AgCN	Silver cyanide	Ag-C	2.11	0.00	-0.10	hhhhh
		C-N	1.18	-0.03	-0.03
AgC2N2	Ag(I)(CN)2(-) (GOKZOV)	Ag-C	2.07	0.04	0.02	jj
AgC3N3H8	Ag(I)N2C (FILSEZ)	Ag-N	2.28	0.19	0.18	jj
		Ag-N'	2.36	0.13	0.13
		N-Ag-N'	76.63	-3.65	-3.58
		Ag-C	2.06	0.14	0.01
AgN4H12	Ag(I)(NH3)4	Ag-N	2.50	-0.14	-0.20	m
AgC2N2O2	Ag(NCO)2, anion	Ag-N	2.13	-0.44	-0.05	ZZ
AgH12O6	Ag(I)(H2O)6 d10	Ag-O	2.66	0.00	0.00	m
		Ag-O'	2.59	0.00	0.00
AgC14N2H6O8	Ag(ii)N2O2 (AGPYDC10)	Ag-N	2.12	-0.37	0.12	jj
		Ag-O	2.13	-0.37	0.12
		N-Ag-O	78.21	8.76	-4.42
AgF	Silver(I) fluoride	Ag-F	2.05	-0.01	-0.07	m
AgC5NH3F7	Ag(I)CN (DUJXEL)	Ag-N	2.08	-0.31	0.15	jj
		Ag-C	2.10	-0.02	0.12
AgAl	Silver aluminide	Ag-Al	2.47	0.36	0.00	KK
AgP2H6	Ag(+).2(PH3)	Ag-P	1.81	0.58	0.15	AAA
AgC6P2H18	Ag(i)P2(+) (MOPCAV)	Ag-P	2.38	-0.05	-0.45	jj
AgC2P2N2H10O6	Ag(i)O2 (AFIWUI)	Ag-O	2.32	-0.12	-0.20	jj
AgS	Silver S	Ag-S	2.42	0.00	-0.11	hhhhh
AgHS	Silver(I) hydrogen sulfide	Ag-S	2.41	0.05	-0.06	m
		S-H	1.36	-0.03	-0.01
		Ag-S-H	94.81	5.16	3.64
AgC2N8H12S2	Ag(I)N2S2(+) (TCBZAG)	Ag-N	2.51	-0.09	1.31	jj
		Ag-S	2.44	0.25	0.02
		S-Ag-N	77.16	-6.80	-26.90
		Ag-N	2.51	-0.13	1.35
		N-Ag-N	98.71	-1.44	-19.79
		N-Ag-N-S	-123.09	44.58	40.35
AgC12N6H18S3	Ag(I)S3(+) (ZUVVIV)	Ag-S	2.51	0.35	0.04	jj
		S-C	1.69	0.01	-0.01
		C-S-Ag	106.27	5.25	28.59
		S-Ag-S	115.73	-35.27	-18.20
AgCl	Silver(I) chloride	Ag-Cl	2.38	-0.08	-0.06	m
AgCH3Cl	Methyl silver(I) chloride	Ag-C	2.17	0.11	-0.04	m
		Ag-Cl	2.48	-0.13	-0.04
AgC6N2H14SCl	Ag(I)N2SCl (VUHCAC)	Ag-N	2.41	-0.07	0.29	jj
		N-Ag-N	73.59	-0.08	-13.93
		Ag-Cl	2.40	0.03	-0.02
		Cl-Ag-N	136.15	-53.18	-44.94
		Ag-S	2.63	0.01	-0.11
AgC8H16S2ClO6	Ag(I)S2O (CIJBIG)	Ag-S	2.41	0.18	0.05	jj
		S-Ag-S	160.28	19.73	19.72
		Ag-O	2.62	-0.35	0.09
		O-Ag-S	102.67	-16.06	-19.80
AgC8H16S2ClO6	Ag(I)SSO (CIJBIG)	Ag-S	2.41	0.17	0.07	jj
		Ag-O	2.62	-0.25	0.17
AgC6N6H18S3Cl	Ag(I)S3Cl (CMURAG)	Ag-Cl	2.65	0.08	-0.02	jj
		Ag-S	2.52	0.98	2.35
		S-Ag-Cl	114.46	10.12	-32.38
		Ag-S	2.66	0.11	1.87
AgBr	Silver(I) bromide	Ag-Br	2.48	-0.14	-0.30	m
AgBr2	Dibromoargentate(i)	Ag-Br	2.45	-0.10	-0.11	jj
Ag2	Ag2	Ag-Ag	2.66	-0.37	-0.01	cccc
Ag2C6H12O6	Ag(i)O3(++) (CADXOU)	Ag-O	2.46	-0.10	0.66	jj
CdC2H6	Dimethylcadmium	Cd-C	2.11	0.01	0.00	d
CdC8N2H22	Cd(II)N2C2 (LAJMOY)	Cd-N	2.58	0.02	-0.15	jj
		N-Cd-N	71.48	0.00	3.10
		Cd-C	2.19	-0.03	0.00
CdC3N3	Cd(II)(CN)3(-)	Cd-C	2.21	-0.01	-0.03	m
CdC4N4	Cd(II)(CN)4(=)	Cd-C	2.31	-0.04	-0.03	m
CdN6H18	Cd(II)(NH3)6	Cd-N	2.48	-0.19	-0.21	m
CdC6N6H24	Cd(II)(en)3	Cd-N	2.47	-0.15	-0.15	m
CdC6N6H24	Cd(II)N6(2+) (ENCDSS)	Cd-N	2.59	-0.27	-0.26	jj
		Cd-N	2.08	0.21	0.23
		N-Cd-N	71.66	4.15	5.73
CdH2O2	Cd(II)(OH)2	Cd-O	2.03	-0.11	-0.32	m
CdH12O6	Cd(II)(H2O)6	Cd-O	2.35	-0.08	0.07	m
CdC6N2H16O6	Cd(II)O4N2 (BUNVUB10)	Cd-N	2.33	-0.04	-0.25	jj
		Cd-O	2.33	-0.04	0.02
		O-Cd-N	72.22	2.16	4.25
		Cd-O	2.30	0.09	0.70
		Cd-O	2.20	0.03	0.04
CdC10N2H12O8	Cd(II)(EDTA)(=)	Cd-N	2.45	-0.13	-0.32	m
		Cd-O	2.29	-0.15	0.18
CdCH3F	Methyl cadmium fluoride	Cd-F	2.00	-0.06	-0.07	m
		Cd-C	2.15	-0.08	0.02
CdF2	Cadmium difluoride	Cd-F	1.97	-0.07	0.01	ppp
CdF4	Cd(II)F4(=)	Cd-F	2.21	-0.17	-0.11	m
CdC2H6S2	Cd(CH3S)2	Cd-S	2.42	-0.08	-0.03	m
CdC6N6H16S2	Cd(II)N6 (CDENIC)	Cd-N	2.40	0.11	0.05	jj
		Cd-N	2.28	0.23	0.17
		N-Cd-N	75.57	-3.28	-0.27
CdC3H9S3	[Cd(CH3S)3](-)	Cd-S	2.54	-0.06	-0.03	m
CdC4N4S4	Cd(NCS)3(SCN) (=)	Cd-N	2.24	-0.22	-0.37	BBB
		Cd-S	2.57	0.03	0.07
CdCH3Cl	Methyl cadmium chloride	Cd-Cl	2.37	-0.17	-0.18	m
		Cd-C	2.16	-0.08	-0.02
CdCl2	Cadmium dichloride	Cd-Cl	2.21	-0.06	0.00	ppp
CdC10N2H10Cl2	Cd(II)N2Cl2 (CDPYCL)	Cd-Cl	2.35	-0.08	0.03	jj
		Cd-N	2.46	-0.24	-0.37
CdC2N4H8S2Cl2	Cd(II)S2Cl2 (CTURCD)	Cd-Cl	2.50	-0.24	-0.21	jj
		Cl-Cd-Cl	103.22	15.29	20.99
		Cd-S	2.45	0.17	0.28
CdC2N8H12S2Cl2	Cd(II)S2N2Cl2 (TCHZCD)	Cd-S	2.59	0.52	1.63	jj
		Cd-N	2.34	0.12	-0.02
		N-Cd-S	76.69	-13.89	-33.72
		Cd-Cl	2.73	-0.16	-0.25
		Cl-Cd-S	89.09	-3.67	-16.66
CdCl4	Cd(II)Cl4(2-) (QNLCDC10)	Cd-Cl	2.41	-0.02	0.13	jj
CdCl4	Cd(II)Cl4(=)	Cd-Cl	2.60	-0.20	-0.06	m
CdH10BrO5	Cd(II)Br.5(H2O)	Cd-Br	2.55	-0.07	0.01	m
		Cd-O	2.46	-0.20	0.09
CdBr2	Cadmium dibromide	Cd-Br	2.39	0.05	0.00	CCC
CdC2N4H8S2Br2	Cd(II)S2Br2 (PEKSUT)	Cd-Br	2.67	0.06	-0.15	jj
		Br-Cd-Br	102.71	-14.68	18.40
		Cd-S	2.52	-0.03	0.19
CdBr4	Cd(II)Br4(2-) (MAMCDB)	Cd-Br	2.58	0.08	0.25	jj
CdBr4	Cd(II)Br4(=)	Cd-Br	2.74	-0.08	0.08	m
Cd2C7N7	[Cd(II)2(CN)7](3-)	C-N	1.18	-0.02	-0.01	m
		Cd-N	2.35	-0.36	-0.47
		Cd-C	2.36	-0.04	-0.02
		Cd-C	2.29	-0.01	-0.01
InH	Indium hydride	In-H	1.84	-0.09	0.01	cccc
InC2H6	In(III)C2(+) (DMINBR)	In-C	2.12	0.03	0.03	jj
InC3H9	In(III)C3 (TRMEIN)	In-C	2.12	0.04	0.02	jj
InC3H9	Trimethyl indium	In-C	2.21	-0.06	-0.08	m
InC4H12	In(III)C4(-) (CMEIND)	In-C	2.26	-0.03	-0.07	jj
InN6H18	In(III)(NH3)6	In-N	2.38	-0.05	-0.10	m
InH3O3	Indium tri-hydroxide	In-O	2.04	-0.03	0.01	m
InH12O6	In(III)(H2O)6	In-O	2.23	-0.04	-0.05	m
InC15H21O6	In(III)O6 (ACACIN)	In-O	2.15	0.02	0.04	jj
		O-In-O	85.52	-2.39	1.15
InC18H12O6	In(III)(pc)3(3-)	In-O	2.24	-0.01	-0.02	m
InC16N2H17O6	In(III)N2O6 (BPACIN)	In-N	2.33	0.01	0.03	jj
		N-In-N	69.66	0.38	-0.37
		In-O	2.29	0.00	0.01
InC10N2H12O8	Indium(III)(EDTA)	In-N	2.37	0.01	-0.01	m
		In-O	2.16	-0.02	-0.02
InC6O12	In(III)(Ox)3(3-)	In-O	2.23	-0.01	-0.02	m
InF	Indium fluoride	In-F	1.99	-0.06	0.00	cccc
InC2H6F2	In(III)F2C2(-) (CUPRIO)	In-F	2.04	-0.08	-0.04	jj
		F-In-F	95.68	14.03	8.48
		In-C	2.15	0.05	0.00
InF3	Indium trifluoride	In-F	1.98	-0.07	-0.02	m
InF6	In(III)F6(3-) (LORCIE)	In-F	2.06	-0.01	0.02	jj
InC6PH18	In(III)C3P (FOBFAE)	In-P	2.68	0.37	-	jj
		In-C	2.17	0.00	-
		P-In-C	100.78	-2.39	-
InCH3SF2	InF2(CH3S)	In-F	2.00	-0.09	-0.03	m
		In-S	2.42	0.03	0.01
InC2H6SF2	InF2(Me2S)(+)	In-F	1.96	-0.07	0.00	m
		In-S	2.52	0.00	-0.03
InCl	Indium chloride	In-Cl	2.40	0.02	0.00	cccc
InC10N2H22S2Cl	In(III)S2N2Cl (TUPBAH)	In-S	2.45	0.04	0.02	jj
		S-In-S	105.47	4.82	4.25
		In-N	2.33	0.04	0.00
		In-Cl	2.40	0.01	0.01
InC2H6Cl2	In(III)C2Cl2(-) (AQIFEL)	In-Cl	2.51	-0.05	-0.07	jj
		Cl-In-Cl	98.22	11.20	7.07
		In-C	2.14	0.05	0.01
		C-In-Cl	103.34	5.45	3.64
InC17N2H15Cl2O	In(III)Cl2O2N2 (CAKCAS)	In-Cl	2.39	0.02	0.00	jj
		Cl-In-Cl	106.58	10.02	9.34
		In-O	2.25	0.08	0.04
		In-N	2.25	0.05	0.04
InCl3	Indium trichloride	In-Cl	2.36	-0.01	-0.03	m
InH4Cl3O2	In(III)O2Cl3 (VUKKOB)	In-Cl	2.35	0.03	0.01	jj
		In-O	2.20	0.14	0.07
		O-In-Cl	87.67	-2.70	-5.74
InCl6	In(III)Cl6(3-) (FUVCAA)	In-Cl	2.50	0.03	0.04	jj
InGaH6	InH3-GaH3, complex	In-Ga	2.81	0.03	0.00	m
InSe	Indium selenide, complex	In-Se	2.43	0.15	0.00	m
InBr	Indium bromide	In-Br	2.54	-0.02	0.02	cccc
InC2H6Br2	In(III)C2Br2(-) (MASMBI)	In-Br	2.64	-0.08	-0.05	jj
		Br-In-Br	98.96	7.13	3.90
		In-C	2.11	0.07	0.04
		C-In-Br	103.71	5.68	3.57
InBr3	Indium tribromide	In-Br	2.50	-0.05	-0.02	m
InC6N2H14SBr3	In(III)CBr3 (PETNUX)	In-Br	2.52	-0.04	-0.02	jj
		Br-In-Br	105.52	6.01	4.32
		In-C	2.17	0.03	0.00
InBr3Cl	In(((I)ClBr3(-) (BUPNAB)	In-Br	2.47	0.04	0.06	jj
		In-Cl	2.51	-0.10	-0.13
		Cl-In-Br	107.80	1.69	2.38
In2C8N2H24	In(III)C2N2 (AMDMIN)	In-In	3.28	-0.05	0.15	jj
		In-N	2.22	0.03	0.02
		N-In-In	43.12	1.30	-2.84
		In-C	2.17	0.01	-0.03
		C-In-In	113.68	8.11	4.46
In2O	Indium(I) oxide	In-O	2.02	-0.06	0.00	g
		In-O-In	145.00	-0.25	0.19
In2F6	Indium trifluoride, dimer	In-In	3.40	-0.14	0.07	m
		In-F	2.15	-0.14	-0.09
		In-F	1.97	-0.06	-0.01
In2Cl6	Indium trichloride, dimer	In-In	3.75	-0.21	-0.09	m
		In-Cl	2.57	-0.08	-0.09
		In-Cl	2.36	0.00	-0.03
In2Se	Indium(I) selenide	In-Se	2.65	-0.04	-0.02	g
		In-Se-In	113.00	-40.99	-16.79
In2Br6	Indium tribromide, dimer	In-In	3.84	-0.21	-0.09	m
		In-Br	2.72	-0.12	-0.09
		In-Br	2.50	-0.04	-0.02
SnH4	Tin tetrahydride (stannane)	Sn-H	1.70	0.00	0.00	DDD
SnCH6	Methyltin trihydride	Sn-C	2.14	0.00	0.03	g
		Sn-H	1.71	-0.01	-0.01
		H-Sn-C	109.36	-0.39	-2.79
SnC2H8	Dimethyltin dihydride	Sn-H	1.68	0.02	0.01	EEE
		Sn-C	2.15	-0.01	0.02
		H-Sn-C	108.00	1.35	0.71
		C-Sn-C	104.80	4.51	1.13
SnC3H10	Trimethyltin hydride	Sn-H	1.71	0.00	-0.02	FFF
		Sn-C	2.15	0.00	0.01
		H-Sn-C	111.50	-2.06	-0.37
SnC4H12	Tetramethyltin	Sn-C	2.13	0.01	0.01	GGG
SnC12N4H20	Sn(IV)N4C (WAYYOK)	Sn-N	2.38	0.28	0.36	jj
		Sn-N	2.05	0.03	-0.04
		N-Sn-N	78.01	-4.21	-4.75
		Sn-C	2.16	-0.01	0.00
SnC22N4H22	Sn(II)N4 (VURFUJ)	Sn-N	2.30	-0.07	-0.02	jj
		N-Sn-N	79.97	1.18	3.05
SnC6N6H24	Sn(IV)(En)3	Sn-N	2.33	-0.09	-0.06	m
SnO	Tin oxide	Sn-O	1.83	-0.15	-0.19	cccc
SnC4H12O4	Tin tetramethoxide	Sn-O	2.01	-0.07	-0.02	m
SnC12H20O4	Sn(IV)O4C2 (ACDMSN)	Sn-O	2.20	-0.15	0.02	jj
		O-Sn-O	86.14	-12.13	-5.10
		Sn-C	2.13	0.02	-0.01
SnH9O6	Sn(IV)(H2O)3(OH)3	Sn-O	2.32	-0.08	0.10	m
		Sn-O	2.00	-0.15	-0.20
SnH10O6	Sn(IV)(H2O)4(OH)2	Sn-O	2.28	-0.12	0.06	m
		Sn-O	1.97	-0.16	-0.20
SnH12O6	Sn(IV)(H2O)6	Sn-O	2.16	-0.12	0.03	m
SnC8H12O8	Sn(IV)O8 (ACETSN01)	Sn-O	2.24	-0.06	0.04	jj
		Sn-O	2.13	0.10	0.20
		O-Sn-O	61.21	-3.37	-5.94
SnC10N4H26F	Sn(IV)N4CF(+) (ROCVAG)	Sn-F	2.04	-0.03	0.00	jj
		Sn-C	2.13	0.01	-0.01
		C-Sn-F	94.23	4.89	-1.72
		Sn-N	2.29	0.16	0.23
SnC2H6F2	Dimethyltin difluoride	Sn-F	1.99	-0.03	-0.01	m
		F-Sn-F	103.85	4.97	0.70
		Sn-C	2.16	-0.04	-0.06
SnF4	Tetrafluorostannane	Sn-F	1.95	0.00	0.00	m
SnF6	Sn(IV)F6(2-) (JOZXIF)	Sn-F	1.97	0.05	0.09	jj
SnS	Tin sulfide	SnS	2.21	0.00	0.00	cccc
SnC4H12S	Sn(CH3S)(Me3)	Sn-S	2.19	-0.05	-0.05	m
		Sn-C	2.19	-0.05	-0.05
SnC6H12S4O2	Sn(IV)S2C2 (ACELID)	Sn-S	2.48	0.08	0.04	jj
		Sn-S	2.54	-0.04	-0.04
		S-Sn-S	88.64	-3.26	0.92
		Sn-C	2.10	0.02	0.02
SnH3Cl	Tin chloride trihydride	Sn-Cl	2.33	0.06	0.05	d
SnC14H12S4Cl	Sn(IV)S4Cl(-) (BTHSNA10)	Sn-S	2.44	0.05	0.05	jj
		S-Sn-S	86.88	-3.12	-2.33
		Sn-Cl	2.41	-0.06	-0.02
SnCl2	Tin dichloride	Sn-Cl	2.35	-0.03	-0.01	iiii
		Cl-Sn-Cl	99.00	-4.66	-0.31
SnC2H6Cl2	Dimethyltin dichloride	Sn-Cl	2.33	0.01	0.02	EEE
		Cl-Sn-Cl	106.20	0.41	0.06
		Sn-C	2.11	0.00	0.01
		S-Sn-Cl	108.50	0.57	-0.25
SnC3H9Cl2	Sn(IV)Cl2C3(-) (BEPFIL)	Sn-Cl	2.62	-0.12	-0.05	jj
		Sn-C	2.25	-0.10	-0.10
SnC22N4H22Cl2	Sn(IV)N4Cl2 (WATTIU)	Sn-N	2.05	0.05	0.04	jj
		N-Sn-N	82.33	-0.58	-0.06
		Sn-Cl	2.45	-0.12	-0.08
SnC12H12Cl2O	Sn(IV)C2Cl2O (ADIDUM)	Sn-C	2.12	-0.01	-0.01	jj
		C-Sn-C	136.09	-21.60	-13.44
		Sn-Cl	2.46	-0.14	-0.10
		Sn-O	2.29	1.47	0.44
SnC8H14Cl2O4	Sn(IV)O2C2Cl2 (BCMESN)	Sn-Cl	2.40	-0.07	-0.04	jj
		Cl-Sn-Cl	96.30	12.04	8.62
		Sn-O	2.52	1.01	0.46
		Sn-C	2.12	0.01	0.03
		Sn-O	2.52	1.11	0.53
SnC10H14Cl2O4	Sn(IV)O4Cl2 (ACCLTI)	Sn-O	2.05	-0.01	0.13	jj
		O-Sn-O	87.04	-5.81	-2.21
		Sn-Cl	2.35	-0.02	-0.02
		Sn-C	2.98	0.09	0.15
SnCN2H4SCl2	Sn(II)SCl2 (CAPWEV)	Sn-Cl	2.61	-0.23	-0.21	jj
		Cl-Sn-Cl	87.95	0.33	4.82
		Sn-S	2.70	-0.17	-0.11
SnC6H10S4Cl2O2	Sn(IV)S4Cl2 (CIHDEC)	Sn-S	2.62	0.02	0.04	jj
		Sn-S	2.50	0.06	0.08
		S-Sn-S	70.62	-2.00	-2.79
		Sn-Cl	2.38	-0.03	-0.01
SnCl3	Sn(II)Cl3(-) (BITXUX)	Sn-Cl	2.49	-0.10	-0.05	jj
		Cl-Sn-Cl	93.47	0.72	4.77
SnCl4	Tin tetrachloride	Sn-Cl	2.28	0.02	0.03	HHH
SnC12H10Cl4	Sn(IV)Cl4C2(2-) (ARAWAR)	Sn-Cl	2.58	-0.12	-0.02	jj
			2.14	0.05	0.02
SnH4Cl4O2	Sn(IV)O2Cl4 (CIMWIE)	Sn-O	2.17	0.13	0.29	jj
		Sn-Cl	2.37	-0.03	-0.03
		Cl-Sn-O	86.40	-9.83	-14.46
SnCl6	Sn(IV)Cl6(2-) (AMCLSN10)	Sn-Cl	2.42	0.00	0.06	jj
SnGeH6	GeH3-SnH3	Ge-Sn	2.65	-0.10	-0.02	m
SnSe	Tin selenide	Sn-Se	2.33	-0.28	0.01	d
SnH3Br	Tin bromide trihydride	Sn-Br	2.47	-0.02	0.03	qqq
		Sn-H	1.77	-0.07	-0.07
		H-Sn-H	112.80	-1.18	1.43
SnC3H9Br	Trimethyltin bromide	Sn-Br	2.49	-0.07	0.00	III
		Sn-C	2.17	-0.04	-0.03
SnBr2	Tin dibromide	Sn-Br	2.51	-0.12	-0.06	iiii
		Br-Sn-Br	100.00	-2.98	0.16
SnC2H6Br2	Dimethyltin dibromide	Sn-Br	2.54	-0.13	-0.08	m
		Br-Sn-Br	106.36	-0.19	0.30
		Sn-C	2.17	-0.06	-0.04
SnC6H10S4Br2O2	Sn(IV)S4Br2 (CARSNA)	Sn-S	2.59	0.08	0.06	jj
		Sn-S	2.52	0.06	0.08
		S-Sn-S	70.76	-2.99	-3.25
		Sn-Br	2.54	-0.12	-0.04
		Br-Sn-S	90.20	0.06	1.86
SnBr3	Sn(II)Br3(-) (BITYAE)	Sn-Br	2.65	-0.16	-0.09	jj
		Br-Sn-Br	93.42	1.66	4.62
SnBr4	Tin tetrabromide	Sn-Br	2.44	-0.06	-0.02	JJJ
SnBr6	Sn(IV)Br6(2-) (BUJPUR)	Sn-Br	2.61	-0.06	0.02	jj
Sn2C9H24SCl2O	Sn(IV)C3OCl (ACEYIQ)	Sn-Sn	3.54	-0.03	0.27	jj
		Sn-Cl	2.47	-0.10	-0.06
		Cl-Sn-Sn	132.13	8.65	-2.27
		Sn-O	2.58	0.49	0.09
		O-Sn-Sn	47.81	-8.07	-2.88
		Sn-C	2.15	0.04	0.05
SbH3	Stibine	Sb-H	1.71	0.05	0.01	ppp
		H-Sb-H	91.30	1.39	6.17
C3SbH9	Trimethyl stibine	Sb-C	2.20	-0.02	-0.02	m
		C-Sb-C	94.81	0.89	4.14
C4SbH12	Sb(V)C4(+) (BOHSIA)	Sb-C	2.06	0.02	0.01	jj
C6SbH15	Triethyl stibine	Sb-C	2.22	0.00	-0.02	m
		C-Sb-C	98.89	-2.96	-0.61
C18SbH15	Triphenyl stibine	Sb-C	2.19	0.00	-0.02	m
		C-Sb-C	98.00	-3.04	0.92
C3SbNH6	Sb(III)C3 (AFUTAW)	Sb-C	2.23	-0.06	-0.04	jj
		C-Sb-C	90.43	2.49	6.57
C3SbH9O3	Sb(III)O3 (FEPWUS)	Sb-O	2.00	-0.05	-0.01	jj
		O-Sb-O	91.18	11.25	7.62
SbH6O6	Sb(OH)6(-)	Sb-O	2.14	-0.12	-0.14	m
C2SbH6F	Dimethyl antimony fluoride	Sb-F	2.01	-0.03	0.01	m
		Sb-C	2.19	-0.04	-0.04
C3SbH9F2	Sb(V)C3F2 (TRSBDF)	Sb-F	1.99	-0.02	0.00	jj
		Sb-C	2.09	0.00	-0.01
		C-Sb-F	90.49	-0.57	-0.40
SbF3	Sb(III)F3 (UREAAF)	Sb-F	1.97	-0.03	0.01	jj
		Sb-F	1.93	0.01	0.04
		F-Sb-F	83.48	13.00	12.37
SbF4	SbF4(+)	Sb-F	1.90	0.00	0.03	m
SbF4	Sb(III)F4(-) (NAMTEB)	Sb-F	2.08	-0.10	-0.07	jj
		F-Sb-F	80.69	0.13	-0.01
SbF5	Antimony pentafluoride	Sb-F(ax)	1.94	-0.03	-0.02	m
		Sb-F(eq)	1.93	-0.02	-0.01
SbF6	Sb(V)F6(-) (COSHAT)	Sb-F	1.87	0.06	0.07	jj
SbF6	SbF6(-)	Sb-F	1.97	-0.04	-0.03	m
C3SbF9	Triperfluoromethylstibine	Sb-C	2.20	0.04	0.00	ppp
		C-Sb-C	100.00	-8.96	-2.79
Si3SbH9	Trisilylstibine	Sb-Si	2.56	0.00	-0.01	g
		Si-Sb-Si	89.00	4.00	15.39
		Si-H	1.47	0.00	0.04
C7SbH13S4O2	Sb(III)S4C (CASPER)	Sb-S	2.83	1.71	0.61	jj
		Sb-S	2.58	-0.19	-0.07
		S-Sb-S	65.90	-27.49	-6.96
		Sb-C	2.16	-0.02	-0.03
		C-Sb-S	85.29	-23.25	4.55
C2SbH6Cl	Dimethyl antimony chloride	Sb-Cl	2.44	-0.10	-0.05	m
		Sb-C	2.20	-0.04	-0.04
C4SbH10Cl	Diethyl antimony chloride	Sb-Cl	2.44	-0.10	-0.05	m
		Sb-C	2.21	-0.01	-0.02
SbClO	Antimony oxychloride	Sb=O	1.85	-0.06	-0.03	m
		Sb-Cl	2.44	-0.13	-0.10
		O=Sb-Cl	105.00	1.71	-6.39
C2SbH4S2Cl	Sb(III)S2Cl (CLSSBP10)	Sb-S	2.41	-0.02	0.01	jj
		S-Sb-S	89.14	-0.76	-2.25
		Sb-Cl	2.46	-0.14	-0.09
		Cl-Sb-S	97.99	4.23	3.50
SbCl3	Sb(III)Cl3 (ANISBC)	Sb-Cl	2.32	-0.02	0.02	jj
		Cl-Sb-Cl	96.06	1.99	1.22
		Sb-Cl	2.52	-0.22	-0.17
SbCl3	Antimony trichloride	Sb-Cl	2.32	-0.02	0.02	g
		Cl-Sb-Cl	97.09	1.11	0.20
C10SbN2H8Cl3	Sb(III)N2Cl3 (BPYSBC10)	Sb-N	2.24	1.19	-0.10	jj
		N-Sb-N	2.59	-0.28	-0.19
		Sb-Cl	82.41	-10.18	36.87
		Cl-Sb-N	-87.33	15.62	30.79
SbCl4	SbCl4(+)	Sb-Cl	2.31	-0.06	-0.04	m
C5SbH7Cl4O2	Sb(V)Cl4O2 (DOTJEB01)	Sb-Cl	2.32	-0.01	-0.02	jj
		Cl-Sb-Cl	91.57	3.54	5.33
		Sb-O	2.02	0.08	0.14
		O-Sb-Cl	87.79	2.52	1.46
SbCl5	Antimony pentachloride	Sb-Cl(ax)	2.34	0.00	-0.02	iiii
		Sb-Cl(eq)	2.28	0.02	0.03
SbCl5	Sb(III)Cl5(2-) (BPCLSB)	Sb-Cl	2.45	0.06	0.13	jj
		Sb-Cl	2.58	-0.07	0.00
C6SbH6Cl5	Sb(V)C3Cl2 (CLVISB)	Sb-Cl	2.42	0.00	0.00	jj
		Sb-C	2.16	-0.08	-0.09
		C-Sb-Cl	96.36	-7.10	-6.57
C3SbPH9Cl5O	Sb(V)OCl5 (ACMEPO)	Sb-P	3.40	0.33	-	jj
		Sb-Cl	2.32	-0.01	-
		P-Sb-Cl	164.47	15.50	-
C2SbH6SCl5O	Sb(V)Cl5O (CURDUO)	Sb-Cl	2.34	0.03	0.03	jj
		Cl-Sb-Cl	86.06	10.17	11.69
		Sb-O	2.05	0.03	0.10
SbCl6	Sb(V)Cl6(-) (ACCLSB20)	Sb-Cl	2.36	0.01	0.01	jj
SbCl6	SbCl6(-)	Sb-Cl	2.46	-0.09	-0.08	m
MnC7SbO5F6	Mn(CO)5Sb (BAZPEX)	Mn-Sb	2.66	-0.01	0.00	jj
C6SbH5Br2	Sb(III)CBr2 (KUTXUS)	Sb-Br	2.56	-0.05	-0.07	jj
		Br-Sb-Br	95.56	2.50	3.65
		Sb-C	2.16	0.00	-0.02
		C-Sb-Br	92.97	2.61	5.03
SbBr3	Sb(III)Br3 (DEJYEW)	Sb-Br	2.56	-0.07	-0.08	jj
		Sb-Br	2.52	-0.03	-0.04
		Br-Sb-Br	92.86	6.01	7.32
SbBr3	Antimony tribromide	Sb-Br	2.49	0.00	-0.01	ppp
		Br-Sb-Br	98.00	0.41	2.00
C12SbH10Br3	Sb(V)C2Br3 (DPSBTB)	Sb-Br	2.48	0.03	0.00	jj
		Sb-C	2.15	0.00	-0.03
		C-Sb-Br	103.29	16.75	15.95
C6SbH5Br4	Sb(III)CBr4(2-) (BIMKIR)	Sb-Br	2.85	-0.06	-0.02	jj
		Br-Sb-Br	86.52	3.43	2.62
		Sb-C	2.18	0.05	-0.01
		C-Sb-Br	89.83	-2.70	-3.17
SbBr5	Sb(III)Br5(2-) (CLPYSB)	Sb-Br	2.68	0.07	0.10	jj
		Sb-Br	2.74	0.01	0.05
		Br-Sb-Br	91.35	-1.85	-1.81
C6SbH5Br5	Sb(V)CBr5(-) (JINMIC)	Sb-Br	2.56	0.05	0.00	jj
		Br-Sb-Br	88.29	-0.02	1.19
		Sb-C	2.12	0.09	0.05
		C-Sb-Br	91.38	0.33	-0.86
SbBr6	Sb(V)Br6(-) (CLBRPZ)	Sb-Br	2.53	0.05	0.04	jj
SbBr6	SbBr6(-)	Sb-Br	2.64	-0.05	-0.06	m
InSbH4	InSbH4, complex	In-Sb	2.85	-0.04	-0.04	m
Sb2	Antimony, dimer	Sb-Sb	2.59	-0.21	-0.16	KKK
C8Sb2H4O12	Antimony tartarate (tartar emeti	Sb-O	2.22	-0.07	-0.03	m
		Sb-O	2.27	-0.05	-0.04
		Sb-O	2.05	0.02	0.04
Sb2F4	Sb2F4	Sb-Sb	3.01	0.04	-0.04	m
		Sb-F	1.98	-0.02	0.02
Sb2Cl4	Sb2Cl4	Sb-Sb	2.99	0.01	0.02	m
		Sb-Cl	2.40	-0.10	-0.03
C4Sb2H12Cl6	Di-m-chloro-bis(dichloro-dimethy	Sb-Sb	4.31	0.06	-0.02	jj
C2Sb2H3Cl6O4	mu-Acetato-mu-hydroxy-mu-oxo-bis	Sb-Sb	3.16	0.32	0.33	jj
Sb2Br4	Sb2Br4	Sb-Sb	2.98	-0.05	0.03	m
		Sb-Br	2.55	-0.05	-0.05
Sb2SBr5	(mu-2-bromo)-(mu-2-sulfido)-tetr	Sb-Sb	3.87	0.09	0.12	jj
H2Te	Hydrogen telluride	Te-H	1.66	-0.01	0.03	LLL
		H-Te-H	90.30	27.23	10.34
C3H9Te	Te(IV)C3(+) (HUHBIV)	Te-C	2.11	0.00	-0.02	jj
		C-Te-C	94.72	4.27	4.43
C4H12Te	Te(IV)C4 (POBWOS)	Te-C	2.31	-0.14	-0.15	jj
		Te-C	2.13	0.04	0.03
		C-Te-C	84.78	-3.61	-1.70
C2N2H2Te	Te(II)N2 (CESSAU)	Te-N	2.02	-0.10	-0.01	jj
		N-Te-N	82.52	1.79	-1.00
TeO2	Tellurium dioxide	Te-O	1.83	-0.06	-0.04	g
H6TeO6	Telluric acid (Te(OH)6)	Te-O	2.00	-0.11	-0.11	m
H6TeO6	Te(VI)O6 (BINFAF01)	Te-O	1.92	-0.04	-0.03	jj
TeF2	Tellurium difluoride	Te-F	1.98	-0.14	-0.06	m
		F-Te-F	96.53	-5.12	-0.07
C12H10TeF4	Te(VI)C2F4 (BIJVUM)	Te-F	1.90	-0.06	-0.05	jj
		F-Te-F	89.62	-0.74	-0.97
		Te-C	2.09	-0.01	-0.02
TeF5	Te(IV)F5(-) (JIJJOB)	Te-F	1.82	0.08	0.10	jj
		Te-F	1.95	-0.04	-0.05
TeOF5	Te(VI)F5O(-) (GEKZIF)	Te-O	1.79	-0.06	-0.05	jj
		Te-F	1.86	-0.03	-0.05
		F-Te-O	94.44	4.00	0.05
CNTeOF5	Pentafluoro(isocyanato)tellurium	Te-F	1.83	-0.02	-0.02	g
		Te-N	1.86	0.05	-0.06
		Te-N=C	126.50	7.43	49.29
TeF6	Tellurium hexafluoride	TeF	1.81	0.00	0.00	g
CH3TeOF6	Te(VI)F6O(-) (KUPBAY)	Te-O	1.86	0.05	0.03	jj
		Te-F	1.82	0.00	0.00
		Te-F	1.91	-0.06	-0.08
TeF7	Te(VI)F7(-) (ROLSOA)	Te-F	1.83	0.01	-0.01	jj
		Te-F	1.88	-0.04	-0.06
C2TeF8	Te(IV)C2F2 (VEJWUC)	Te-F	1.97	-0.11	-0.10	jj
		F-Te-F	157.55	-10.97	5.80
		Te-C	2.19	0.02	0.03
		C-Te-F	84.49	-4.06	1.18
AlTe	Al-Te, complex	Al-Te	2.41	0.57	-0.12	m
AlH3Te	TeH-AlH2, complex	Al-Te	2.55	1.04	-0.02	m
PTeF5	TeF2.PF3	Te-F	2.08	0.48	-0.15	m
		Te-P	2.48	-0.52	0.02
PTeF6	TeF3.PF3(+)	Te-F	1.93	0.64	-0.06	m
		Te-P	2.99	-0.90	-0.37
C2H6TeS	Me-Te-S-Me	Te-S	2.49	-0.06	0.00	m
		Te-C	2.18	-0.04	-0.04
C3H6TeS	-Te-S-(CH2)3-	Te-S	2.47	-0.06	0.00	m
		Te-C	2.22	-0.06	-0.05
TeS2	TeS2	Te-S	2.29	0.02	-0.02	m
H2TeS2	Te(SH)2	Te-S	2.49	-0.07	0.00	m
C2H6TeS2	Te(II)S2 (RACNEP)	Te-S	2.41	-0.02	0.02	jj
		S-Te-S	98.89	0.44	0.33
C9PH13TeS2O3	MeOPh-Te-S-P(S)(OMe)2	Te-C	2.11	0.01	-0.03	MMM
		Te-S	2.44	-0.01	0.02
		C-Te-S	94.89	-0.49	-0.27
		S-P	2.05	0.08	0.04
		P-S-Te	103.33	1.90	6.11
		P=S	1.93	-0.03	-0.04
		S=P-S	107.89	13.96	11.21
C4H6TeS4O2	Te(II)S4 (TEMXAN10)	Te-S	2.50	-0.10	0.11	jj
		Te-S	2.85	0.50	0.01
		S-Te-S	66.33	-5.20	-1.70
TeCl2	Tellurium dichloride	Te-Cl	2.40	-0.09	0.02	m
		Cl-Te-Cl	100.41	-6.59	-5.45
C2H6TeCl2	Te(IV)C2Cl2 (DMTECL02)	Te-C	2.12	0.02	0.02	jj
		C-Te-C	96.58	1.63	5.19
		Te-Cl	2.54	-0.07	-0.06
C4H8TeCl2	Te(IV)C2Br2 (BIBBOE)	Te-Cl	2.53	-0.04	-0.03	jj
		Cl-Te-Cl	174.13	-4.49	-8.28
		Te-C	2.13	0.02	0.04
C2H4TeCl3O2	Te(IV)O2Cl3(-) (PORSOE)	Te-O	1.95	-0.04	0.01	jj
		O-Te-O	83.16	-1.22	-6.57
		Te-Cl	2.48	0.06	0.03
TeCl4	Tellurium tetrachloride	Te-Cl	2.33	0.01	0.12	pppp
TeCl6	Te(IV)Cl6(2-) (BEXSEC)	Te-Cl	2.53	0.01	0.06	jj
GeTe	Germanium telluride	Ge-Te	2.34	0.25	0.00	cccc
C6H15TeBr	Et3TeBr	Te-C	2.28	-0.11	-0.06	m
		Te-Br	2.93	-0.08	-0.20
TeBr2	Tellurium dibromide	Te-Br	2.51	-0.04	0.00	ppp
		Br-Te-Br	98.00	-2.92	-0.60
C2H6TeBr2	Te(IV)C2Br2 (COQNOL)	Te-C	2.10	0.03	0.02	jj
		C-Te-C	95.49	5.90	9.68
		Te-Br	2.65	-0.02	0.00
C10N2H20TeS4Br	Te(IV)S4Br2 (BAWFIO)	Te-Br	2.82	-0.24	-0.20	jj
		Br-Te-Br	94.86	-12.27	-12.70
		Te-S	2.56	-0.10	-0.07
TeBr4	Tellurium tetrabromide	Te-Br	2.68	0.17	0.00	pppp
TeBr6	Te(IV)Br6(2-) (CIXRIK)	Te-Br	2.71	-0.10	0.08	jj
TeBr6	TeBr6(=)	Te-Br	2.81	-0.11	-0.01	m
In2Te	Indium(I) telluride	In-Te	2.84	-0.01	-0.11	g
		In-Te-In	99.00	48.34	24.60
SnTe	Tin telluride	Sn-Te	2.52	-0.14	0.01	cccc
Te2	Tellurium, dimer	Te-Te	2.56	-0.13	-0.02	cccc
Te2OF10	Bis(pentafluorotellurium)oxide	Te-O	1.83	0.04	0.02	g
		Te-O-Te	145.50	-9.29	34.57
		Te-Feq	1.82	-0.01	-0.01
		Te-Fax	1.80	0.01	0.01
		Fax-Te-Feq	89.90	1.47	1.62
Te4Cl16	Te4Cl16	XX-Te	2.78	0.07	-0.11	m
		XX-Cl	2.40	-0.17	-0.30
HI	Hydrogen iodide	H-I	1.61	0.03	0.03	cccc
LiI	Lithium iodide	Li-I	2.39	-0.04	0.14	BB
BeI	Beryllium iodide	Be-I	2.13	0.03	0.07	a
CH3I	Iodomethane	C-H	1.08	0.01	0.00	qqq
		C-I	2.13	0.01	0.00
		H-C-H	111.20	-1.06	-1.17
C6H5I	Iodobenzene	C-I	2.13	-0.02	-0.02	m
LiC15N3H15I	Li(I)N3I (JEPRUR)	Li-I	2.75	0.08	0.35	jj
		Li-N	2.04	0.21	0.12
		N-Li-I	108.03	-0.93	-10.71
LiC8H20IO4	Li(I)O4I (HARCEI)	Li-I	2.88	-0.20	-0.03	jj
		Li-O	2.04	0.21	0.20
		O-Li-I	117.61	4.75	-8.89
LiH10IO5	Li(+)(H2O)5.I	Li-O	2.20	0.59	0.14	m
		Li-I	3.43	-0.77	-0.03
IF	Iodine fluoride	I-F	1.91	-0.05	0.02	a
CIF3	Trifluoroiodomethane	C-I	2.13	0.05	0.02	a
		C-F	1.33	-0.01	0.00
		F-C-I	110.62	1.91	2.50
IF5	Iodine pentafluoride	I-F(ax)	1.84	-0.03	0.07	NNN
		I-F(eq)	1.87	0.02	-0.03
		F(ax)-I-F(eq	81.90	11.05	8.33
IF7	Iodine heptafluoride	I-F(ax)	1.76	0.03	0.06	ww
		I-F(eq)	1.86	-0.06	-0.04
NaI	Sodium iodide	Na-I	2.71	0.03	-0.07	BB
AlC3H9I	Al(III)C3I(-) (MAIMAL)	Al-I	2.66	0.07	0.12	jj
		Al-C	1.96	0.12	0.03
		C-Al-I	107.56	-9.06	-2.85
SiH3I	Iodosilane	Si-I	2.44	-0.08	0.01	a
		Si-H	1.49	-0.02	0.00
		H-Si-I	108.50	2.70	0.80
ICl	Iodine chloride	ICl	2.33	-0.01	0.02	a
KI	Potassium iodide	K-I	3.09	0.03	0.11	gggg
KH10IO5	K(+)(H2O)5.I	K-I	3.51	0.06	-0.19	m
KC13NH27IO5	K(I)O5NI (DUGHOC)	K-I	3.47	-0.01	0.10	jj
		K-O	2.70	0.43	0.24
		O-K-I	120.97	-12.01	-16.54
CaI	Calcium monoiodide	Ca-I	2.83	0.00	-0.04	OOO
CaH10IO5	Ca(++)(H2O)5.I	Ca-O	2.42	0.00	-0.05	m
		Ca-I	3.00	-0.17	-0.02
ScI	Scandium(I) iodide	Sc-I	2.63	0.10	-0.03	m
ScCNH5I	Scandium NH2 CH3 I	Sc-N	1.98	-0.01	-0.06	hhhhh
		Sc-C	2.19	0.05	0.02
		Sc-I	2.75	-0.02	-0.02
ScIO	Scandium(III) oxide iodide	Sc=O	1.69	-0.03	-0.02	m
		Sc-I	2.73	-0.08	-0.05
		O=Sc-I	125.86	54.14	-16.81
TiI	Titanium(I) iodide	Ti-I	2.63	-0.05	0.00	m
TiC18H26I	Ti(III)Cp2I (PEMKOH)	Ti-I	2.76	0.06	-0.05	jj
		Ti-C	2.37	-0.03	0.03
VI	Vanadium(I) iodide	V-I	2.59	-0.30	0.02	m
VIO2	Vanadium(V) iodide dioxide	V-I	2.55	-0.15	0.01	m
		V=O	1.60	-0.07	-0.04
CrI	Chromium(I) iodide	Cr-I	2.51	-0.05	-0.04	m
MnI	Manganese(I) iodide	Mn-I	2.46	-0.21	-0.17	m
MnC13N2H8IO3	Mn(CO)3N2I (YOMHEN)	Mn-I	2.72	-0.27	-0.02	jj
		Mn-N	2.05	-0.20	-0.13
		I-Mn-N	87.69	0.91	4.68
		Mn-C	1.77	0.10	0.07
MnC5IO5	Mn(CO)5I (VUCFAA)	Mn-I	2.69	-0.23	-0.07	jj
		Mn-C	1.84	0.01	-0.02
MnHSI	Manganese IS	Mn-I	2.41	-0.18	0.03	hhhhh
		Mn-S	2.10	0.01	0.09
		I-Mn-S	115.60	64.40	64.83
MnPH3SIF	Manganese I F PH2 SH	Mn-I	2.50	-0.28	-0.04	hhhhh
		Mn-F	1.75	-0.33	-0.02
		Mn-P	2.27	0.46	0.01
		Mn-S	2.16	-0.07	0.01
FeI	Iron(I) iodide	Fe-I	2.44	0.14	0.37	m
FeC6H5IO3	FeC6I (ALCOFE10)	Fe-I	2.75	-0.12	0.05	jj
		Fe-C(O)	1.80	-0.02	-0.07
		C-Fe-I	81.60	22.99	-6.18
		C-O	1.18	-0.03	-0.01
		Fe-C(C2)	2.33	0.43	-0.33
CoI	Cobalt(I) iodide	Co-I	2.39	0.06	-0.73	m
CoIO	Cobalt(III) oxide iodide	Co=O	1.60	-0.03	0.00	m
		Co-I	2.40	0.03	-0.73
CoC10NH15S2I	Co(III)IS2Cp (GECVEP)	Co-S	2.25	0.04	-0.09	jj
		S-Co-S	76.54	0.12	1.07
		Co-I	2.60	-0.07	0.02
		I-Co-S	95.58	-7.72	-5.20
		Co-C	2.03	-0.01	0.03
CoCH3ICl	Methylcobalt chloride iodide	Co-C	1.95	-0.16	-0.05	hhhhh
		Co-I	2.47	0.02	-0.79
		C-Co-I	101.45	6.10	9.23
		Co-Cl	2.14	0.02	-0.03
		C_Co-Cl	97.12	3.64	27.57
NiI	Nickel(I) iodide	Ni-I	2.39	0.02	-0.13	m
NiCH3I	Methyl nickel(II) iodide	Ni-I	2.39	0.02	-0.06	m
		Ni-C	1.85	0.07	0.06
		I-Ni-C	107.51	72.61	0.02
NiICl	Nickel I Cl	Ni-I	2.41	-0.01	-0.08	hhhhh
		Ni-Cl	2.08	0.07	-0.02
		I-Ni-Cl	120.17	57.21	-7.21
CuI	Copper(I) iodide	Cu-I	2.39	0.03	-0.03	m
CuIO	Copper(III) oxide iodide	Cu=O	1.71	-0.06	0.14	m
		Cu-I	2.42	0.38	0.62
ZnC6N4H18I	Zn(II)N4I(+) (ZNETAM10)	Zn-I	2.58	0.00	-0.08	jj
		Zn-N	2.14	-0.01	0.09
		N-Zn-I	111.12	-4.16	0.06
GaI	Gallium iodide	Ga-I	2.58	0.14	0.01	cccc
GaH4I	GaH3-HI, complex	Ga-I	3.04	0.76	-0.02	m
GeH3I	Iodogermane	Ge-I	2.51	-0.15	0.00	d
GeC5H7IO2	GeO2I (IACGER)	Ge-I	2.74	-0.28	-0.04	jj
		Ge-O	1.93	-0.07	-0.04
		O-Ge-I	91.60	8.50	5.78
GeC5NH12S2I	GeC2S2I (KADKUV)	Ge-I	2.71	-0.38	0.69	jj
		Ge-S	2.69	0.46	-0.35
		S-Ge-I	160.10	1.58	-34.59
		Ge-C	1.91	0.02	-0.02
C4As2H12I	As(V)IC2As(+) (FARRAR)	As-I	2.52	-0.12	-0.17	jj
		As-As	2.43	0.16	0.02
		I-As-As	114.45	0.76	5.12
		As-C	1.83	0.08	0.07
		As-C	2.03	-0.09	-0.12
IBr	Iodine bromide	IBr	2.48	-0.01	0.00	a
C4H4IBr	1-Bromo-4-iodobutadiene	Br-I	3.95	0.23	1.85	m
		C-I	2.11	-0.01	-0.01
		C-Br	1.91	-0.01	0.00
TiPH3SIBr	Titanium PH2 SH Br I	Ti-P	2.47	-0.03	-0.06	hhhhh
		Ti-S	2.31	-0.11	-0.16
		Ti-I	2.60	0.11	0.09
		Ti-Br	2.38	-0.02	0.05
TiCH3IBrCl	Titanium C Cl Br I	Ti-Cl	2.23	-0.04	-0.11	hhhhh
		Ti-C	2.08	-0.01	-0.19
		Ti-Br	2.38	-0.02	0.00
		Ti-I	2.60	0.10	0.11
VCH3IBrClF	V(V)(CH3)BrClFI	V-F	1.76	-0.04	-0.10	hhhhh
		V-Cl	2.21	-0.09	-0.06
		V-Br	2.41	-0.15	-0.06
		V-I	2.67	0.11	0.21
		V-C	2.14	0.33	0.62
RbI	Rubidium iodide	RbI	3.18	-0.31	0.26	cccc
SrH10IO5	Sr(II)(H2O)5.I	Sr-I	3.18	-0.10	-0.04	m
		Sr-O	2.63	-0.44	0.08
YI	Yttrium(I) monoiodide	Y-I	2.80	0.01	-0.34	m
ZrI	Zirconium(I) iodide	Zr-I	2.76	0.14	0.04	m
ZrCH3IClF	Zirconium F I Cl C	Zr-F	1.95	-0.06	-0.02	hhhhh
		Zr-I	2.78	0.06	0.06
		Zr-Cl	2.39	-0.04	-0.04
		Zr-C	2.22	-0.10	0.03
NbI	Niobium(I) iodide	Nb-I	2.67	-0.12	-0.12	m
NbC2H6I	Dimethyl niobium iodide	Nb-C	2.13	-0.06	0.06	m
		Nb-I	2.69	0.02	-0.04
		C-Nb-I	119.06	-8.92	-0.09
MoI	Molybdenum(I) iodide	Mo-I	2.64	-0.02	-0.51	m
TcI	Technetium(I) iodide	Tc-I	2.69	-0.01	-0.95	m
TcIO	Technetium(III) oxide iodide	Tc-O	1.66	0.01	-0.02	m
		Tc-I	2.63	0.00	-0.70
TcC5IO5	Tc(CO)5I	Tc-C	2.03	-0.02	0.01	m
		Tc-I	2.86	-0.11	0.03
RuI	Ruthenium(I) iodide	Ru-I	2.60	-0.06	-0.37	m
RuC9H11I	RuC9I (BEPJEL)	Ru-I	2.73	0.06	-0.06	jj
		Ru-C	2.21	0.03	0.00
		C-Ru-I	87.42	-3.78	-0.75
RuC10H10I	Ru(Cp)2I(+) (RUTCIT10)	Ru-I	2.73	-0.01	-0.04	jj
		Ru-C	2.20	0.06	0.05
		C-Ru-I	110.56	4.88	1.18
RuC6H5IO3	Ru(CO)3(C3H6)I	Ru-C	2.29	0.22	-0.02	m
		Ru-I	2.81	-0.01	-0.16
		Ru-C(CO)	1.98	0.00	-0.05
RhI	Rhodium(I) iodide	Rh-I	2.59	-0.10	-0.63	m
RhC13N5H19IO4	Rh(III)N4CI (HEFTER)	Rh-N	1.99	-0.03	-0.15	jj
		N-Rh-N	78.48	2.48	3.51
		Rh-I	2.64	-0.01	-0.12
		Rh-N'	2.08	0.11	-0.12
PdIF	Palladium F I	Pd-F	1.93	-0.17	-0.02	hhhhh
		Pd-I	2.59	-0.11	-0.11
AgI	Silver(I) iodide	Ag-I	2.66	-0.08	-0.65	m
InI	Indium iodide	In-I	2.73	0.02	0.00	PPP
In2C12N4H32IBr	In(III)N2IBrIn (CIHPOY)	In-In	2.78	0.03	0.05	jj
		In-I	2.76	0.04	0.06
		I-In-In	93.18	4.55	-4.40
		In-Br	2.60	-0.06	-0.04
		Br-In-In	128.00	-26.57	2.91
		In-N	2.31	0.15	0.01
SnH3I	Tin iodide trihydride	Sn-I	2.67	0.25	0.05	d
SnC3H9I	Trimethyltin iodide	Sn-I	2.72	0.20	0.01	III
C2SbH6I	Sb(III)C2I (DOQWEL)	Sb-I	2.80	-0.02	0.03	jj
		Sb-C	2.16	0.00	0.00
		C-Sb-I	92.97	2.46	5.70
C2SbH6I	Sb(III)IC2 (DOQWEL)	Sb-I	2.80	-0.02	0.03	jj
		Sb-C	2.16	0.00	0.00
		C-Sb-I	92.97	2.39	5.66
I2	Iodine	II	2.67	-0.04	-0.09	a
Li2I2	Lithium iodide dimer	Li-I	2.68	0.13	0.08	m
		Li-I-Li	113.94	-22.78	-19.57
BeI2	Beryllium diiodide	Be-I	2.12	0.01	-0.02	a
CH2I2	Diiodomethane	C-H	1.09	0.00	0.01	m
		H-C-H	112.00	-1.15	-2.82
		C-I	2.18	-0.02	-0.05
C2H2I2	E-1,2-Diiodoethylene	C=C	1.34	-0.01	-0.02	m
		C-H	1.09	-0.01	-0.01
		H-C-C	124.62	2.73	2.44
		C-I	2.12	-0.02	-0.01
		C-C-I	121.57	-0.23	0.01
C2H2I2	Z-1,2-Diiodoethylene	C-C	1.34	-0.01	-0.02	m
		C-H	1.09	0.00	0.00
		H-C-C	119.97	2.04	3.55
		C-I	2.11	-0.01	-0.01
		C-C-I	127.03	0.36	-0.62
C6H4I2	1,2-Diiodobenzene	I-I	3.76	0.00	-0.07	m
Li2C12N4H32I2	Li(II)2I2N4 (SAJVAA)	Li-Li	3.29	0.08	0.27	jj
		Li-I	2.74	0.22	0.18
		I-Li-Li	53.23	4.27	-0.69
		Li-N	2.13	0.07	0.01
Na2I2	Sodium iodide, dimer	Na-I	3.00	-0.04	0.06	gggg
		I-Na-I	102.50	-13.45	-14.22
MgI2	Magnesium diiodide	Mg-I	2.52	0.09	0.00	a
AlC2H6I2	Al(III)C2I2(-) (CSIMAL)	Al-I	2.65	-0.04	0.03	jj
		I-Al-I	102.27	5.83	2.09
		Al-C	1.98	0.09	0.00
K2I2	Potassium iodide, dimer	K-I	3.50	-0.10	-0.13	gggg
		I-K-I	95.20	-12.79	14.18
CaI2	Calcium diiodide	Ca-I	2.83	-0.03	-0.05	iiii
CaC20N4H16I2	Ca(II)N4I2 (TAQQEH)	Ca-N	2.50	0.03	-0.16	jj
		N-Ca-N	65.54	2.30	4.77
		Ca-I	3.08	-0.11	-0.08
		I-Ca-N	94.84	-8.76	-6.34
CaC10N5H15I2	Ca(II)N5I2 (TANQOO)	Ca-I	3.13	-0.05	2.06	jj
		Ca-N	2.52	0.14	-0.27
		N-Ca-I	95.84	-21.96	-46.08
TiC8N4H12I2	Ti(III)I2N4(+) (KADVIU)	Ti-I	2.68	0.12	0.05	jj
		Ti-N	2.15	-0.13	0.01
		C-N	1.18	-0.02	-0.02
		C-C	1.42	0.01	0.01
TiI2O	Titanium(IV) oxide diiodide	Ti-I	2.60	0.11	0.05	m
		Ti=O	1.62	0.09	-0.02
CrC5H5I2	Cr(III)CpI2	Cr-I	2.55	-0.14	-0.11	m
		I-Cr-I	107.40	-6.83	-1.31
		Cr-C	2.21	0.22	0.00
CrI2O2	Chromium(VI) diiodide dioxide	Cr-I	2.50	-0.01	-0.05	m
		Cr=O	1.58	0.00	-0.01
MnI2O	Manganese(IV) oxide diiodide	Mn-O	1.55	0.03	0.00	m
		Mn-I	2.45	-0.22	-0.01
		O-Mn-I	120.06	-3.69	4.16
MnH8I2O4	Mn(II)(H2O)4I2(trans)	Mn-I	2.73	-0.41	-0.21	m
		Mn-O	2.08	-0.08	0.15
Mn2C8I2O8	Mn2(CO)8I2 (SIZYUV)	Mn-Mn	3.98	-0.43	-0.02	jj
		Mn-I	2.70	-0.21	0.04
		I-Mn-Mn	42.57	1.71	0.96
		Mn-C	1.88	0.00	-0.03
CoC4N4H4I2O4	Co(III)N4I2(-) (FIRCOY01)	Co-I	2.58	0.04	0.73	jj
		Co-N	1.88	0.10	0.02
NiC3H8I2O2	Ni 2O and 2I	Ni-O	2.10	-0.18	-0.07	m
		O-Ni-O	64.56	8.22	4.99
		Ni-I	2.47	-0.04	-0.04
		I-Ni-O	101.07	2.48	11.91
		I-Ni-O-O	176.50	71.75	15.76
NiC4H12S2I2	cis (Me2S)2NiI2	Ni-S	2.29	-0.07	-0.13	m
		S-Ni-S	85.06	24.19	-4.89
		Ni-I	2.56	-0.10	-0.04
		I-Ni-S	167.78	-65.77	4.88
NiC4H12S2I2	trans (Me2S)2NiI2	Ni-S	2.27	-0.05	-0.14	m
		Ni-I	2.58	-0.12	-0.05
		I-Ni-S	85.41	16.32	-6.64
ZnI2	Zinc diiodide	Zn-I	2.40	0.12	-0.06	iiii
		I-Zn-I	180.00	0.00	0.00
ZnC10N2H10I2	Zn(II)N2I2 (ZNPYDI)	Zn-I	2.55	0.06	0.06	jj
		I-Zn-I	120.34	3.81	12.28
		Zn-N	2.05	0.03	0.07
ZnC2N4H8I2O2	Zn(II)O2I2 (ACAQAW)	Zn-I	2.53	0.06	0.04	jj
		I-Zn-I	113.98	18.25	25.44
		Zn-O	1.97	0.14	0.09
CAsH3I2	As(III)CI2 (DIMARS)	As-C	2.07	-0.10	-0.13	jj
		As-I	2.54	-0.07	-0.18
		I-As-C	90.22	10.25	13.66
C3AsH9I2	AsC3I (ZODJOR)	As-I	2.27	1.92	0.17	jj
		As-C	1.83	0.15	0.10
		C-As-I	102.99	11.51	11.22
Rb2I2	Rubidium iodide, dimer	Rb-I	3.56	-0.15	0.11	m
		I-Rb-I	96.03	-14.92	-7.77
SrI2	Strontium diiodide	Sr-I	3.01	-0.11	-0.01	iiii
SrC10N5H15I2	Sr(II)N5I2 (TANQUU)	Sr-I	3.27	-0.04	-0.08	jj
		Sr-N	2.68	0.14	-0.01
		N-Sr-I	97.57	-26.37	-9.01
SrC9N2H28I2O3	Sr(II)N2O2I2 (TAQPUW)	Sr-O	2.58	-0.37	0.18	jj
		Sr-I	3.26	-0.03	0.03
		I-Sr-O	85.16	-4.70	-18.34
		Sr-N	2.83	0.03	-0.08
SrH8I2O4	cis-Sr(II)(H2O)4.I2	Sr-I	3.16	0.03	0.17	m
		Sr-O	2.60	-0.44	0.04
		I-Sr-I	126.28	8.85	0.72
SrC12H30I2O6	Sr(II)O6I2 (FOGRUP)	Sr-I	3.38	0.01	-0.17	jj
		I-Sr-I	158.69	21.31	21.00
		Sr-O	2.65	-0.27	0.22
		O-Sr-I	76.03	-0.39	5.74
YC20H40I2O5	Y(III)O5I2(+) (ERASIZ)	Y-I	2.97	-0.07	-0.02	jj
		Y-O	2.39	0.03	0.15
		O-Y-I	90.39	-0.44	-0.33
ZrC10H10I2	Zr(IV)(Cp)2I2 (IDCPZR)	Zr-I	2.83	0.04	0.04	jj
		I-Zr-I	96.20	0.13	0.47
		Zr-C	2.51	0.00	0.10
ZrI2O	Zirconium(IV) oxide diiodide	Zr-I	2.76	0.13	0.05	m
		Zr=O	1.77	-0.06	0.01
MoI2O2	Molybdenum(VI) diiodide dioxide	Mo-I	2.64	0.05	-0.34	m
		Mo=O	1.73	-0.02	-0.03
RuC12N2H8I2O2	RuN2(CO)2I2 (TAWVUI)	Ru-N	2.12	0.13	0.01	jj
		N-Ru-N	76.24	-3.45	2.01
		Ru-C	1.86	0.17	0.02
		Ru-I	2.71	0.14	-0.03
RuC4I2O4	Ru(CO)4I2 (FOJBIP)	Ru-I	2.72	0.07	-0.12	jj
		Ru-C	2.00	0.02	-0.06
		C-Ru-I	87.88	1.04	-1.34
RuC4I2O4	Ru(CO)4i2	Ru-C	2.00	0.03	-0.06	m
		Ru-I	2.79	0.10	-0.18
PdC16P2H22I2	Pd(II)P2I2 (IMPPPD01)	Pd-I	2.59	0.18	0.01	jj
		Pd-P	2.33	0.05	-0.09
		P-Pd-I	87.62	3.97	-1.04
CdI2	Cadmium diiodide	Cd-I	2.55	0.13	-0.71	ppp
CdC5N3H15I2	Cd(II)N3I2 (JAQRUO)	Cd-I	2.90	-0.12	0.10	jj
		Cd-I	2.74	0.02	0.14
		I-Cd-I	101.77	19.22	44.65
		Cd-N	2.29	-0.06	-0.12
CdC2N4H8S2I2	Cd(II)S2I2 (ZZZAWD01)	Cd-S	2.54	-0.02	0.20	jj
		S-Cd-S	106.48	39.16	-3.28
		Cd-I	2.78	0.06	0.19
InC8N2H21I2	In(III)I2N2C (DACJIA)	In-I	2.92	-0.15	-0.16	jj
		In-I	2.75	0.00	-0.01
		I-In-I	93.32	7.46	4.71
		In-N	2.44	0.07	0.01
		In-C	2.17	0.04	0.01
SnI2	Tin diiodide	Sn-I	2.71	0.20	-0.02	iiii
		I-Sn-I	103.80	-10.89	-0.39
SnC2H6I2	Dimethyltin diiodide	Sn-I	2.76	0.14	-0.06	m
		I-Sn-I	107.06	-1.23	0.98
		Sn-C	2.18	-0.08	-0.04
SnC6H10S4I2O2	Sn(IV)S4I2 (CARSNB)	Sn-I	2.76	0.16	-0.04	jj
		I-Sn-I	98.64	1.60	4.67
		Sn-S	2.65	-0.03	-0.01
C2SbH6I2	Sb(III)C2I2(-) (ELECED)	Sb-I	3.00	0.02	0.14	jj
		Sb-C	2.16	0.04	0.01
		C-Sb-I	87.82	1.10	2.00
C2H6TeI2	Te(IV)C2I2 (DIDMTE)	Te-C	2.13	0.00	-0.03	jj
		Te-C	2.15	-0.02	-0.05
		C-Te-C	91.27	7.69	13.93
		Te-I	2.85	0.03	0.22
C2N4H8TeS2I2	Te(II)S2I2 (FOBBAZ)	Te-I	3.16	-0.46	-0.27	jj
		I-Te-I	93.98	4.25	1.57
		Te-S	2.52	-0.10	-0.21
BI3	Boron triiodide	B-I	2.14	-0.03	-0.03	AA
CHI3	Iodoform	C-H	1.09	0.01	0.02	m
		C-I	2.18	-0.01	-0.05
		I-C-H	105.79	0.02	-0.48
AlI3	Aluminum triiodide	Al-I	2.50	-0.06	-0.01	a
Si2C12H27I3	SiSiI3 (MEFDEG)	Si-Si	2.43	-0.13	-0.26	jj
		Si-I	2.47	-0.09	0.01
		I-Si-Si	115.60	-5.67	-2.67
		Si-C	1.94	0.02	0.04
PI3	Phosphorus triiodide	P-I	2.52	-0.02	0.00	m
		I-P-I	103.78	0.35	0.94
ScI3	Scandium(III) triiodide	Sc-I	2.67	0.02	0.00	m
VI3	Vanadium(III) triiodide	V-I	2.52	-0.23	0.00	m
CoI3	Cobalt triiodide	Co-I	2.42	0.06	1.70	m
		I-Co-I	107.68	-2.92	-113.29
NiC6P2H18I3	Ni(III)I3P2 (GAPYAX)	Ni-I	4.46	0.05	0.59	jj
		Ni-P	2.25	-0.13	-0.05
GaI3	Gallium triiodide	Ga-I	2.46	0.27	0.25	iiii
GeCH3I3	GeCI3 (CUDKIV)	Ge-I	2.50	-0.14	0.01	jj
		Ge-C	1.92	0.01	0.00
		C-Ge-I	110.44	-2.13	-1.74
GeC10H15I3	GeCI3 (BAFNIG)	Ge-I	2.53	-0.17	-0.02	jj
		I-Ge-I	108.62	1.21	1.67
		Ge-C	2.03	-0.01	-0.03
AsI3	Arsenic triiodide	As-I	2.55	-0.08	-0.22	ppp
		I-As-I	100.20	4.23	11.05
YI3	Yttrium(III) triiodide	Y-I	2.84	-0.09	-0.17	m
NbI3	Niobium(III) triiodide	Nb-I	2.66	-0.02	-0.04	m
NbI3O	Niobium(V) oxide triiodide	Nb-O	1.73	0.02	-0.02	m
		Nb-I	2.68	-0.01	-0.04
		O-Nb-I	107.31	-7.86	-1.22
MoC12H24I3O3	Mo(III)I3O3 (FIRHUJ)	Mo-I	2.75	-0.03	-0.22	jj
		I-Mo-I	89.90	2.77	3.72
		Mo-O	2.21	0.22	0.17
		O-Mo-I	90.10	1.46	13.93
TcI3	Technetium(III) triiodide	Tc-I	2.60	0.05	0.15	m
		I-Tc-I	110.22	18.22	-4.28
RuC2N3H8I3O	Ru(III)N3I3 (PIDNEV)	Ru-I	2.71	0.15	0.04	jj
		I-Ru-I	88.44	-1.13	4.12
		Ru-N	2.15	0.12	0.06
InI3	Indium triiodide	In-I	2.64	0.05	0.00	iiii
C6SbH12S3I3	Sb(III)S3I3 (JUYKUJ)	Sb-I	2.90	-0.12	-0.12	jj
		I-Sb-I	100.09	-5.86	-1.44
		Sb-S	2.89	-0.19	0.87
		S-Sb-I	97.64	-14.12	-16.80
CI4	Carbon tetraiodide	C-I	2.15	0.05	-0.01	jj
Al2C4N2H12I4	Al(III)I2N2 (DIMAAL)	Al-I	2.50	0.07	0.05	jj
		I-Al-I	110.71	-16.71	2.40
		Al-Al	2.77	0.21	0.11
		Al-N	1.94	0.05	0.00
SiI4	Silicon tetraiodide	SiI	2.43	-0.05	-0.04	a
Si6C14H38I4	SiI2CSi (QUJSET)	Si-I	2.47	-0.10	0.03	jj
		I-Si-I	105.78	4.55	-2.08
		Si-C	1.87	0.05	0.00
		C-Si-I	109.39	-1.45	1.01
Al4C4H12S6I4	AlS3I (FAMLEK)	Al-S	2.30	0.10	-0.02	jj
		Al-Al	3.75	0.07	0.03
		S-Al-Al	87.22	0.30	0.13
		Al-I	2.50	0.00	0.03
Cr2C20H30I4	Cr(III)2(Cp)2I4(0) (KELTAW)	Cr-I	2.67	0.36	0.00	jj
		Cr-I(br)	2.71	0.36	-0.04
		I-Cr-I	95.36	-18.20	4.33
		Cr-C	2.24	0.06	0.01
NiI4	Nickel(II) tetraiodide D4h	Ni-I	2.66	0.01	0.03	m
CuI4	Copper(II) tetraiodide	Cu-I	2.71	-0.08	2.06	m
		I-Cu-I	101.01	8.06	-76.39
Cu2I4	Cu(I)2I4(2-) (BIYMIF)	Cu-Cu	2.72	0.57	-0.06	jj
		Cu-I(br)	2.56	0.09	0.20
		I-Cu-Cu	58.61	-6.99	2.70
		Cu-I(t)	2.52	0.12	0.17
		I-Cu-Cu	125.80	1.98	-7.74
ZnI4	Zn(II)I4(2-) (BZDAZP)	Zn-I	2.60	0.14	0.25	jj
Ga2C6H14S2I4	Ga(III)2I4S2 (DIGZAU)	Ga-Ga	3.14	0.15	0.30	jj
		Ga-I	2.48	0.04	0.02
		I-Ga-Ga	104.23	5.75	8.53
		Ga-S	2.33	0.04	0.02
Ga4C4H12S6I4	Ga(III)4I4S6 (CIFMOT)	Ga-I	2.54	-0.02	-0.05	jj
		Ga-S	2.31	0.04	0.01
		S-Ga-I	108.07	-0.84	1.67
		Ga-Ga	3.80	0.05	0.06
GeI4	GeI4 (JEDXEV)	Ge-I	2.51	-0.12	-0.01	jj
GeI4	Germanium tetraiodide	Ge-I	2.50	-0.12	0.00	ppp
Ge2C4H4I4	Ge2C4I4 (IGECHD10)	Ge-I	2.49	-0.15	0.02	jj
		I-Ge-I	108.50	4.63	3.42
		Ge-Ge	3.46	-0.05	0.03
		Ge-C	1.95	-0.02	-0.03
NbI4	Niobium(V) tetraiodide, cation	Nb-I	2.62	-0.01	-0.02	m
RhI4	Rhodium(V) tetraiodide	Rh-I	2.53	0.08	-0.11	m
PdI4	Palladium(II) tetraiodide	Pd-I	2.76	0.03	-0.01	m
CdI4	Cd(II)I4(2-) (HIBRUF)	Cd-I	2.75	0.10	0.47	jj
InI4	In(III)I4(-) (AHOMIT)	In-I	2.71	0.03	-0.02	jj
SbI4	Sb(III)I4(-) (PICOIA)	Sb-I	2.79	0.03	0.03	jj
		Sb-I	3.04	-0.09	-0.05
		I-Sb-I	89.00	-0.69	-0.80
Sb2I4	Sb2I4	Sb-Sb	2.97	-0.04	-0.01	m
		Sb-I	2.78	-0.04	0.00
TeI4	Te(II)I4(2-) (DAMFIG)	Te-I	2.98	0.00	0.26	jj
C6H5TeI4	Te(IV)CI4(-) (IJOJAS)	Te-I	2.95	-0.04	0.19	jj
		I-Te-I	87.79	1.28	2.71
		Te-C	2.17	-0.02	-0.05
VI5	vanadium(V) pentaiodide	V-I(eq)	2.59	-0.06	0.01	m
		V-I(ax)	2.59	0.18	0.00
ScI6	Scandium(III) hexaiodide	Sc-I	2.93	0.04	0.04	hhhhh
TiI6	Titanium(IV) hexaiodide	Ti-I	2.87	0.03	-0.05	hhhhh
VI6	Vanadium(V) hexaiodide	V-I	2.77	-0.03	-0.10	hhhhh
FeI6	Fe(III)I6 d5	Fe-I	2.95	-0.21	-0.13	m
CoI6	Co(III)I6 d6	Co-I	2.80	-0.10	7.38	m
YI6	Yttrium(III) hexaiodide	Y-I	3.16	-0.02	0.02	m
ZrI6	Zirconium hexaiodide, dianion	Zr-I	2.95	0.00	-0.02	b
NbI6	Niobium(V) hexaiodide, anion	Nb-I	2.82	-0.06	-0.07	m
In2I6	Indium triiodide, dimer	In-In	4.05	0.01	-0.10	m
		In-I	2.92	-0.08	-0.14
		In-I	2.72	-0.02	-0.08
SbI6	SbI6(-)	Sb-I	2.90	-0.03	-0.02	m
TeI6	Te(IV)I6(2-) (CEMFEF10)	Te-I	2.93	0.01	0.26	jj
TiAl2C6H6I8	Ti(IV)I4Cp (JOHJOF)	Ti-I	2.95	0.10	-0.09	jj
		Ti-Al	3.86	0.19	-0.06
		I-Ti-Al	118.38	-1.05	2.76
		Ti-C	2.53	-0.08	0.02
TiAl2C9H12I8	Ti(II)I4(Ar) (TEFCEM)	Ti-I	3.02	0.01	-0.16	jj
		Ti-C	2.50	-0.06	0.06
		C-Ti-I	132.13	-6.93	-5.67
		Ti-Al	2.55	0.11	0.12
		Al-Ti-I	89.48	2.32	-1.91
Te2I10	Te(IV)I6(2-) (IZOWAV)	Te-Te	4.60	-0.08	3.39	jj
		Te-I	3.15	0.04	3.88
		I-Te-Te	43.18	1.76	-21.46
		Te-I	2.80	-0.01	0.26
LiXe	Xenon Lithium, cation	Xe-Li	2.91	0.00	0.00	m
O4Xe	Xenon tetroxide	Xe-O	1.84	0.00	0.00	m
FXe	Xenon fluoride, anion	Xe-F	2.86	-0.83	-0.95	m
NaXe	Xenon sodium, cation	Xe-Na	3.23	1.15	0.03	m
ClXe	Xenon chloride, anion	Xe-Cl	3.90	-0.17	-1.10	m
KXe	Xenon potassium, cation	Xe-K	3.80	-1.12	0.01	m
BrXe	Xenon bromide, anion	Xe-Br	4.10	0.27	-1.20	m
IXe	Xenon iodide, anion	Xe-I	4.46	-0.21	-1.67	m
CsCH3	Methyl cesium	Cs-C	2.96	-0.25	-0.08	m
CsC5H5	Cesium cyclopentadienide	Cs-C	3.06	0.11	0.24	m
CsHO	Cesium hydroxide	Cs-O	2.39	-0.11	0.20	a
		O-H	0.96	-0.09	-0.12
CsBO2	Cs-OBO	Cs-O	2.71	-0.36	-0.01	g
CsC26H24O2	Cs(I)(C6)2O2(+) (WIVRAU)	Cs-O	3.25	0.91	0.13	jj
		O-Cs-O	79.88	26.86	40.21
		Cs-C	3.42	-0.26	-0.11
CsNO2	Cesium nitrite	O-N-O	56.52	0.55	1.58	g
CsNO3	Cesium nitrate	Cs-O	2.80	0.00	0.07	g
		O-Cs-O	45.00	-0.11	-0.80
		Cs-N	3.24	0.02	0.09
		N-O	1.25	-0.04	-0.03
CsH8O4	Cs(+)(H2O)4	Cs-O	3.06	0.24	0.00	m
CsC12H24O6	Cs(I)O6(+) (CSTHXD)	Cs-O	3.04	0.08	0.32	jj
CsC17H29O6	Cs(I)(Cp)O6 (QEXTOC)	Cs-C	3.30	-0.10	0.10	jj
		Cs-O	3.26	-0.05	0.66
CsC18N2H36O6	Cs(I)O6N2(+) (CSCRYP10)	Cs-N	3.02	0.08	0.34	jj
		Cs-O	2.96	0.26	0.33
		O-Cs-N	61.17	-1.34	-2.08
CsC24H48O12	Cs(0)O8 (DUBCIM)	Cs-O	3.45	0.03	0.00	jj
CsF	Cesium fluoride	Cs-F	2.35	-0.17	0.21	a
CsH6O3F	Cs(+)(H2O)3.F	Cs-O	2.86	0.50	0.11	m
		Cs-F	2.56	0.24	-0.11
CsPO3	Cesium metaphosphate	Cs-O	2.83	-0.37	-0.20	g
		P-O	1.47	0.02	0.03
CsC16N2H24S2O5	Cs(I)O5S2(+) (RILGUO)	Cs-S	3.94	-0.02	0.05	jj
		Cs-O	3.56	-0.01	-0.06
CsCl	Cesium chloride	Cs-Cl	2.91	0.00	0.15	a
CsH6ClO3	Cs(+)(H2O)3.Cl	Cs-O	2.90	0.29	0.08	m
		Cs-Cl	3.10	0.03	-0.22
CsBr	Cesium bromide	CsBr	3.07	0.10	0.03	BB
CsH6BrO3	Cs(+)(H2O)3.Br	Cs-O	2.92	0.35	0.06	m
		Cs-Br	3.25	0.02	-0.10
CsI	Cesium iodide	Cs-I	3.31	0.08	-0.29	BB
CsH6IO3	Cs(+)(H2O)3.I	Cs-O	2.98	0.35	0.02	m
		Cs-I	3.52	0.39	-0.15
Cs2	Cesium, dimer	Cs-Cs	4.65	-1.06	0.91	a
Cs2C12H10O2	Cs2O2 (ELOKOF)a	Cs-Cs	4.30	0.47	-0.19	jj
		Cs-O	2.95	-0.15	0.10
		O-Cs-Cs	43.13	13.89	4.41
Cs2F2	Cesium fluoride, dimer	Cs-F	2.64	-0.15	0.04	m
		F-Cs-F	90.75	-18.13	-12.09
Cs2SO4	Cs2SO4	Cs-S	3.31	0.13	0.15	g
		Cs-O	2.80	-0.04	0.02
		S-O	1.47	0.05	0.05
Cs2C16H14S4	Cs2S4 (JUPQIU)	Cs-Cs	4.59	0.88	2.19	jj
		Cs-S	3.58	-0.29	1.21
		S-Cs-Cs	50.33	-13.91	88.33
Cs2Cl2	Cesium chloride, dimer	Cs-Cl	3.05	0.15	0.17	m
		Cl-Cs-Cl	103.00	-14.08	-9.47
Cs2Br2	Cesium bromide, dimer	Cs-Br	3.24	0.10	0.09	m
		Br-Cs-Br	92.99	-3.28	3.42
Cs2I2	Cesium iodide, dimer	Cs-I	3.39	0.36	0.10	m
		I-Cs-I	93.23	-9.04	7.20
Cs2C24H48I2O12	Cs(I)O6I2 (XIDBUH)	Cs-Cs	6.35	-0.81	-1.68	jj
		Cs-I	3.89	0.13	-0.09
		I-Cs-Cs	40.03	6.02	11.76
		Cs-O	3.06	0.72	0.37
Cs2C24H48I2O12	CsO6I2 (NELMEW)	Cs-Cs	5.75	-1.14	-0.98	jj
		Cs-O	3.18	0.33	1.38
		Cs-I	3.89	0.01	-0.17
		I-Cs-Cs	42.47	12.90	9.52
Cs4C16H36O4	Cs(I)O3 (QQQAWS01)	Cs-Cs	4.17	0.27	0.20	jj
		Cs-O	2.92	-0.19	0.19
		O-Cs-Cs	44.53	-7.62	-1.85
BaC8N8H32	Ba(II)N6(2+) (BINDAD10)	Ba-N	2.80	0.14	-0.19	jj
		N-Ba-N	63.55	-1.00	16.69
BaC8N8H32	Ba(II)N8(2+) (SARNAA)	Ba-N	3.06	0.08	-0.46	jj
		Ba-N	2.87	0.13	-0.16
		N-Ba-N	64.19	5.73	18.38
BaO	Barium oxide	Ba-O	1.94	0.47	0.00	a
BaC34N4H70O4	Ba(II)O4N4 (ZUTGAW)	Ba-O	2.69	0.07	0.02	jj
		O-Ba-O	64.93	-2.13	-4.77
		Ba-N	3.04	0.03	-0.05
BaC12H28O8	Ba(II)O8(2+) (KEFFEG)	Ba-O	2.78	0.05	0.00	jj
		O-Ba-O	68.56	-2.39	-0.16
		Ba-O	2.84	0.07	0.00
BaC20H40O10	Ba(II)O10(2+) (PXCDBA)	Ba-O	2.75	0.31	0.13	jj
BaC12N2H26O13	Ba(II)O11 (JAWZOW)	Ba-O	2.83	0.35	0.93	jj
		Ba-O	2.94	-0.24	-0.27
		O-Ba-O	91.15	14.22	17.54
		Ba-N	3.29	0.36	0.27
BaF	Barium monofluoride	Ba-F	2.15	0.16	0.13	a
BaF2	Barium difluoride	Ba-F	2.32	-0.09	-0.03	a
BaS	Barium sulfide	Ba-S	2.51	0.20	-0.39	a
BaCl2	Barium dichloride	Ba-Cl	2.77	0.00	-0.19	iiii
		Cl-Ba-Cl	127.00	53.27	51.41
BaBr2	Barium dibromide	Ba-Br	2.99	-0.16	-0.09	a
BaI2	Barium diiodide	Ba-I	3.15	-0.14	-0.11	iiii
		I-Ba-I	148.00	31.94	-40.45
LaC3H9	Trimethyl lanthanum	La-C	2.45	-0.07	-0.14	m
		C-La-C	111.96	7.45	8.06
LaN6H18	La(II)(NH3)6	La-N	2.76	-0.71	0.01	m
LaC21H27O2	La(III)(Cp)3O (PEWXUK)	La-O	2.51	-0.10	0.28	jj
		La-C	2.83	0.06	-0.07
		O-La-C	120.08	2.11	-1.43
LaH12O6	Lanthanum(III) hexaquo	La-O	2.52	0.21	0.13	m
LaH12O6	La(II)(H2O)6	La-O	2.62	0.76	0.05	m
LaC15H21O6	La(III)O8 (AQACAL)	La-O	2.48	-0.09	-0.01	jj
		O-La-O	69.00	3.08	-1.37
LaC12H18O12	La(III)O9(3-) (PEWJIK)	La-O	2.61	0.00	0.00	jj
		La-O	2.15	0.00	0.00
LaC8N3H18O14	La(III)O11 (POHDUL)	La-O	2.53	0.00	0.12	jj
		La-O	2.13	0.05	0.05
		O-La-O	68.72	-8.59	-5.50
LaC10N3H20O14	La(III)O11 (CABLAS)	La-O	2.67	-0.56	-0.73	jj
		La-O'	2.70	0.97	0.65
LaF	Lanthanum(I) fluoride	La-F	2.00	0.08	0.08	m
LaOF	Lanthanum(III) oxide fluoride	La-O	1.69	0.08	0.00	m
		La-F	2.19	-0.12	-0.09
		F-La-O	116.69	5.86	-4.05
LaF3	Lanthanum(III) trifluoride	La-F	2.11	-0.08	-0.05	m
		F-La-F	119.37	0.49	0.45
LaF4	Lanthanum(III) tetrafluoride	La-F	2.17	-0.10	-0.05	m
LaF6	Lanthanum(III) hexafluoride	La-F	2.42	-0.17	-0.10	m
LaC13N3H30S8O2	La(III)S6O2 (TEPSOW01)	La-S	2.98	-0.71	0.01	jj
		S-S	2.95	0.07	0.07
		S-S-La	60.65	43.21	-1.13
		La-O	2.49	-0.14	0.24
LaCl	Lanthanum(I) chloride	La-Cl	2.51	0.05	0.02	m
LaClO	Lanthanum(III) oxide chloride	La-O	1.67	0.10	0.02	m
		La-Cl	2.70	-0.14	-0.19
		O-La-Cl	120.92	8.02	1.29
LaC16N2H32Cl2O	La(III)O5N2Cl2(+) (TESQOX)	La-Cl	2.83	-0.38	-0.30	jj
		Cl-La-Cl	79.79	9.40	19.01
		La-O	2.58	0.43	0.47
		La-N	2.77	-0.70	-0.23
LaC6N12H24Cl2O	La(III)O6Cl2(+) (SEZFAE)	La-Cl	2.96	-0.41	-0.18	jj
		Cl-La-Cl	78.35	23.27	26.62
		La-O	2.49	0.04	0.17
LaCl3	Lanthanum(III) trichloride	La-Cl	2.55	-0.11	-0.18	m
		Cl-La-Cl	119.58	0.60	0.16
LaC9H20Cl3O5	La(III)O5Cl3 (WIJGOL)	La-Cl	2.81	-0.35	-0.31	jj
		Cl-La-Cl	121.55	-8.25	-11.08
		La-O	2.56	1.18	1.51
		La-O	2.63	0.51	0.83
LaC10H20Cl3O5	La(III)O5Cl3 (YICCES)	La-Cl	2.75	-0.30	-0.29	jj
		Cl-La-Cl	89.06	22.96	24.58
		La-O	2.68	0.63	0.81
LaCl4	Lanthanum(III) tetrachloride	La-Cl	2.63	-0.14	-0.11	m
LaCl6	Lanthanum(III) hexachloride	La-Cl	2.89	-0.19	0.01	m
LaBr	Lanthanum(I) bromide	La-Br	2.63	-0.27	-0.02	m
LaBr3	Lanthanum(III) tribromide	La-Br	2.69	-0.57	-0.44	m
		Br-La-Br	119.83	0.23	0.08
LaBr4	Lanthanum(III) tetrabromide	La-Br	2.77	-0.57	-0.18	m
LaBr6	Lanthanum(III) hexabromide	La-Br	3.03	-0.57	0.04	m
LaI	Lanthanum(I) iodide	La-I	2.91	-0.05	-0.65	m
LaC16H22IO2	La(III)(Cp)2O2I (WELPAE)	La-I	3.20	-0.52	-0.69	jj
		La-O	2.58	0.20	0.73
		O-La-I	80.75	13.45	5.57
		La-C	2.81	0.25	0.20
LaC16H32I3O4	La(III)O4I3 (RONMEM)	La-I	3.13	-0.39	-0.63	jj
		I-La-I	94.91	11.97	27.71
		La-O	2.52	0.55	1.19
LaI4	Lanthanum(III) tetraiodide	La-I	2.99	-0.24	-0.32	m
LaI6	Lanthanum(III) hexaiodide	La-I	3.25	-0.32	0.03	m
La2	Lanthanum, dimer	La-La	1.86	1.25	-0.09	m
La2Si8C44H84F2	bis((mu-2-Fluorido)-(h5-1,3-bis(	La-F	2.32	-0.16	-0.12	jj
		La-C(Cp)	2.83	0.11	-0.01
La2Cl7	Dilanthanum heptachloride	La-Cl	2.81	-0.07	-0.48	m
LuC13H24	Lu(III)(Cp)C3(-) (CUTGUT)	Lu-C	2.56	0.96	-0.27	jj
		Lu-C	2.40	0.90	-0.11
		C-Lu-C	109.62	-83.96	-0.80
		Lu-C(Cp)	2.70	-0.25	-0.05
LuC16H36	Lu(III)C4(-) (FAZDIT)	Lu-C	2.32	0.06	0.00	jj
LuC17H21	Lu(Cp)(C8) (LAWREG)	Lu-C(Cp)	2.51	0.07	0.01	jj
		Lu-C(C8)	2.46	0.03	0.21
LuC15NH22	Lu(III)(Cp)2CN (PAGGUZ)	Lu-N	2.38	-0.12	0.12	jj
		Lu-C	2.22	0.24	0.06
		C-Lu-N	83.46	-0.52	-2.39
		Lu-C(Cp)	2.58	-0.01	0.03
LuC34N2H30	Lu(III)(Cp)2N2(-) (TABCOO)	Lu-N	2.29	-0.13	0.00	jj
		N-Lu-N	102.37	-12.52	4.83
		Lu-C	2.64	0.13	0.01
LuC27N3H36	Lu(III)C3N3 (CILCUV)	Lu-N	2.59	0.42	-0.02	jj
		Lu-C	2.43	-0.08	-0.12
		C-Lu-N	68.59	-0.62	2.69
LuC40N8H32	Lu(0)N8 (XEPLOT)	Lu-N	2.42	-0.10	-0.02	jj
		N-Lu-N	67.45	2.73	2.38
LuC16H25O	Lu(Cp)2CO (BTHFLU)	Lu-C	2.46	0.11	-0.17	jj
		Lu-O	2.30	-0.11	0.15
		O-Lu-C	93.22	0.59	-3.33
		Lu-C	2.62	-0.09	0.01
LuC19H23O	Lu(III)(Cp)3O (DEYYOV)	Lu-O	2.39	-0.16	0.00	jj
		Lu-C	2.64	-0.04	0.00
		C-Lu-O	117.52	-4.03	0.00
LuC20NH26O	Lu(III)(Cp)2NO (JENNEV)	Lu-O	2.30	-0.05	0.07	jj
		Lu-N	2.29	-0.16	-0.07
		N-Lu-O	101.71	11.28	-15.23
		Lu-C	2.60	0.12	0.03
LuC21NH28O	Lu(C8)CNO (DELSIW)	Lu-O	2.37	-0.20	0.00	jj
		Lu-N	2.48	0.31	0.00
		N-Lu-O	82.65	97.34	0.00
		Lu-C	2.40	0.03	0.00
		Lu-C(Cp)	2.54	0.05	0.00
LuC15H21O6	Lu(III)O6 (LUTMHP)	Lu-O	2.17	-0.05	0.02	jj
		O-Lu-O	74.85	1.23	4.16
LuC33H57O6	Lu(III)O6 (LUTMHP)a	Lu-O	2.17	-0.06	0.00	jj
		O=Lu-O	74.85	2.00	3.73
LuC20N5H18O8	LuN3O6 (BAGBUH)	Lu-O	2.23	-0.10	-0.03	jj
		O-Lu-O	78.23	1.86	4.32
		Lu-N	2.47	-0.04	0.01
LuC32N8H64O8	Lu(III)O8(3+) (QAKXAB)	Lu-O	2.29	-0.14	-0.01	jj
		Lu-O	2.38	-0.20	-0.08
		O-Lu-O	74.28	-1.15	1.47
LuH18O9	Lu(III)(H2O)9(3+) (BUVVUJ)	Lu-O	2.51	-0.20	-0.14	jj
LuC8H12O12	Lu(III)O8(-) (OGEYEE)	Lu-O	2.31	0.09	0.11	jj
		O-Lu-O	140.07	42.85	-3.70
LuC6N6S6	Lu(III)N6(3-) (PUKRUI)	Lu-N	2.30	-0.16	0.04	jj
LuC18N2H28Cl	Lu(Cp)2N2Cl (BIVBIR)a	Lu-Cl	2.53	0.00	0.03	jj
		Lu-C	2.65	-0.02	0.00
		C-Lu-Cl	87.41	0.89	2.33
		Lu-N	2.65	-0.10	-0.05
		N-Lu-Cl	79.62	-4.79	-4.28
LuC14H18ClO	Lu(III)(Cp)2OCl (FATGIQ10)	Lu-Cl	2.50	-0.02	0.02	jj
		Lu-O	2.27	-0.13	0.03
		O-Lu-Cl	91.64	2.07	-10.60
		Lu-C(Cp)	2.60	-0.01	0.01
LuC28H30ClO2	Lu(Cp)2O2Cl (AXOMUV)	Lu-Cl	2.54	-0.03	0.01	jj
		Lu-O	2.41	-0.21	-0.06
		O-Lu-Cl	79.72	-1.90	-2.38
		Lu-C	2.78	-0.34	-0.15
LuC21H18Cl2	Lu(Cp)2Cl2(-) (BISVEE)	Lu-Cl	2.50	-0.01	0.02	jj
		Cl-Lu-Cl	96.46	6.24	11.27
		Lu-C	2.82	-0.18	-0.07
LuC8H20Cl3O4	Lu(III)O4Cl3 (EWIQIK)	Lu-Cl	2.56	-0.05	-0.01	jj
		Cl-Lu-Cl	90.53	-4.42	12.06
		Lu-O	2.35	-0.21	0.00
LuH2Cl5O	Lu(III)Cl5O(2-) (UNETAI)	Lu-Cl	2.58	-0.08	-0.01	jj
		Cl-Lu-Cl	97.99	2.43	-4.15
		Lu-O	2.29	-0.05	0.09
		O-Lu-Cl	174.93	3.71	-16.21
LuC24N2H28Br	Lu(III)(Cp)2BrN2 (HAFWIU)	Lu-Br	2.77	-0.51	0.00	jj
		Lu-N	2.50	0.20	-0.02
		N-Lu-Br	72.10	3.53	-10.76
		Lu-C	2.59	0.02	0.02
LuC28N5H32IO	Lu(III)N5OI(+) (ESECIO)	Lu-O	2.00	0.04	-0.04	jj
		Lu-I	3.07	0.18	-0.02
		Lu-N	2.46	-0.17	0.02
		N-Lu-O	89.40	4.69	0.77
LuC25N5H25I2	Lu(III)N5I2(+) (ESECOU)	Lu-I	2.95	0.27	0.04	jj
		Lu-N	2.51	1.94	-0.06
		N-Lu-I	88.08	77.15	1.95
LuC12H32I2O4	Lu(III)O4I2(+) (ESECEK)	Lu-I	2.90	0.19	0.00	jj
		I-Lu-I	97.38	-11.02	0.00
		Lu-O	2.24	-0.10	0.00
HfC10H10	Dicyclopentadienyl hafnium, dica	Hf-C	2.45	-0.18	-0.26	m
HfC12H16	Hf(IV)(Cp)2(Me)2 (DMCPHF)	Hf-C(CH3)	2.31	-0.12	-0.05	jj
		C-Hf-C	94.86	6.78	-0.85
		Hf-C(Cp)	2.52	-0.06	0.01
HfC8N4H24	Hafnium(IV) tetra(dimethylamine)	Hf-N	2.01	0.06	0.01	m
HfC16N4H40	Hafnium(IV) tetra(diethylamine)	Hf-N	2.03	0.04	0.02	m
HfN6H18	Hf(II)(NH3)6	Hf-N	2.44	-0.07	0.15	m
HfC3H10O	Trimethyl hafnium hydroxide	Hf-C	2.19	-0.03	-0.04	m
		C-Hf-C	108.50	-0.22	-0.88
		Hf-O	1.88	-0.04	-0.04
HfC12H28O4	Hafnium(IV) tetra(isopropoxide)	Hf-O	1.88	0.00	-0.03	m
HfC16H36O4	Hafnium(IV) (O-s-C4H9)4	Hf-O	1.89	0.00	-0.03	m
HfH12O6	Hafnium(IV) hexaquo	Hf-O	2.14	-0.10	0.09	m
HfH12O6	Hf(II)(H2O)6	Hf-O	2.33	-0.12	0.07	m
HfC3H9F	Trimethyl hafnium fluoride	Hf-C	2.17	-0.02	-0.05	m
		C-Hf-C	107.25	1.07	2.48
		Hf-F	1.84	0.01	0.02
HfOF2	Hafnium(IV) oxide difluoride	Hf-F	1.91	-0.05	-0.04	m
		F-Hf-F	129.51	-28.79	-28.45
		Hf-O	1.76	-0.02	-0.07
HfF4	Hafnium(IV) tetrafluoride	Hf-F	1.85	-0.02	0.01	m
HfF6	Hf(IV)F6(2-) (RENPAB01)	Hf-F	1.98	-0.08	-0.04	jj
HfF6	Hafnium(IV) hexafluoride, dianio	Hf-F	2.02	-0.13	-0.09	m
HfC3H9Cl	Trimethyl hafnium chloride	Hf-C	2.16	0.00	-0.03	m
		C-Hf-C	106.66	4.47	-0.67
		Hf-Cl	2.33	-0.20	0.02
HfC10H10Cl2	Hf(IV)(Cp)2Cl2 (KOKPEF)	Hf-Cl	2.43	-0.24	0.03	jj
		Cl-Hf-Cl	96.17	2.18	1.38
		Hf-C	2.45	0.02	0.03
HfCl4	Hafnium(IV) tetrachloride	Hf-Cl	2.20	-0.07	0.13	m
HfC8H16Cl4O2	Hf(IV)O2Cl4 (VEHZAJ)	Hf-Cl	2.36	-0.22	0.01	jj
		Cl-Hf-Cl	93.95	14.48	14.19
		Hf-O	2.20	0.76	0.34
HfCl6	Hf(IV)Cl6(2-) (BARWIB)	Hf-Cl	2.44	-0.18	0.08	jj
HfCl6	Hafnium(IV) hexachloride, dianio	Hf-Cl	2.48	-0.23	0.04	m
HfBr	Hafnium(I) bromide	Hf-Br	2.51	-0.19	-0.14	m
HfC3H9Br	Trimethyl hafnium bromide	Hf-C	2.16	0.00	-0.03	m
		C-Hf-C	107.15	2.61	-3.13
		Hf-Br	2.48	-0.03	-0.08
HfC20H30Br2	Hf(IV)(Cp)2Br2 (VIVMUI)	Hf-Br	2.58	-0.07	0.08	jj
		Br-Hf-Br	93.84	-1.09	0.20
		Hf-C	2.56	-0.07	0.03
HfBr4	Hafnium(IV) tetrabromide	Hf-Br	2.41	0.03	-0.05	m
HfBr6	Hafnium(IV) hexabromide	Hf-Br	2.66	-0.12	0.02	m
HfI	Hafnium(I) iodide	Hf-I	2.75	-0.06	-0.17	m
HfC3H9I	Trimethyl hafnium iodide	Hf-C	2.16	0.00	-0.03	m
		C-Hf-C	104.59	4.90	-2.18
		Hf-I	2.73	0.06	0.08
HfI6	Hafnium(IV) hexaiodide, dianion	Hf-I	2.89	-0.02	0.11	m
TaH3	TaH3	Ta-H	1.75	0.19	0.10	m
TaC5H15	Pentamethyl tantalum(V)	Ta-C	2.19	0.04	-0.01	m
TaC5H15	Ta(V)(Me)5 (DOSCIX)	Ta-C	2.07	0.17	0.08	jj
		Ta-C	2.15	0.07	0.02
		C-Ta-C	111.08	3.95	2.45
TaC10N5H30	Tantalum, pentakis(dimethylamino	Ta-N(ax)	2.00	0.03	0.04	m
		Ta-N(eq)	2.10	-0.05	-0.03
TaN6H18	Ta(II)(NH3)6	Ta-N	2.40	0.00	-0.05	m
TaCH5O3	Methyl tantalum(V) oxide dihydro	Ta-C	2.15	-0.01	-0.02	m
		Ta=O	1.67	0.02	-0.02
		Ta-O	1.91	-0.02	-0.02
TaC9H5O4	Ta(Cp)(CO)4 (GISFIX)	Ta-C	2.08	-0.06	-0.06	jj
		C-Ta-C	74.51	3.87	-4.14
		Ta-C(Cp)	2.36	-0.07	-0.01
TaC5H15O5	Tantalum(V) (OEt)4	Ta-O	1.93	-0.03	-0.03	m
TaC10H25O5	Tantalum(V) (OEt)5	Ta-O	1.92	-0.01	0.00	m
TaC15H35O5	Tantalum(V) (OPr)4	Ta-O	1.91	-0.02	0.00	m
TaC15H35O5	Tantalum(V) (OPr)5	Ta-O	1.91	-0.01	-0.01	m
TaH12O6	Ta(II)(H2O)6	Ta-O	2.30	-0.15	-0.22	m
TaC13H15O7	Ta(CO)4O3 (DUSWIX)	Ta-O	2.14	-0.02	-0.08	jj
		O-Ta-O	80.13	-12.78	-9.53
		Ta-C	2.05	0.03	0.07
TaF	Tantalum(I) fluoride	Ta-F	1.78	0.02	0.03	m
TaF3	Tantalum(III) trifluoride	Ta-F	1.84	-0.04	-0.01	m
TaOF3	Tantalum(V) oxide trifluoride	Ta-O	1.64	0.02	-0.04	m
		Ta-F	1.87	-0.06	0.00
		F-Ta-O	111.98	-13.78	-15.86
TaF4	Tantalum(V) tetrafluoride, catio	Ta-F	1.79	-0.06	-0.01	m
TaF6	Tantalum(V) hexafluoride, anion	Ta-Cl	1.98	-0.07	0.01	m
TaC15N3H30S8	Ta(V)S8 (COKXEF10)	Ta-S	2.56	0.15	0.08	jj
		S-Ta-S	66.99	-3.25	-0.36
		Ta-S	2.45	0.09	0.39
		S-S	2.07	0.09	0.02
TaC12N4H24S8	Ta(V)S8(+) (MTCTAC10)	Ta-S	2.59	0.11	0.02	jj
		S-Ta-S	67.38	-0.86	0.56
		Ta-C	3.11	0.17	-0.01
TaC14N2H20Cl	Ta(IV)C2Cl2N2 (BPYCTA)	Ta-N	2.29	3.06	0.23	jj
		N-Ta-N	68.18	-26.90	-2.20
		Ta-C	2.24	-0.14	-0.13
		Ta-Cl	2.54	0.15	0.21
TaC9H11Cl2	Ta(Cp)C4Cl2 (CIWFOD10)	Ta-Cl	2.42	-0.01	-0.09	jj
		Cl-Ta-Cl	89.50	33.96	25.20
		Ta-C	2.26	0.42	0.38
		Ta-C	2.39	0.18	0.15
TaC10H10Cl2	Ta(Cp)2Cl2 (KOKPIJ)	Ta-Cl	2.45	-0.01	-0.23	jj
		Cl-Ta-Cl	84.75	35.33	16.90
		Ta-C	2.39	0.35	0.20
TaCl3	Tantalum(III) trichloride	Ta-Cl	2.22	0.10	-0.03	m
TaC15N3H15Cl3	Ta(III)N3Cl3 (NAFSAO)	Ta-Cl <	2.42	0.07	0.04	jj
		Cl-Ta-Cl	2.41	0.12	0.00
		Ta-N	92.53	31.74	25.30
TaCl3O	Tantalum(V) oxide trichloride	Ta-O	1.63	0.03	0.00	m
		Ta-Cl	2.28	0.08	-0.01
		Cl-Ta-O	109.31	-11.36	-10.06
TaC14H14S3Cl3	Ta(V)S3Cl3 (CIFMAF)	Ta-S	2.71	0.32	0.08	jj
		Ta-S	2.84	0.23	0.27
		S-Ta-S	77.51	-3.79	9.67
		Ta-S	2.20	0.04	0.01
		Ta-Cl	2.32	0.07	0.00
TaCl4	Tantalum(V) tetrachloride, catio	Ta-Cl	2.17	0.07	-0.10	m
TaC10N2H10Cl4	Ta(IV)Cl4N2 (LATVUX)	Ta-Cl	2.37	0.02	-0.01	jj
		Ta-N	2.22	0.16	0.22
		N-Ta-Cl	90.39	-17.08	-14.10
TaCl5	Tantalum pentachloride	Ta-Cl	2.30	0.02	0.00	ppp
TaCl6	Ta(V)Cl6(-) (EMUCOE)	Ta-Cl	2.34	0.00	-0.05	jj
TaBr3	Tantalum(III) tribromide	Ta-Br	2.39	0.14	-0.08	m
TaBr3O	Tantalum(V) oxide tribromide	Ta-O	1.63	0.04	0.03	m
		Ta-Br	2.42	0.16	-0.08
		O-Ta-Br	107.97	-11.91	-4.48
TaBr4	Tantalum(V) tetrabromide, cation	Ta-Br	2.35	0.11	-0.15	m
TaI3	Tantalum(III) triiodide	Ta-I	2.61	0.08	0.05	m
TaI3O	Tantalum(V) oxide triiodide	Ta-O	1.63	0.05	0.01	m
		Ta-I	2.64	0.12	0.05
		I-Ta-O	109.66	-13.04	-7.52
TaI4	Tantalum(V) tetraiodide, cation	Ta-I	2.56	0.07	0.01	m
WC12H12	Dibenzene tungsten	W-C	2.33	0.35	0.21	m
WC12H14	Bicyclopentadienyl ethylene tung	W-C	2.27	-0.17	-0.08	m
		W-C	2.35	0.49	0.03
WC17H16	W(Cp)2C (BATKIQ)	W-C	2.05	-0.16	-0.05	jj
		C-C	1.44	0.01	0.03
		C-C-W	133.12	-7.94	-3.97
		W-C(Cp)	2.31	0.24	0.30
WN6H18	W(II)(NH3)6	W-N	2.37	-0.01	0.00	m
WC2H6O2	Dimethyl tungsten(VI) dioxide	W-C	2.12	-0.11	0.02	m
		W=O	1.76	0.03	0.00
		C-W=O	110.34	-2.54	-4.14
WH12O6	W(II)(H2O)6	W-O	2.38	-0.47	-0.47	m
		W-O'	2.26	-0.06	-0.07
WC6O6	Tungsten hexacarbonyl	W-C	2.08	0.00	0.00	m
WF	Tungsten(I) fluoride	W-F	1.96	0.05	-0.21	m
WO2F2	Tungsten(VI) difluoride dioxide	W-F	1.93	-0.07	-0.10	m
		W=O	1.74	-0.01	0.00
WF5	Tungsten(V) pentafluoride	W-F(ax)	1.88	-0.07	-0.06	m
		W-F(eq)	1.94	-0.16	-0.10
		F(ax)-W-F(Eq	110.18	-12.52	-9.54
WF6	Tungsten hexafluoride	W-F	1.83	0.00	0.00	ppp
WC8PH9O5	WC5P (BEFBOD)	W-P	2.52	0.02	0.01	jj
		W-C	2.01	0.09	0.07
		W-C	2.00	0.09	0.09
WSF3	Tungsten(VI) sulfide trifluoride	W-S	2.12	-0.18	-0.07	m
		W-F	1.94	-0.04	-0.10
		S-W-F	121.59	3.69	-20.59
WC2NH3SF4	WF4SN (CAGBER)	W-S	2.03	0.00	-0.01	jj
		W-F	1.83	0.09	0.06
		S-W-F	102.04	4.30	1.07
		W-N	2.25	0.09	0.20
WC8H5ClO3	W(Cp)C3Cl (BACFAM)	W-Cl	2.49	0.56	0.08	jj
		W-C	2.00	0.15	0.10
		C-W-Cl	77.85	-25.62	44.69
		W-C(Cp)	2.30	0.60	0.76
WC10H10Cl2	W(Cp)2Cl2(+) (JUTPET)	W-Cl	2.37	0.04	-0.01	jj
		Cl-W-Cl	87.07	-4.98	12.33
		W-C	2.35	0.64	0.12
WCl2O2	Tungsten(VI) dichloride dioxide	W-Cl	2.29	0.00	0.00	m
		W=O	1.75	0.00	0.00
WCl4O	Tungsten(VI) oxide tetrachloride	W-O	1.72	0.03	0.01	m
		W-Cl	2.33	-0.01	0.03
		O-W-Cl	104.28	2.23	1.15
WCl6	Tungsten(VI) hexachloride	W-Cl	2.37	-0.04	0.00	m
WBr	Tungsten(I) bromide	W-Br	2.46	-0.06	-0.25	m
WC6H3BrO4	WC6 (BMCBCW)	W-Br	2.65	0.03	0.17	jj
		W-C	2.14	-0.03	-0.04
		W-C	1.82	0.15	0.02
WBr2O2	Tungsten(VI) dibromide dioxide	W-Br	2.42	0.00	-0.08	m
		W=O	1.75	0.00	0.01
WI	Tungsten(I) iodide	W-I	2.65	0.16	-0.10	m
WI2O2	Tungsten(VI) diiodide dioxide	W-I	2.64	0.12	0.06	m
		W=O	1.75	-0.01	0.00
WC7PH9I2O4	WC3I2P (BOGBII)	W-I	2.85	0.16	0.12	jj
		I-W-I	86.50	-5.29	0.50
		W-P	2.56	-0.05	-0.03
		W-C	2.06	0.02	0.04
WI6	Tungsten(VI) hexaiodide	W-I	2.74	0.01	0.00	m
W2C10O10	W2(CO)10 dianion	W-W	3.44	-0.63	-1.27	m
		W-C(eq)	2.06	0.03	0.10
		W-W-C	83.95	5.37	6.64
W2C6H20Cl4O6	W(IV)2Cl4O6 (BAKFAU)	W-W	2.48	0.04	-0.10	jj
		W-O(Br)	2.03	0.08	0.09
		W-O	2.04	-0.11	-0.15
		W-Cl	2.39	0.18	0.26
W4F18	WF6(2-) (JUTPET)	W-F(Br)	1.89	0.26	0.10	jj
		W-F(t)	1.89	0.06	0.05
		W-W	4.07	-0.80	1.36
ReH3	ReH3	Re-H	1.65	1.76	0.36	m
ReC10H10	Re(III)(Cp)2(+) (DAXJIV)	Re-C	2.27	-0.10	-0.07	jj
ReC11H11	Re(C5H5)(C6H6)	Re-C(C6)	2.21	0.06	0.04	m
		Re-C(C5)	2.27	0.02	-0.01
ReN6H18	Re(II)(NH3)6	Re-N	2.27	-0.04	-0.05	m
ReC4H12O	Re(VI)(Me)4O (MOTVIA)	Re-O	1.68	0.01	-0.01	jj
		Re-C	2.11	-0.07	-0.01
		O-Re-C	112.53	0.13	-3.58
ReC18H22O2	Re(VI)C2O2 (FOHYEG)	Re-O	1.69	0.01	0.00	jj
		O-Re-O	121.48	-4.12	-6.35
		Re-C	2.06	-0.11	-0.03
ReC4N4H16O2	Re(V)N4O2(+) (DXENRD)	Re-O	1.80	-0.09	-0.07	jj
		Re-N	2.12	0.12	0.09
		N-Re-O	90.29	0.35	0.17
ReC10N4H12O2	ReN4(CO)2(+) (CASMAK)	Re-C	1.88	0.02	0.07	jj
		C-Re-C	89.49	-6.74	-3.34
		C-O	1.15	0.01	0.01
		Re-N	2.07	0.03	-0.04
ReCH3O3	Methyl rhenium(VII) trioxide	Re=O	1.69	0.00	0.00	jj
		Re-C	2.10	-0.13	-0.07
ReC8H5O3	Re(C5H5)(CO)3	Re-C(C5H5)	2.32	-0.06	0.04	m
ReC8H5O3	Re(Cp)(CO)3 (COCPRE)	Re-C	1.90	-0.01	0.07	jj
		C-Re-C	89.37	-10.19	-4.85
		Re-C(Cp)	2.29	0.11	-0.01
ReC12H12O3	ReC6(CO)3(+) (CIZNUU)	Re-C	1.88	0.06	0.12	jj
		C-O	1.15	0.00	0.00
		C-Re-C	89.91	-14.90	-5.23
		Re-C	2.33	0.12	-0.04
ReO4	Re(VII)O4(-) (AMOGOY)	Re-O	1.72	0.00	0.02	jj
ReC5O5	Rhenium pentacarbonyl, anion	Re-C(eq)	1.97	-0.03	-0.07	m
		Re-C(ax)	1.93	0.02	-0.05
ReC12H8O5	Re(V)O5(-) (HEFYAS)	Re-O	1.67	0.04	0.03	jj
		Re-O	1.96	0.07	0.07
		O-Re-O	111.03	4.91	2.87
ReH12O6	Re(IV)(H2O)6 d3	Re-O	2.09	0.05	0.04	m
ReH12O6	Re(II)(H2O)6 d5	Re-O	2.45	0.11	-0.15	m
ReH12O6	Re(II)(H2O)6	Re-O	2.19	-0.22	-0.05	m
ReC6O6	Re(CO)6(+) (FUZJOZ)	Re-C	1.98	-0.03	0.00	jj
ReC6O6	Rhenium hexacarbonyl, cation	Re-C	2.03	-0.08	-0.05	m
ReF	Rhenium(I) fluoride	Re-F	1.87	-0.16	-0.12	m
ReC2H6F	Dimethyl rhenium fluoride	Re-C	2.04	0.04	-0.01	m
		Re-F	1.91	-0.03	-0.12
		C-Re-F	130.49	-4.47	-0.44
ReC5O5F	Re(CO)5F	Re-C	2.01	-0.03	-0.06	m
		Re-C(ax)	1.95	-0.04	-0.03
		Re-F	2.07	-0.11	-0.03
		F-Re-C	87.81	2.32	-0.83
ReC18N3H15S3	Re(VI)S3N3 (KEKMAO)	Re-N	2.33	0.08	-0.24	jj
		Re-S	2.00	-0.03	0.07
		N-Re-S	79.38	1.11	2.37
ReC6H12S3O3	Re(VII)S3O3(+) (JEMMET)	Re-S	2.56	0.08	-0.26	jj
		S-Re-S	79.90	-2.95	3.19
		Re-O	1.69	0.00	0.02
ReCl	Rhenium(I) chloride	Re-Cl	2.19	-0.12	-0.09	m
ReC2H6Cl	Dimethyl rhenium chloride	Re-C	2.05	0.02	0.00	m
		Re-Cl	2.26	-0.08	-0.23
		C-Re-Cl	130.45	-2.03	2.23
ReC10H10Cl	Re(III)(Cp)2Cl (JIPVAF)	Re-Cl	2.44	-0.09	-0.17	jj
		Re-C	2.29	-0.05	0.06
ReC12N2H8ClO3	Re(VII)N2O3Cl (FOJNEX)	Re-Cl	2.49	-0.10	-0.08	jj
		Re-O	1.76	-0.05	-0.03
		O-Re-Cl	157.37	-10.39	-11.06
		Re-N	2.27	-0.01	0.02
ReC5ClO5	Re(CO)5Cl (FOHCAG)	Re-Cl	2.51	-0.08	-0.11	jj
		Re-C	2.03	-0.02	-0.06
		C-Re-Cl	89.05	79.92	-4.89
ReC12P4H32Cl2	Re(III)P4Cl2(+) (DAKJII)	Re-Cl	2.34	-0.10	0.15	jj
		Re-P	2.44	0.01	0.01
		P-Re-Cl	89.26	-4.06	-0.06
ReCl3	Rhenium(III) trichloride	Re-Cl	2.20	-0.03	-0.18	m
		Re-Cl'	2.25	-0.02	-0.06
		Cl-Re-Cl'	118.56	11.32	12.67
ReH2Cl4O2	Re(V)O2Cl4(-) (FOAMDS10)	Re-O	1.66	0.02	0.01	jj
		Re-Cl	2.37	0.01	0.02
		Cl-Re-O	96.40	11.95	9.82
		Re-O	2.20	0.29	0.14
ReC4H10Cl4O2	Re(IV)O2Cl4 (JOXLEN)	Re-Cl	2.32	0.02	0.02	jj
		Cl-Re-Cl	91.97	-8.59	-0.83
		Re-O	2.13	0.24	0.13
ReC2NH3Cl5	Re(IV)Cl5C(-) (BACMIR)	Re-Cl	2.33	0.03	0.08	jj
		Re-C	2.14	-0.11	-0.09
		C-Re-Cl	86.04	-5.04	-5.01
ReC5NH5Cl5	Re(IV)NCl5(-) (AKINUD)	Re-Cl	2.35	0.02	0.03	jj
		Cl-Re-Cl	90.01	0.95	-9.31
		Re-N	2.17	0.07	-0.11
ReCl6	Re(IV)Cl6(2-) (AYOLUV)	Re-Cl	2.35	0.01	0.07	jj
ReBr	Rhenium(I) bromide	Re-Br	2.34	-0.20	-0.06	m
ReC2H6Br	Dimethyl rhenium bromide	Re-C	2.05	0.02	0.00	m
		Re-Br	2.40	-0.13	-0.28
		C-Re-Br	132.07	-4.55	1.89
ReBrO	Rhenium(III) oxide bromide	Re-O	1.70	-0.03	-0.04	m
		Re-Br	2.35	0.07	-0.20
		O-Re-Br	131.83	-34.76	47.63
ReC7N2H14BrO3	Re(I)(CO)3)N2Br (BATYAW)	Re-Br	2.65	-0.05	-0.09	jj
		Re-C	1.85	0.04	0.04
		Re-N	2.27	0.08	-0.07
ReC5BrO5	Re(CO)5Br (FOWTOA)	Re-Br	2.62	0.02	-0.07	jj
		Re-C	1.96	0.02	0.02
		C-Re-Br	92.00	22.25	-11.02
ReC5BrO5	Re(CO)5Br	Re-C	2.01	-0.01	-0.03	m
		Re-C(ax)	1.94	0.06	-0.01
		Re-Br	2.66	-0.09	-0.08
		C-Re-Br	86.63	-6.71	0.31
ReC10H10Br2	Re(V)(Cp)2Br2(+) (CPBRRE)	Re-Br	2.56	-0.14	-0.08	jj
		Br-Re-Br	81.94	29.91	3.35
		Re-C	2.21	0.12	0.16
ReBr3	Rhenium(III) tribromide	Re-Br	2.38	0.02	-0.04	m
ReC10N2H8Br3O	Re(V)Br3N2O (BAWSAU)	Re-Br	2.49	-0.01	0.01	jj
		Br-Re-Br	88.69	3.70	9.38
		Re-O	1.69	0.00	-0.02
		Re-N	2.26	0.04	-0.01
ReC10N2H8Br4	Re(IV)Br4N2 (BAWSEY)	Re-Br	2.42	0.01	-0.01	jj
		Br-Re-Br	92.63	6.53	6.77
		Re-N	2.12	0.08	-0.03
ReBr6	Re(V)Br6(-) (COJYAB)	Re-Br	2.50	-0.05	-0.01	jj
ReBr6	Re(IV)Br6(2-) (AYOMAC)	Re-Br	2.48	0.00	0.07	jj
ReI	Rhenium(I) iodide	Re-I	2.55	-0.17	0.01	m
ReC2H6I	Dimethyl rhenium iodide	Re-C	2.05	0.01	-0.04	m
		Re-I	2.62	-0.01	-0.07
		C-Re-I	131.15	-14.16	13.39
ReIO	Rhenium(III) oxide iodide	Re-O	1.70	-0.03	-0.04	m
		Re-I	2.56	0.02	-0.12
		O-Re-I	127.61	-26.81	51.49
ReC8H12IO	ReC4OI (CIRPAU)	Re-I	2.69	-0.04	-0.01	jj
		Re-O	1.70	-0.01	-0.02
		O-Re-I	109.46	1.20	-8.02
		Re-C	2.04	-0.07	-0.03
ReC5IO5	Re(CO)5I	Re-C	2.01	0.01	-0.03	m
		Re-C(ax)	1.94	-0.03	0.00
		Re-I	2.86	-0.18	-0.22
		I-Re-C	86.50	-4.71	-0.53
ReC13P4H39I	Re(III)(CH3)P4IC(+) (BUKMUP)	Re-I	2.74	-0.07	-0.10	jj
		Re-P	2.45	0.04	-0.02
		P-Re-I	98.96	-4.11	-5.43
		Re-C	2.15	-0.07	-0.02
ReI3	Rhenium(III) triiodide	Re-I	2.59	-0.02	-0.09	m
Re2	Rhenium, dimer	Re-Re	2.04	0.10	0.06	m
Re2F11	Re(V)2F11(-) (FUZJOZ)	Re-F(br)	2.01	0.07	0.04	jj
		Re-F	1.85	0.04	0.05
Re2Cl6	Re2Cl6	Re-Re	2.19	-0.01	0.28	m
		Re-Cl(br)	2.25	0.03	-0.01
OsC10H10	Osmocene	Os-C	2.19	-0.07	-0.01	m
OsN6H18	Os(II)(NH3)6	Os-N	2.22	-0.35	0.44	m
OsC6N6H24	Osmium(II) tris(ethylenediamine)	Os-N	2.21	-0.14	-0.05	m
OsN5H17O	[Os(NH3)5H2O]++	Os-O	2.30	1.46	0.02	m
OsC6N5H20O	OsN5O(2+) (BEFDAS)	Os-O	2.04	-0.09	-0.07	jj
		Os-N	2.13	-0.04	0.06
		O-Os-N	86.33	2.47	-11.30
OsCH5O2	Methyl osmium(III) dihydroxide	Os-O	1.90	-0.03	-0.05	m
		Os-C	1.94	-0.14	-0.04
OsC6H4O4	Os(CO)4(C2H4)	Os-C	2.25	-0.23	-0.12	m
		Os-C	1.94	-0.07	-0.03
OsC5O5	Osmium pentacarbonyl	Os-C(ax)	1.97	-0.08	0.06	m
		Os-C(eq)	1.95	-0.07	-0.04
OsH12O6	Os(III)(H2O)6 d5	Os-O	2.29	-0.04	-0.13	m
OsH12O6	Os(II)(H2O)6	Os-O	2.20	-0.06	-0.01	m
OsC10H18O6	Osmium di-acetylacetonate dihydr	Os-O	2.11	0.12	0.15	m
		Os-O(H2O)	2.21	0.08	0.01
OsC4N2H8O6	OsO4N2 (BABWAC)	Os-O	1.73	0.00	0.00	jj
		Os-O	2.04	-0.06	0.00
		O-Os-O	89.99	-0.23	-2.37
		Os-N	2.11	-0.06	0.04
OsOF2	Osmium(IV) oxide difluoride	Os-O	1.67	-0.02	-0.01	m
		Os-F	1.88	-0.03	0.00
		O-Os-F	128.46	16.96	-42.42
OsF3	Osmium(III) trifluoride	Os-F	1.91	-0.06	-0.09	m
		Os-F'	1.90	-0.02	-0.07
		F-Os-F'	99.74	10.75	-8.60
OsF6	Os(III)F6 d5	Os-F	2.27	-0.16	0.01	m
OsC10PH15O4	Os(CO)4(PEt3)	Os-P	2.39	-0.01	-0.02	m
		Os-C	1.95	-0.09	-0.05
		P-Os-C	97.08	-7.49	-8.14
OsC11P2NH23O	Os(Cp)NP2(2+) (BELNOV)	Os-P	2.36	0.01	0.02	jj
		P-Os-P	94.72	7.92	2.81
		Os-C	2.26	1.41	0.04
		Os-N	1.75	0.02	0.02
		Os-C	2.23	-0.37	-0.01
OsC17NH14Cl	Os(C6H6)CNCl (BEDYUF)	Os-Cl	2.43	0.25	0.08	jj
		Os-N	2.09	-0.07	-0.28
		N-Os-Cl	86.53	-13.19	7.81
		Os-C	2.07	-0.15	-0.05
		Os-C	2.19	-0.12	0.32
OsN5H15Cl	[Os(NH3)5Cl]++	Os-N	2.21	-0.13	-0.02	m
		Os-Cl	2.25	-0.17	-0.21
OsCl2O	Osmium(IV) oxide dichloride	Os-O	1.67	0.01	-0.01	m
		Os-Cl	2.21	0.07	-0.01
		O-Os-Cl	124.36	30.76	18.00
OsCl6	Os(III)Cl6 d5	Os-Cl	2.73	-0.17	-0.02	m
OsBr2O	Osmium(IV) oxide dibromide	Os-O	1.67	0.01	0.00	m
		Os-Br	2.35	0.08	0.02
		O-Os-Br	124.83	-1.52	-16.28
OsC4Sb2O4F12	Os(CO)4F2 (BEDKEB)	Os-C	1.91	-0.05	-	jj
		Os-C	1.99	-0.06	-
		C-Os-C	90.85	2.07	-
		Os-F	2.09	1.28	-
		Os-O	3.03	-0.03	-
OsC6H5IO3	Os(CO)3(C3H5)I	Os-C	2.25	-0.14	-0.05	m
		Os-I	2.81	0.22	-0.10
		Os-C'	1.96	-0.04	0.11
OsI2O	Osmium(IV) oxide diiodide	Os-O	1.67	0.01	0.00	m
		Os-I	2.55	0.13	0.04
		O-Os-I	122.59	6.84	7.08
OsC4I2O4	Os(CO)4I2	Os-C	1.98	-0.09	0.07	m
		Os-I	2.80	0.15	-0.11
Os2C14H8O6	Os2(C8H8)(CO)6	Os-C(C=O)	1.93	0.01	0.06	m
		Os-C(C8H8)	2.23	0.69	0.44
IrN6H18	Ir(II)(NH3)6	Ir-N	2.18	-0.03	-0.04	m
		Ir-N'	2.42	-0.26	-0.23
IrC6N6	Iridium(III) hexacyanide	Ir-C	2.08	-0.11	-0.25	m
IrC12H15O2	Ir(Cp)(CO)2 (WAMWEM)	Ir-C	1.84	-0.06	-0.30	jj
		C-Ir-C	89.00	36.85	5.16
		Ir-C(Cp)	2.24	4.08	1.28
IrC4O4	Iridium tetracarbonyl, anion	Ir-C	1.92	-0.26	0.23	m
IrC5O5	Ir(CO)5 cation	Ir-C	1.99	2.06	-0.47	m
		Ir-C'	2.04	-0.18	-0.52
IrC5O5	Iridium pentacarbonyl, cation	Ir-C(eq)	1.99	-0.13	-0.47	m
		Ir-C(ax)	2.04	1.86	-0.55
		C(eq)-Ir-C(a	102.43	27.91	0.24
IrH12O6	Iridium(III) hexaquo	Ir-O	2.13	0.05	0.13	m
IrH12O6	Ir(II)(H2O)6	Ir-O	2.17	-0.01	-0.03	m
		Ir-O'	2.59	-0.09	-0.45
IrC6O6	Ir(CO)6(3+) (XOLYIG)	Ir-C	2.04	-0.05	-0.43	jj
IrC15H21O6	Ir(III)O6 (QQQCXJ01)	Ir-O	2.02	0.08	0.10	jj
		O-Ir-O	93.60	-7.12	0.65
IrC6O12	Ir(III)(ox)3	Ir-O	2.14	-0.01	-0.02	m
IrOF	Iridium(III) oxide fluoride	Ir-O	1.73	-0.03	0.02	m
		Ir-F	1.90	-0.13	-0.24
IrF6	Iridium hexafluoride	Ir-F	1.83	0.00	0.01	ppp
IrF6	Ir(III)F6 d6	Ir-F	2.16	0.02	-0.15	m
IrC11H5F6	Ir(C6F6)(Cp) (PADLUB)	Ir-C	2.10	0.04	0.93	jj
		Ir-C	2.18	1.22	-0.01
		Ir-C(Cp)	2.34	0.14	0.09
IrC13H9F6	Ir(C6F6)(C2H4)(Cp) (PADLOV)	Ir-C	2.11	3.37	-0.25	jj
		C-C	1.41	-0.08	0.03
		Ir-C	2.07	0.06	-0.08
		Ir-C(Cp)	2.24	-0.03	-0.22
IrC15N3H30S6	Ir(III)S6 (EDTCIR)	Ir-S	2.37	0.01	0.03	jj
		S-Ir-S	73.12	0.20	-0.69
IrCl	Iridium(I) chloride	Ir-Cl	2.26	-0.18	-0.03	m
IrC8H12Cl	IrC8Cl (CBUTIR)	Ir-Cl	2.42	-0.14	-0.10	jj
		Ir-C	2.15	0.05	-0.15
		C-Ir-Cl	125.65	-39.65	-28.82
		Ir-C	2.19	0.02	-0.26
IrClO	Iridium(III) oxide chloride	Ir-O	1.75	-0.03	0.00	m
		Ir-Cl	2.21	-0.15	-0.23
IrC6N3H15Cl3	Ir(III)N3Cl3 (YAPGOL)	Ir-Cl	2.36	-0.05	0.12	jj
		Cl-Ir-Cl	90.74	5.62	9.64
		Ir-N	2.06	0.04	-0.03
IrCl4	Iridium(V) tetrachloride, cation	Ir-Cl	2.22	0.00	0.06	m
IrC2N2H4Cl4	Ir(III)Cl4N2(-) (IMIXUX)	Ir-N	1.98	0.00	-0.08	jj
		N-Ir-N	77.19	1.76	5.13
		Ir-Cl	2.37	-0.08	0.13
		Cl-Ir-N	95.49	0.03	-8.90
		Ir-Cl	2.36	-0.07	0.16
IrC2N2H8Cl4	Ir(III)Cl4N2(-) (IMIXOR)	Ir-N	2.05	0.07	-0.03	jj
		N-Ir-N	82.65	0.10	6.01
		Ir-Cl	2.37	-0.05	0.12
		Cl-Ir-N	91.92	-1.28	-11.27
IrC12N2H8Cl4	Ir(IV)Cl4N2 (GIKBEH)	Ir-N	2.04	0.01	-0.13	jj
		N-Ir-N	79.63	1.93	7.04
		Ir-Cl	2.30	-0.07	0.11
IrC3NH6Cl4O2	Ir(III)NOCl4(2-) (FURCEA)	Ir-Cl	2.35	0.02	0.20	jj
		Cl-Ir-Cl	88.24	2.63	4.97
		Ir-O	2.03	0.12	0.08
		Ir-N	2.04	0.07	-0.03
IrC4H12S2Cl4	Ir(III)Cl4S2(-) (BOCLUA)	Ir-S	2.33	-0.04	-0.03	jj
		Ir-Cl	2.36	-0.02	0.25
		S-Ir-Cl	90.00	2.22	-5.24
IrC4N2H4Cl5	Ir(III)Cl5N(2-) (CLPZIR)	Ir-N	2.02	-0.05	-0.07	jj
		Ir-Cl	2.36	-0.02	0.20
		N-Ir-Cl	89.76	-0.54	-4.58
IrCl6	Ir(V)Cl6(-) (TEVFIJ)	Ir-Cl	2.33	-0.13	0.00	jj
IrCl6	Ir(III)Cl6 d6	Ir-Cl	2.52	-0.12	0.05	m
IrCl6	Iridium(III) hexachloride	Ir-Cl	2.52	-0.11	0.05	m
IrBr	Iridium(I) bromide	Ir-Br	2.38	-0.05	0.12	m
IrBrO	Iridium(III) oxide bromide	Ir-O	1.76	-0.04	-0.01	m
		Ir-Br	2.34	-0.04	-0.65
		O-Ir-Br	164.75	14.67	15.35
IrC15H18Br3O6	Ir(III)O6 (LECDAY)	Ir-O	1.99	0.10	0.13	jj
		O-Ir-O	92.81	-8.37	-2.10
IrBr4	Iridium(V) tetrabromide, cation	Ir-Br	2.35	0.15	0.09	m
IrBr6	Ir(III)Br6 d6	Ir-Br	2.65	0.04	0.03	m
IrBr6	Iridium(III) hexabromide	Ir-Br	2.65	26.34	0.32	m
IrI	Iridium(I) iodide	Ir-I	2.57	0.08	0.06	m
IrIO	Iridium(III) oxide iodide	Ir-O	1.76	0.07	-0.02	m
		Ir-I	2.53	0.24	-0.71
		O-Ir-I	157.00	-56.25	22.79
IrC14H22IO2	IrC4O2(Me)I (VAZBED)	Ir-I	2.83	0.28	0.03	jj
		Ir-O	2.05	-0.01	0.05
		O-Ir-I	83.44	4.25	-3.09
		Ir-C	2.14	0.14	0.61
		Ir-C	2.17	0.00	-0.19
IrI4	Iridium(V) tetraiodide, cation	Ir-I	2.54	0.29	0.14	m
IrI6	Iridium(III) hexaiodide	Ir-I	2.83	0.11	0.05	m
Ir2C8O8	Ir2(CO)8	Ir-Ir	2.47	0.39	0.00	m
PtC8H14	Pt(IV)(Cp)C3 (CPMEPT01)	Pt-C	2.21	-0.18	-0.19	jj
		Pt-C	2.00	0.03	0.03
		Pt-C(Cp)	2.48	0.46	-0.05
PtN4H12	Pt(II)(NH3)4	Pt-N	2.13	-0.08	-0.06	m
PtN4H12	Pt(II)N4(2+) (APTCPT)	Pt-N	2.05	0.00	0.02	jj
		N-Pt-N	89.75	0.19	0.25
PtN6H18	Pt(II)(NH3)6	Pt-N	2.12	-0.08	-0.09	m
		Pt-N'	2.55	1.63	0.11
PtC4N6H22	Pt(II)N4(2+) (ACMPTC)	Pt-N	1.96	0.09	0.10	jj
		Pt-N	2.04	0.01	0.02
		N-Pt-N	96.15	-1.52	-6.40
PtC4O4	Pt(CO)4	Pt-C	2.02	0.41	0.33	m
PtC3N2H8O4	Pt(NH3)2(malonate)	Pt-N	2.14	-0.10	-0.13	QQQ
		N-Pt-N	103.39	1.66	3.04
		Pt-O	2.04	-0.03	0.00
		O-Pt-O	97.66	6.24	4.74
PtC5N2H6O4	Pt(II)N2O2 (CAGDUJ)	Pt-O	2.00	-0.05	0.05	jj
		Pr-O	2.19	0.00	0.02
		O-Pt-O	150.43	5.60	-3.44
		Pt-N	2.01	-0.12	-0.13
		N-Pt-O	94.41	4.69	-3.58
PtC6N2H14O4	Pt(IV)N2O2C2 (BAVHIP)	Pt-O	2.01	0.00	0.08	jj
		Pt-N	2.18	-0.05	0.00
		O-Pt-N	81.39	-1.36	-2.61
		Pt-C	2.02	-0.01	0.03
		C-Pt-O	90.46	-9.39	-8.22
PtH12O6	Pt(II)(H2O)6	Pt-O	2.28	-0.03	0.06	m
		Pt-O'	2.05	0.01	0.10
PtC3N2H10O6	Pt(IV)O4N2 (BIPWIG)	Pt-O	2.04	-0.06	0.01	jj
		O-Pt-O	94.35	4.67	5.10
		Pt-N	2.04	-0.01	0.01
		N-Pt-O	90.70	7.96	-3.66
PtC10N2H12O8	Platinum EDTA	Pt-N	2.87	-0.05	-0.21	m
		Pt-O	2.13	-0.10	-0.02
PtCH3F	Methyl platinum(II) fluoride	Pt-F	1.96	-0.06	-0.01	m
		Pt-C	2.01	0.02	-0.01
		F-Pt-C	104.69	-3.20	16.73
PtF2	Platinum F	Pt-F	1.95	-0.05	0.00	hhhhh
		F-Pt-F	120.28	-25.88	-14.06
PtOF2	Platinum(IV) oxide difluoride	Pt=O	1.78	-0.10	-0.17	m
		Pt-F	1.95	-0.10	0.03
		O=Pt-F	129.32	15.79	9.30
PtC45P2H40O	trans-Pt(PPh3)(C2H5)(benzoyl)	Pt-C	2.06	0.03	0.03	RRR
		Pt-P	2.27	0.06	0.02
		Pt-P	2.28	0.06	0.01
		P-Pt-C	89.10	4.05	2.91
		Pt-C	2.15	-0.14	-0.11
PtC8P2H18O4	Oxalato-bis(trimethylphosphine)	Pt-P	2.22	0.08	0.01	SSS
		P-Pt-P	97.30	7.90	9.52
		Pt-O	2.06	-0.03	0.05
		Pt-O	2.07	-0.03	0.02
		O-Pt-O	81.40	4.02	2.92
PtC6P2H18F2	Pt(PMe3)2F2 (cis)	Pt-P	2.28	0.02	-0.04	m
		P-Pt-P	100.89	3.11	8.27
		Pt-F	2.06	-0.13	0.00
PtC16H22S2	cis-Pt(SMe2)2(C6H5)2	Pt-S	2.37	0.00	-0.02	TTT
		Pt-S	2.39	-0.02	-0.04
		S-Pt-S	88.70	-0.72	-0.29
		Pt-C	2.04	-0.06	-0.03
		Pt-C	2.00	-0.02	0.01
PtC12N2H12S2	Platinum(cyclooctadiene) maleoni	Pt-S	2.34	-0.06	-0.04	m
		Pt-C	2.25	-0.10	-0.13
PtC12N2H12S2	Pt(Cyclo-octadiene) maleonitrile	Pt-S	2.27	0.01	0.02	UUU
		Pt-S	2.26	0.02	0.04
		S-Pt-S	89.80	-1.32	0.82
		Pt-C	2.19	-0.04	-0.07
		C-Pt-C	36.90	1.71	2.56
PtC8N4S4	Pt(III)S4(-) (BEKSIT)	Pt-S	2.27	0.03	0.03	jj
		S-Pt-S	90.51	-3.60	-0.88
PtCH3Cl	Methyl platinum(II) chloride	Pt-Cl	2.27	-0.05	-0.14	m
		Pt-C	2.02	0.02	-0.01
		Cl-Pt-C	102.45	-2.31	22.83
PtC2N2H7ClO2	Pt(II)N2ClO (ACHGLP10)	Pt-Cl	2.30	-0.04	-0.01	jj
		Pt-N	1.97	0.10	0.05
		N-Pt-Cl	86.52	-7.97	-6.11
		Pt-N	2.08	-0.01	-0.03
PtC4H8Cl2	Pt(II)C4Cl2 (BOFTEV)	Pt-Cl	2.30	-0.06	-0.02	jj
		Cl-Pt-Cl	89.37	1.65	1.25
		Pt-C	2.21	-0.07	-0.11
PtC4NH9Cl2	Pt(II)Cl2NC2 (ETDMAX)	Pt-C	2.21	-0.12	-0.08	jj
		Pt-N	2.02	0.04	0.01
		N-Pt-C	160.47	3.76	3.97
PtN2H6Cl2	Pt(II)N2Cl2 (CUKRAB)	Pt-Cl	2.31	-0.05	-0.03	jj
		Cl-Pt-Cl	92.40	7.34	5.31
		Pt-N	2.00	0.09	0.07
		N-Pt-Cl	89.91	-7.68	-7.81
PtC2N2H8Cl2	Pt(II)Cl2N2 (CCENPT)	Pt-N	2.08	-0.01	-0.04	jj
		N-Pt-N	73.14	11.16	16.79
		Pt-Cl	2.29	-0.03	0.01
		Cl-Pt-N	95.30	-3.34	-11.31
PtC10N2H8Cl2	Pt(2,2'-Bipyridyl)Cl2	Pt-Cl	2.29	-0.04	0.02	VVV
		Cl-Pt-Cl	89.20	-1.15	-2.24
		Pt-N	2.02	-0.03	-0.08
		Pt-N'	2.03	-0.04	-0.08
		N-Pt-N'	80.80	-0.15	2.96
PtC10N2H10Cl2	cis-Dichloro-bis(pyridine)-plati	Pt-N	2.02	-0.02	-0.07	WWW
		N-Pt-N	89.00	4.95	9.12
		Pt-Cl	2.30	-0.05	0.02
		Cl-Pt-Cl	91.80	5.54	3.31
PtC8N4H16Cl2	Pt(II)Cl2N2C2 (BHZEPT)	Pt-N	2.22	0.97	0.30	jj
		N-Pt-N	72.00	-8.70	0.69
		Pt-C	2.07	0.00	0.02
		Pt-Cl	2.30	-0.02	0.00
		Cl-Pt-N	90.89	-15.13	-9.04
PtCl2O	Platinum(IV) oxide dichloride	Pt=O	1.80	0.02	-0.06	m
		Pt-Cl	2.26	-0.09	-0.11
		O=Pt-Cl	118.36	-10.69	-3.99
PtC2N2H8Cl2O2	Pt(II)N2Cl2 (CCAPGC10)	Pt-Cl	2.29	0.00	0.00	jj
		Pt-N	2.03	-0.01	0.00
		N-Pt-Cl	90.82	-0.63	-0.13
PtC4N2H8Cl2O4	cis-Pt(IV)(glycyl)2Cl2	Pt-Cl	2.30	-0.04	-0.02	XXX
		Cl-Pt-Cl	92.50	-0.31	-5.05
		Pt-N	2.04	0.02	0.02
		O-Pt-Cl	91.40	-6.83	-5.87
		O-Pt-N	84.40	-4.15	-3.46
PtC4N2H10Cl2O4	Pt(II)Cl2N2 (BALTIR)	Pt-Cl	2.30	-0.04	-0.01	jj
		Cl-Pt-Cl	91.91	8.06	5.52
		Pt-N	2.08	0.01	-0.02
		N-Pt-Cl	86.53	-3.83	-4.59
PtC6P2H18Cl2	Pt(II)P2Cl2 (CDCPPT10)	Pt-Cl	2.39	-0.08	-0.02	jj
		Cl-Pt-Cl	87.75	-0.30	-6.35
		Pt-P	2.26	0.06	0.02
PtC6P2H18Cl2	Pt(PMe3)2Cl2 (cis)	Pt-P	2.40	-0.07	-0.06	m
		P-Pt-P	111.34	68.62	-5.23
		Pt-Cl	2.48	-0.16	-0.11
PtC2H4Cl3	Pt(C2)Cl3(-) (XIVSOK) (Zeise's s	Pt-Cl	2.29	0.02	0.05	jj
		Pt-Cl	2.31	-0.06	0.01
		Cl-Pt-Cl	89.92	0.91	1.46
		Pt-C	2.13	-0.06	-0.05
PtC7NH9Cl3	Pt(II)Cl3N(-) (APTCPT)	Pt-Cl	2.30	-0.01	0.02	jj
		Cl-Pt-Cl	90.51	1.84	1.08
		Pt-N	2.02	-0.05	-0.10
		N-Pt-Cl	89.08	-1.49	-0.81
PtC12N2H19Cl3	Pt(IV)Cl3CN2 (CEFJAY)	Pt-N	2.15	-0.08	-0.04	jj
		N-Pt-N	160.73	6.87	3.46
		Pt-Cl	2.46	-0.14	-0.03
		N-Pt-Cl	98.23	-2.02	-0.29
		Pt-Cl	2.33	-0.04	0.03
		Pt-C	2.36	-0.07	0.00
PtC4N3H13Cl3	Pt(IV)N3Cl3(+) (ENTAPT)	Pt-Cl	2.31	-0.06	-0.01	jj
		Cl-Pt-Cl	92.39	-0.30	4.35
		Pt-N	2.07	0.02	0.01
PtC5N3H10Cl3O	mer-(NH3)2-Cl3-(N-pyridonato) pl	Pt-Cl	2.33	-0.06	0.00	YYY
		Pt-Cl	2.31	-0.02	0.04
		Cl-Pt-Cl	91.60	2.47	4.94
		Pt-Cl	2.31	-0.04	0.01
		Pt-N	90.50	-0.42	-1.13
		Pt-N	93.60	-0.07	-2.59
		N-Pt-Cl	-92.93	0.55	2.09
PtCl4	Pt(II)Cl4(2-) (CULZIS)	Pt-Cl	2.30	0.02	0.06	jj
		Cl-Pt-Cl	90.97	-0.40	-0.34
PtC4N4H2Cl4O4	Pt(II)N4 (BOHWOK)	Pt-N	1.98	-0.05	-0.01	jj
		N-Pt-N	80.75	0.05	1.48
PtCl6	Pt(IV)Cl6(2-) (DEFVUF)	Pt-Cl	2.33	-0.03	0.04	jj
PtCH3Br	Methyl platinum(II) bromide	Pt-Br	2.38	-0.04	-0.06	m
		Pt-C	2.01	0.03	-0.01
		Br-Pt-C	103.68	-2.96	17.99
PtC4N3H13Br	Pt(II)N3Br(+) (BDETAP)	Pt-Br	2.43	-0.07	-0.06	jj
		Pt-N	1.96	0.07	0.05
		N-Pt-Br	95.32	-1.27	-3.69
PtC15P2H35Br	trans-Pt(PEt3)2(Allyl)Br	Pt-Br	2.54	0.05	0.10	ZZZ
		Pt-P	2.30	0.05	0.00
		P-Pt-Br	87.80	0.43	3.30
		Pt-P	2.27	0.08	0.03
		Pt-C	2.09	0.00	-0.02
		P-Pt-C	92.80	-0.41	-2.12
PtC6N2H12Br2	Pt(II)Br2N2 (ACHPTB)	Pt-Br	2.43	-0.05	0.00	jj
		Br-Pt-Br	95.60	-3.06	17.01
		Pt-N	2.06	-0.08	-0.14
PtBr2O	Platinum(IV) oxide dibromide	Pt=O	1.81	0.03	-0.06	m
		Pt-Br	2.38	-0.06	-0.07
		O=Pt-Br	120.06	-12.72	-5.33
PtC4N2H10Br2O4	Pt(II)Br2N2 (BGLYPT)	Pt-Br	2.42	-0.04	-0.01	jj
		Br-Pt-Br	93.07	2.64	9.65
		Pt-N	1.99	0.12	0.06
PtCH3I	Methyl platinum(II) iodide	Pt-I	2.56	-0.07	0.00	m
		Pt-C	2.01	0.03	0.00
		I-Pt-C	104.19	-2.24	10.03
PtC14H14S2IBr	Pt(1,2-C2H4(SPh)2))BrI	Pt-I	2.58	-0.05	0.01	AAA
		Pt-Br	2.46	-0.05	0.00
		I-Pt-Br	92.20	1.84	4.91
		Pt-S	2.25	0.06	0.04
		Pt-S	2.26	0.11	0.04
		S-Pt-S	91.00	-2.30	2.41
PtN2H6I2	cis-Pt(NH3)2I2	Pt-I	2.58	-0.06	0.00	BBB
		I-Pt-I	93.40	4.04	-0.52
		Pt-N	2.05	0.11	0.03
PtC10N2H10I2	Pt(II)I2N2 (DIPYPT)	Pt-I	2.60	-0.02	0.02	jj
		Pt-N	2.04	-0.06	-0.08
		I-Pt-N	89.89	0.12	0.08
PtC4N4H16I2	Pt(IV)N4I2(2+) (BEVMAQ)	Pt-I	2.66	-0.04	0.05	jj
		Pt-N	2.07	-0.01	0.01
		I=Pt-N	90.02	-0.49	0.03
PtI2O	Platinum(IV) oxide diiodide	Pt=O	1.82	0.59	0.14	m
		Pt-I	2.57	-0.12	-0.06
		O=Pt-I	120.69	59.25	16.40
PtC6N2H6I2O2	Pt(II)I2N2 (CUPCAR)	Pt-I	2.58	-0.06	0.00	jj
		I-Pt-I	91.46	2.43	0.41
		Pt-N	2.04	0.03	-0.07
		Pt-N	2.17	-0.10	-0.20
PtC8H12I4O2	Pt(IV)C2I2O2 (BIFCOI)	Pt-I	2.63	-0.02	0.00	jj
		Pt-O	2.23	0.14	0.07
		O-Pt-I	85.91	0.06	15.01
		Pt-C	2.00	-0.02	0.01
		C-Pt-I	93.14	-2.67	-14.45
Pt2C12H10O2	Pt2(Cp)2(CO)2	Pt-Pt	2.72	0.27	0.21	m
		Pt-C(C=O)	2.03	0.19	-0.03
		Pt-C(Cp)	2.59	1.28	0.02
Pt2Br6	Pt(II)2Br6(2-) (ETABPT)	Pt-Pt	3.55	0.07	-0.11	jj
		Pt-Br(br)	2.41	0.04	0.04
		Br-Pt-Pt	43.52	-1.19	1.80
		Pt-Br	2.42	0.03	0.07
Pt4	Platinum tetramer	Pt-Pt	2.63	0.15	0.01	CCC
Pt6	Pt6	Pt-Pt	2.71	0.08	-0.09	CCC
		Pt-Pt'	2.48	0.01	0.00
AuH	AuH	Au-H	1.52	0.13	0.01	KK
AuCH3	Methyl gold(I)	Au-C	2.08	0.09	-0.01	m
AuNH2	Amino gold(I)	Au-N	2.09	-0.43	-0.56	m
AuC2NH8	Dimethyl gold(III) amine	Au-C	2.13	-0.01	-0.07	m
		C-Au-C	80.09	22.79	25.03
		Au-N	2.04	-0.23	-0.44
AuC2N2	Gold(I) di-cyanide, anion	Au-C	2.04	0.08	0.05	m
AuC2N2	Au(I)(CN)2(-) (JEYXAM)	Au-C	2.02	0.10	0.07	jj
AuC3N2H3	Au(I)C2 (CYMIAU)	Au-C(N)	2.00	0.08	0.05	jj
		Au-C(NCH3)	1.98	0.20	0.17
AuN3H6	Triamino gold(III)	Au-N	2.08	-0.18	-0.66	m
		N-Au-N	158.14	12.93	-18.90
		Au-N'	2.11	-0.18	-0.08
AuN4H12	Gold(III)(NH3)4	Au-N	2.17	-0.18	-0.03	m
AuN4H12	Gold(I)(NH3)4	Au-N	2.50	0.01	-0.15	m
AuC4N4	Au(III)(CN)4	Au-C	2.06	-0.07	-0.05	m
AuC14N4H22	Au(I)N4(+) (AZEGIV)	Au-N	1.99	-0.07	0.15	jj
		Au-N	1.97	-0.05	0.04
		N-Au-N	95.64	-0.72	-9.24
AuO	Gold(I) oxide, anion	Au-O	1.98	-0.46	-0.55	m
AuC2H7O	Dimethyl gold(III) hydroxide	Au-O	2.09	-0.26	-0.21	m
		Au-C	2.10	-0.02	-0.10
		O-Au-C	106.04	-26.60	-7.83
AuH4O2	Gold(I)(H2O)2	Au-O	176.80	0.19	0.12	m
AuH8O4	Gold(I)(H2O)4	Au-O	3.99	-1.57	0.90	m
		Au-O'	2.13	0.17	0.33
AuC4O4	Gold tetracarbonyl, cation	Au-C	2.28	0.10	0.02	m
AuF	Gold(I) fluoride	Au-F	2.07	0.01	-0.15	m
AuCH3F2	Methyl gold(III) difluoride	Au-F	2.03	-0.42	0.03	m
		Au-C	179.58	0.01	-0.03
		C-Au-F	1.09	-0.01	0.01
AuF3	Gold(III) trifluoride	Au-F	2.01	-0.07	0.03	m
		Au-F'	2.02	-0.54	-0.08
		F-Au-F'	95.00	-4.12	7.64
AuF4	Gold(III) tetrafluoride, anion	Au-F	2.04	-0.31	-0.01	m
AuHSF2	Gold(III) difluoride thiol	Au-S	2.34	0.00	-0.18	m
		Au-F	2.02	-0.40	0.02
		S-Au-F	89.37	2.29	-2.05
AuC4H12S2	Au(Me2S)2	Au-S	2.40	-0.01	-0.10	m
AuC2N4H8S2	Au(I)S2(+) (AFAWUZ)	Au-S	2.28	0.09	0.01	jj
AuC12H8S4	Au(IV)S4 (JEKGAH)	Au-S	2.30	0.04	-0.05	jj
		S-Au-S	89.89	-2.01	3.03
AuCl	Gold(I) chloride	Au-Cl	2.33	0.06	0.01	m
AuC4N3H13Cl	Au(III)N3Cl(2+) (AEMAUP)	Au-Cl	2.27	0.01	-0.13	jj
		Au-N	1.97	-0.08	0.24
		N-Au-Cl	93.73	-3.47	-3.25
		Au-N'	2.05	0.05	0.01
AuC2H6SCl	Au(I)SCl (GOJLAS)	Au-S	2.27	0.12	0.06	jj
		Au-Cl	2.29	0.11	0.09
AuCl2	Au(I)Cl2(-) (GANJOU)	Au-Cl	2.28	0.17	0.14	jj
AuCH3Cl2	Methyl gold(III) dichloride	Au-Cl	2.35	0.02	-0.04	m
		Au-C	93.01	0.42	0.77
		C-Au-Cl	177.89	-0.08	0.00
AuC11N2H10Cl2O	Au(III)Cl2N2(+) (BATTOF)	Au-Cl	2.26	-0.02	-0.10	jj
		Cl-Au-Cl	89.64	0.35	8.20
		Au-N	2.08	-0.08	0.11
AuC6NH3Cl2O3	Au(III)Cl2ON (KUDNAY)	Au-Cl	2.25	0.14	0.16	jj
		Au-N	2.04	0.17	0.30
		Au-O	1.99	-0.48	-0.57
AuC5NH5Cl3	Au(III)NCl3 (PYAUCL10)	Au-Cl	2.29	0.03	-0.01	jj
		Au-Cl	2.26	-0.04	-0.10
		Au-Cl	2.28	0.04	-0.01
		Au-N	2.00	-0.09	0.17
AuC6NH7Cl3O	Au(III)NCl3 (HIHCIK)	Au-Cl	2.27	0.04	0.00	jj
		Au-N	2.02	-0.11	0.10
AuCl4	Au(III)Cl4(-) (BENYAU)	Au-Cl	2.27	0.03	0.00	jj
AuBr	Gold(I) bromide	Au-Br	2.44	-0.13	-0.18	m
AuC2H6SBr	Au(I)SBr (GIGWAU)	Au-Br	2.40	-0.06	-0.06	jj
		Au-S	2.28	0.15	0.04
AuBr2	Au(I)Br2(-) (DOYMAF)	Au-Br	2.38	0.04	0.05	jj
AuC3PH9Br3	Au(III)Br3P (BRMPAU)	Au-Br	2.51	-0.15	0.51	jj
		Au-Br'	2.48	2.06	0.05
		Au-P	2.48	-0.20	-0.38
AuC2H6SBr3	Au(III)SBr3 (GIGWEY)	Au-Br	2.42	-0.18	0.41	jj
		Au-S	2.35	0.09	0.04
AuBr4	Au(III)Br4(-) (BENBEC)	Au-Br	2.41	-0.15	-0.14	jj
AuI	Gold(I) iodide	Au-I	2.61	0.14	-0.04	m
AuI2	Au(I)I2(-) (GANJUA)	Au-I	2.53	0.29	0.14	jj
AuI4	Au(III)I4(-) (GEJQUH)	Au-I	2.63	0.17	0.28	jj
Au2	Gold, dimer	Au-Au	2.63	0.19	-0.39	m
Au2C6N2H20	Au(III)2C4N2 (DEVLUL)	Au-N	2.14	-0.01	0.04	jj
		Au-C	2.04	0.02	-0.04
		C-Au-N	97.08	-2.44	-1.89
Au2C10P4H28	Au(I)2P4 (DUKREG01)	Au-P	2.30	-0.03	0.09	jj
		P-Au-P	176.79	6.87	-85.75
Au2C8H22S2	Au(III)2C4S2 (CULYIR)	Au-Au	3.46	0.08	0.06	jj
		Au-S	2.41	0.08	-0.09
		Au-C	2.13	-0.05	-0.13
		C-Au-Au	134.78	1.59	-1.96
Au2C12P2H28Cl2	Au(II)2C4Cl2 (EMPLAU)	Au-Cl	2.38	-0.03	0.07	jj
		Au-C	2.05	0.06	0.20
		Cl-Au-C	85.75	4.16	7.16
		Au-Au	2.59	0.69	0.42
Au2C9P2H23I	Au(II)2C5I (BIBPIL)	Au-Au	2.70	0.96	0.41	jj
		Au-I	2.89	-0.10	-0.15
		Au-C	3.14	0.37	-0.68
		Au-C(P)	3.17	1.04	-0.77
		C-Au-Au	65.07	-26.63	24.99
Au2C6P2H18I2	Au(I)2P2I2 (FUWFIM)	Au-I	2.58	0.22	0.07	jj
		Au-P	2.26	0.09	0.06
Au4C12N4H24	(Au(CH3)2(CN))4	Au-Au	5.50	-0.12	0.03	m
		Au-C(CN)	2.03	0.14	0.08
		Au-N	2.14	-0.10	0.14
		Au-C(Me)	2.11	-0.04	-0.13
HgH	Mercury hydride	Hg-H	1.74	0.01	0.14	a
HgC2NH3	Methylmercuric cyanide	Hg-CN	2.08	-0.13	-0.05	DDD
		Hg-CH3	2.05	0.01	0.05
		C-N	1.14	0.01	0.02
HgC2N2	Hg(CN)2	Hg-C	2.06	-0.12	-0.05	m
HgO	Mercury oxide	Hg-O	1.84	0.07	-0.01	ww
HgC9NH12O	Hg(II)CN(+) (BAVMUG)	Hg-C	2.12	-0.05	-0.01	jj
		Hg-N	2.16	0.03	-0.13
HgC8H6O2	Hg(II)C2 (BEGVEO)	Hg-C	2.06	-0.07	0.01	jj
HgC4N2H7O2	Hg(II)N2 (HGACAM)	Hg-N	2.06	0.06	-0.19	jj
HgC4H6O4	Hg(II)O2 (HGACET10)	Hg-O	2.06	0.10	0.21	jj
HgF	Mercury fluoride	Hg-F	1.89	0.05	0.04	ww
HgF2	Mercury difluoride	Hg-F	1.96	-0.04	-0.05	ww
HgC2F6	Ditrifluoromethyl mercury	Hg-C	2.10	-0.03	-0.04	EEE
HgC16P2H36	Hg(II)P2 (KASDAJ)	Hg-P	2.44	-0.22	-0.23	jj
HgC4N4H6S2	Hg(II)S2N2 (ENHGTC10)	hg-N	2.31	0.05	-0.20	jj
		N-Hg-N	79.42	10.50	50.12
		Hg-S	2.43	-0.02	0.23
HgC4H6S2O4	Hg(II)S2 (AQONOJ)	Hg-S	2.34	0.02	0.20	jj
HgC10N2H20S4	Hg(II)S4 (HGETCB10)	Hg-S	2.40	0.12	0.33	jj
		Hg-S	2.96	-0.42	-0.24
		S-Hg-S	66.43	4.31	-0.58
HgC4N6H8S4	Hg(II)S4 (HGTHUR)	Hg-S	2.48	-0.08	0.15	jj
		Hg-S	2.35	0.08	0.29
		S-Hg-S	171.60	-34.43	-35.73
		Hg-S	3.23	-0.56	-0.39
		S-Hg-S	86.90	12.79	0.61
HgCl	Mercury chloride	Hg-Cl	2.23	0.06	0.14	a
HgCH3Cl	Methylmercuric chloride	Hg-C	2.05	-0.01	0.04	d
		Hg-Cl	2.29	0.00	0.04
HgCl2	Hg(II)Cl2 (BITHIV10)	Hg-Cl	2.35	-0.10	-0.08	jj
HgCl2	Mercury dichloride	Hg-Cl	2.25	0.00	0.01	FFF
HgC12H24Cl2O6	18-Crown-6-dichloro-mercury(II)	Hg-Cl	2.31	-0.05	0.09	jj
		Hg-O	2.83	0.07	-0.05
HgC12P2H30Cl2	Hg(II)P2Cl2 (CLTEHG)	Hg-Cl	2.68	-0.43	-0.20	jj
		Cl-Hg-Cl	105.49	73.37	29.30
		Hg-P	2.39	3.36	0.14
HgC2N6H10S2Cl2	Hg(II)Cl2S2 (CTSCHG)	Hg-Cl	2.82	-0.45	-0.46	jj
		Hg-S	2.42	0.21	0.52
		S-Hg-Cl	89.51	5.80	17.32
HgCl3	Hg(II)Cl3(-) (DOTLIH)	Hg-Cl	2.67	-0.34	-0.32	jj
		Hg-Cl	2.36	-0.03	0.00
		Cl-Hg-Cl	102.44	17.15	17.09
		Cl-Hg-Cl-Cl	-152.56	-28.09	-28.52
HgCl4	Hg(II)Cl4(2-) (BEGZIW)	Hg-Cl	2.58	-0.16	-0.07	jj
HgCl4	[Hg(II)Cl4](=)	Hg-Cl	2.67	-0.25	-0.17	m
HgBr	Mercury bromide	Hg-Br	2.33	0.07	0.03	ww
HgCH3Br	Methylmercuric bromide	Hg-C	2.06	-0.01	0.02	g
		Hg-Br	2.40	0.00	-0.01
		C-H	1.09	0.01	0.02
		Hg-C-H	109.60	1.90	1.59
HgBr2	Hg(II)Br2 (ACNHGB)	Hg-Br	2.42	-0.04	-0.17	jj
HgBr2	Mercury dibromide	Hg-Br	2.44	-0.07	-0.19	GGG
HgC12H24Br2O6	18-Crown-6-dibromo-mercury(ii) (	Hg-Br	2.44	-0.05	-0.02	jj
		Hg-O	2.85	0.04	-0.24
HgBr4	Hg(II)Br4(2-) (BOPGOC11)	Hg-Br	2.60	-0.06	0.04	jj
HgI	Mercury iodide	Hg-I	2.49	0.08	-0.06	ww
HgCH3I	Methylmercuric iodide	Hg-C	2.07	-0.02	0.01	g
		Hg-I	2.59	0.00	-0.11
HgI2	Mercury diiodide	Hg-I	2.55	0.01	-0.15	HHH
HgC2N4H8S2I2	Hg(II)S2I2 (HGITUR)	Hg-I	2.84	-0.20	-0.34	jj
		I-Hg-I	101.44	24.19	59.79
		Hg-S	2.46	0.04	0.54
HgI4	Hg(II)I4(2-) (DUFHOB10)	Hg-I	2.79	-0.08	0.16	jj
Hg2C4O4F6	Hg(I)HgO (HGFLAC10)	Hg-Hg	2.50	0.12	0.60	jj
		Hg-O	2.15	0.10	0.18
		O-Hg-Hg	166.59	5.61	7.02
Hg2CH2Cl2	Hg(II)CCl (CLHGMA)	Hg-Cl	2.33	-0.05	-0.02	jj
		Hg-C	2.04	0.00	0.07
Hg2C6P2H18Cl4	Hg(II)PCl3 (MPHGCL10)	Hg-Hg	3.88	-0.25	0.13	jj
		Hg-Cl	2.35	-0.07	-0.01
		Cl-Hg-Hg	96.29	19.64	31.45
		Hg-P	2.36	0.21	0.10
Hg2Cl6	Hg(II)Cl4(2-) (DEYMUP)	Hg-Hg	3.92	-0.25	0.12	jj
		Hg-Cl	2.40	-0.04	0.01
		Cl-Hg-Hg	112.93	10.50	11.20
		Hg-Cl	2.54	-0.05	0.09
		Cl-Hg-Hg	45.99	-3.90	-6.26
Hg2C4N2H4I4	Hg(II)NI2 (EWOREN)	Hg-I	2.60	-0.04	-0.10	jj
		I-Hg-I	163.41	-21.47	-21.10
		Hg-N	2.51	-0.11	-0.21
		N-Hg-I	99.55	9.27	9.23
Hg3C2HCl3O	Hg(II)CCl (BIYFIY)	Hg-Cl	2.30	-0.02	-0.03	jj
		Hg-C	2.15	-0.12	0.02
Hg3C2HBr3O	Hg(II)CBr (BIYFOE)	Hg-C	2.05	-0.01	0.11	jj
		Hg-Br	2.44	-0.04	-0.12
		C-Hg-Br	178.02	1.64	0.23
TlC2H6	Tl(III)C2(+) (DMTLAZ)	Tl-C	2.07	0.17	0.34	jj
TlC3H9	Tl(III)C3 (TMETTL)	Tl-C	2.30	-0.11	0.07	jj
TlC5H5	Cyclopentadienyl thallium	Tl-C	2.71	-0.24	-0.25	d
TlC9N3H21	Tl(I)N3(+) (DUCDIO)	Tl-N	2.60	-0.38	0.03	jj
		N-Tl-N	67.35	-11.97	-2.72
		Tl-N	2.63	0.79	1.10
TlC6N6H24	Tl(III)N6(3+) (BOWKIH)	Tl-N	2.38	-0.07	0.06	jj
		Tl-N	2.23	0.08	0.20
		N-Tl-N	79.46	-0.58	-7.84
TlC8N6H18	Tl(III)N4C2(+) (LUWWIJ)	Tl-N	2.33	0.04	0.20	jj
		N-Tl-N	74.43	2.44	-7.51
		Tl-C	2.28	-0.16	-0.02
TlBO2	TlBO2	Tl-O	2.42	-0.09	0.15	g
		B=O	1.26	-0.06	-0.04
TlC7H13O2	Tl(III)C2O2 (MTLACA)	Tl-O	2.45	-0.20	0.10	jj
		O-Tl-O	79.14	11.03	-9.43
		Tl-C	2.12	0.09	0.23
TlC27N3H18O3	Thallium tris-8-quinolinol	Tl-O	2.44	-0.15	0.04	m
		Tl-N	2.51	-0.28	-0.19
TlH7O4	TlOH.3(H2O)	Tl-O	3.04	0.42	-0.52	m
		Tl-O	2.44	-0.08	0.19
TlH8O4	Tl(I)(H2O)4	Tl-O	2.89	-0.16	-0.18	m
TlH12O6	Tl(III)(H2O)6	Tl-O	2.58	-0.24	-0.11	m
TlC6H9O6	Thallium(III) tris-acetate	Tl-O	2.61	-0.29	-0.04	m
		Tl-O	2.28	-0.11	-0.07
TlC8H12O8	Tl(III)O8(-) (THACTH)	Tl-O	2.31	0.07	0.31	jj
TlC10N2H12O8	Thallium(III)(EDTA)	Tl-N	2.60	-0.33	0.03	m
		Tl-O	2.51	-0.25	-0.06
TlF	Thallium fluoride (TlF)	Tl-F	2.08	-0.11	-0.03	ppp
TlH10O5F	[Tl(III)F(H2O)5](2+)	Tl-F	2.20	0.03	0.17	m
		Tl-O	2.52	-0.13	0.00
TlH8O4F2	trans-Tl(III)F2(H2O)4(+)	Tl-F	2.20	-0.12	-0.41	m
		Tl-O	2.56	-0.03	0.04
TlC12PH24O6F6	Tl(I)O6F3 (EMAPAJ)	Tl-F	3.35	0.69	-	jj
		Tl-O	2.98	-0.27	-
TlC3NH6S2	Tl(I)S2 (MDTCTL)	Tl-S	3.03	-0.46	-0.19	jj
TlC6H12S3	Tl(I)S3(+) (SITYAV)	Tl-S	3.12	-0.53	-0.26	jj
		S-Tl-S	67.57	15.48	3.20
TlC15N3H12S3O3	Tl(III)O3S3 (JIVQEK)	Tl-S	2.52	-0.01	0.18	jj
		Tl-O	2.39	0.05	0.35
		O-Tl-S	73.00	-0.06	-5.55
TlC12H8S4	Tl(III)S4(-) (TUBMIM)	Tl-S	2.47	-0.07	0.15	jj
		S-Tl-S	89.65	3.65	-6.23
TlC9N3H18S6	Tl(III)S6 (MSCTHL)	Tl-S	2.61	0.00	0.24	jj
		S-Tl-S	67.77	1.60	-4.99
TlCl	Thallium chloride	Tl-Cl	2.48	-0.12	0.12	d
TlH10ClO5	[Tl(III)Cl(H2O)5](2+)	Tl-Cl	2.53	0.10	-0.08	m
		Tl-O	2.59	-0.13	-0.01
TlH8Cl2O4	trans-Tl(III)Cl2(H2O)4(+)	Tl-Cl	2.52	-0.11	-0.05	m
		Tl-O	2.66	-0.28	-0.10
TlCl4	Tl(III)Cl4(-) (ENCOTL)	Tl-Cl	2.42	0.00	0.14	jj
TlCl5	Tl(III)Cl5(2-) (DAKWUI)	Tl-Cl	2.47	0.00	0.20	jj
		Tl-Cl	2.65	-0.16	0.05
TlBr	Thallium bromide	Tl-Br	2.62	-0.06	0.22	d
TlH10BrO5	[Tl(III)Br(H2O)5](2+)	Tl-Br	2.73	-0.01	-0.72	m
		Tl-O	2.60	-0.17	0.13
TlC8N4S4Br	Tl(III)S4Br(2-) (BIHHUV)	Tl-Br	2.64	0.00	0.28	jj
		Tl-S	2.58	0.01	0.17
		S-Tl-Br	99.64	-5.03	4.37
TlH8Br2O4	trans-Tl(III)Br2(H2O)4(+)	Tl-Br	2.72	-0.14	-0.56	m
		Tl-O	2.69	-0.31	0.44
TlC10N2H10Br3	Tl(III)N2Br3 (CEJMOT)	Tl-Br	2.56	0.01	0.22	jj
		Tl-N	2.44	-0.17	-0.13
TlBr4	Tl(III)Br4(-) (CAFSUX)	Tl-Br	2.58	-0.01	0.25	jj
TlBr5	Tl(III)Br5(2-) (BAQWUL)	Tl-Br	2.55	0.09	0.38	jj
		Tl-Br	2.88	-0.20	0.13
TlBr6	Tl(III)Br6(3-) (FEQXII)	Tl-Br	2.75	-0.02	0.37	jj
TlI	Thallium iodide	Tl-I	2.81	0.12	0.29	d
TlH10IO5	[Tl(III)I(H2O)5](2+)	Tl-I	2.90	40.98	-0.69	m
		Tl-O	2.63	0.09	0.13
TlH8I2O4	trans-Tl(III)I2(H2O)4(+)	Tl-I	2.89	0.04	0.12	m
		Tl-O	2.76	-0.37	-0.16
TlI4	Tl(III)I4(-) (BOKHUE)	Tl-I	2.76	0.13	0.38	jj
Tl2F2	Thallium fluoride dimer	Tl-F	2.29	-0.18	-0.18	g
		F-Tl-F	90.00	-20.22	5.65
PbH	Lead hydride	Pb-H	1.84	-0.09	0.01	a
PbC4H12	Pb(IV)C4 (VADRAU)	Pb-C	2.20	-0.04	-0.12	jj
PbC4H12	Tetramethyllead	Pb-C	2.24	-0.09	-0.16	III
		C-H	1.08	0.00	0.03
		H-C-Pb	104.60	3.58	9.46
PbC10H10	Bicyclopentadienyllead (plumboce	Pb-C	2.87	0.98	-0.03	m
PbC16N2H26	Pb(II)(Cp)2N2 (TODHOJ01)	Pb-N	2.88	1.05	0.36	jj
		N-Pb-N	63.86	-10.16	-3.03
		Pb-C	2.89	0.96	0.07
PbO	Lead oxide	Pb-O	1.92	-0.06	-0.05	JJJ
PbC7NH6O2	Pb(II)O2(+) (AMBOPB)	Pb-O	2.46	-0.26	-0.08	jj
		Pb-O	2.05	0.06	0.10
		O-Pb-O	66.17	-4.96	-2.72
PbC14N2H12O4	Pb(II)O4 (ABZOPB)	Pb-O	2.52	-0.17	-0.01	jj
		Pb-O	2.18	-0.04	0.01
		O-Pb-O	60.07	0.02	4.29
PbC6N6H6O5	Pb(II)O3N2 (LEWPIM)	Pb-N	2.58	0.44	0.13	jj
		Pb-O	2.66	-0.35	0.04
		O-Pb-N	69.63	-2.58	-4.14
PbC12H14O6	Pb(IV)O6C (NESTAG)	Pb-O	2.21	-0.17	0.20	jj
		Pb-C	2.16	-0.14	-0.20
PbF	Lead fluoride	Pb-F	2.06	-0.08	0.02	a
PbF2	Lead difluoride	Pb-F	2.03	-0.06	0.04	KKK
		F-Pb-F	97.20	3.66	2.78
PbS	Lead sulfide	Pb-S	2.29	-0.12	-0.53	JJJ
PbC4H12S	Pb(CH3)3(CH3S)	Pb-S	2.52	-0.10	0.01	m
		Pb-C	2.25	-0.10	-0.20
PbH2SF3	Pb(+)F3.H2S	Pb-F	2.04	-0.14	0.08	m
		Pb-S	2.68	-0.35	-0.05
PbC2H4S2	Pb(II)S2 (DISWIL)	Pb-S	2.66	-0.15	-0.18	jj
		S-Pb-S	82.02	4.90	3.65
PbC4N2H12S2	Pb(II)N2S2 (XUSSUZ)	Pb-S	2.64	-0.07	-0.04	jj
		Pb-N	2.55	0.99	0.27
		N-Pb-S	76.03	-9.08	-3.28
PbC14N2H28S4	Pb(II)S4 (IPTCPB)	Pb-S	2.69	0.07	0.04	jj
		Pb-S	2.85	0.08	-0.07
		S-Pb-S	63.73	-1.25	0.43
PbC8N4S4	Pb(II)S4(2-) (KAJMUD)	Pb-S	2.88	-0.13	-0.15	jj
		S-Pb-S	62.05	-0.45	2.48
PbC6N2H12S4O2	Pb(II)O2N2 (ICLMSX)	Pb-N	2.45	0.00	0.00	jj
		N-Pb-N	80.25	0.00	0.00
		Pb-O	2.51	0.00	0.00
		O-Pb-N	80.12	0.00	0.00
PbCl2	Lead dichloride	Pb-Cl	2.44	-0.08	0.13	LLL
		Cl-Pb-Cl	98.30	-1.84	-2.98
PbC12H24Cl2O6	18-Crown-6-dichloro-lead(II) (NO	Pb-Cl	2.77	-0.21	-0.06	jj
		Pb-O	2.75	-0.24	0.05
PbH4S2Cl2	Pb(IV)Cl2.2(H2S)	Pb-Cl	2.39	-0.21	0.00	m
		Pb-S	2.74	-0.17	-0.06
PbCl4	Lead tetrachloride	Pb-Cl	2.43	-0.14	-0.02	a
PbC6H5Cl5	Pb(IV)Cl5C(2-) (FEBGOI01)	Pb-Cl	2.61	-0.10	0.04	jj
		Pb-Cl	2.46	0.05	0.07
		Cl-Pb-Cl	88.17	14.13	0.81
		Pb-C	2.19	4.96	-0.20
		C-Pb-Cl	99.00	13.03	-7.74
PbSe	Lead selenide	Pb-Se	2.40	0.01	-0.64	d
PbBr	Lead bromide	Pb-Br	2.55	0.07	0.02	a
PbBr2	Lead dibromide	Pb-Br	2.60	0.00	-0.06	KKK
		Br-Pb-Br	99.20	-4.92	1.21
PbC12H24Br2O6	18-Crown-6-dibromo-lead(II) (RUM	Pb-Br	2.92	-0.09	-0.19	jj
		Pb-O	2.78	-0.23	0.13
PbC4H12S2Br2O2	Pb(II)Br2O2 (BRDMSP)	Pb-Br	2.93	0.00	0.00	jj
		Br-Pb-Br	90.51	0.00	0.00
		Pb-O	2.50	0.00	0.00
		O-Pb-Br	82.27	0.00	0.01
PbI	Lead iodide	Pb-I	2.74	0.04	-0.23	a
PbI2	Lead diiodide	Pb-I	2.80	-0.04	-0.33	KKK
		I-Pb-I	99.70	-2.34	17.18
PbC12H24I2O6	18-Crown-6-diiodo-lead(II) (TOJP	Pb-I	3.17	-0.15	-0.40	jj
		Pb-O	2.75	-0.24	0.21
PbC12H24I2O6	Pb(II)O6I2 (TOJPIR)	Pb-I	3.17	-0.16	-0.40	jj
		Pb-O	2.75	-0.14	0.22
		O-Pb-I	87.72	0.72	-1.46
PbI6	Pb(IV)I6(2-) (FOLLIB)	Pb-I	3.23	-0.34	-0.35	jj
Pb2C6H18	Hexamethyldiplumbane	Pb-Pb	2.88	-0.05	0.03	MMM
		Pb-C	2.25	-0.11	-0.15
		Pb-Pb-C	109.50	-4.27	2.44
Pb2B2C20H30F8	Pb(II)(Cp)F2 (VALVOT)	Pb-F	2.83	-0.02	0.00	jj
		F-Pb-F	88.52	-1.65	0.00
		Pb-C	2.58	0.08	0.00
Pb2C8N4S4	Pb(II)S3 (GIGBIH)	Pb-S	2.97	-0.18	-0.25	jj
		Pb-S	2.67	-0.01	-0.02
		S-Pb-S	86.11	7.55	9.19
BiH3	Bismuth trihydride	Bi-H	1.78	-0.09	0.03	m
		H-Bi-H	86.23	5.73	10.82
BiC3H9	Trimethylbismuth	Bi-C	2.27	0.03	0.08	ppp
		C-Bi-C	96.70	-1.64	-0.37
BiNH4	BiH2-NH2	Bi-N	2.51	-0.23	-0.55	m
BiC6H9O6	Bi(III)O6 (JUJVUF)	Bi-O	2.34	0.02	0.02	jj
		Bi-O	2.18	-0.01	-0.02
		O-Bi-O	67.50	-3.14	1.22
BiC16N4H24O8	Bi(III)O4N4(-) (HADRAG)	Bi-N	2.52	0.17	0.37	jj
		N-Bi-N	110.93	-9.37	-15.74
		Bi-O	2.58	-0.24	-0.30
BiC5H5O10	Bi(III)O10(2-) (CAVZUU)	Bi-O	2.47	-0.04	0.00	jj
		Bi-O	2.17	0.02	0.00
		O-Bi-O	68.33	-3.34	0.02
BiC2H6F	Dimethyl bismuth fluoride	Bi-F	2.42	-0.25	-0.16	m
		Bi-C	2.44	-0.16	-0.13
BiC24H20F	Bi(V)C4F (ILIKAP)	Bi-F	2.22	0.02	0.10	jj
		Bi-C	2.21	0.00	-0.03
		C-Bi-F	83.56	3.27	0.91
		Bi-C	2.26	-0.01	0.01
BiF2	Bismuth difluoride	Bi-F	2.38	-0.23	-0.13	m
BiC18H15F2	Bi(V)C2F3 (XULFUF)	Bi-F	2.53	-0.35	-0.26	jj
		Bi-C	2.21	0.00	-0.08
		C-Bi-F	90.59	-0.54	-0.53
BiF3	Bismuth trifluoride	Bi-F	2.38	-0.22	-0.12	m
		F-Bi-F	100.38	-4.91	-5.16
BiF4	BiF4(-)	Bi-F	2.47	-0.30	-0.19	m
BiF6	BiF6(-)	Bi-F	2.47	-0.24	-0.25	m
BiC4N2H12S2	Bi(III)N2S2(+) (FEMWUP)	Bi-S	2.58	-0.03	0.05	jj
		Bi-N	2.48	0.09	0.01
		N-Bi-S	75.55	3.19	0.42
BiC6N3H18S3	Bi(III)N3S3 (FEMWOJ)	Bi-S	2.75	-0.17	-0.05	jj
		Bi-N	2.81	0.17	-0.05
		N-Bi-S	70.14	2.08	0.38
BiC10H11S4O2	Bi(III)S4C (BENXUN)	Bi-S	2.65	0.08	0.17	jj
		Bi-S	2.96	-0.10	0.12
		S-Bi-S	63.67	1.52	-2.94
		Bi-C	2.25	0.01	0.06
BiC6N12H24S6	Bi(III)S6(3+) (CLBITU)	Bi-S	2.85	-0.13	0.01	jj
BiC6H9S6O3	Bi(III)S6 (FEXMAW)	Bi-S	2.72	0.02	0.09	jj
		Bi-S	2.93	-0.13	0.11
		S-Bi-S	63.74	1.79	-2.71
BiC2H6Cl	Dimethyl bismuth chloride	Bi-Cl	2.73	-0.30	-0.13	m
		Bi-C	2.45	-0.16	-0.12
		C-Bi-Cl	92.41	0.74	0.77
BiC4H10Cl	Diethyl bismuth chloride	Bi-Cl	2.74	-0.31	-0.13	m
		Bi-C	2.49	-0.16	-0.10
BiC11N2H11Cl2	Bi(III)N2CCl2 (EDIGED)	Bi-Cl	2.71	-0.26	-0.03	jj
		Cl-Bi-Cl	112.64	2.43	2.58
		Bi-C	2.23	0.08	0.12
		Bi-N	2.48	0.09	0.03
BiCl3	Bi(III)Cl3 (FAPYOK)	Bi-Cl	2.50	-0.11	0.05	jj
		Bi-Cl	2.49	-0.10	0.06
		Cl-Bi-Cl	92.50	2.91	2.15
BiCl3	Bismuth trichloride	Bi-Cl	2.42	-0.04	0.14	iiii
		Cl-Bi-Cl	97.30	-1.19	-1.48
BiCl4	Bi(III)Cl4(-) (FERCBI10)	Bi-Cl	2.75	-0.30	-0.10	jj
		Cl-Bi-Cl	175.84	-66.60	-65.78
		Bi-Cl	2.52	-0.07	0.13
			92.31	17.48	15.63
BiCl4	BiCl4(-)	Bi-Cl	2.81	-0.36	-0.16	m
BiCl6	BiCl6(-)	Bi-Cl	2.76	1.44	-0.22	m
BiCl6	Bi(III)Cl6(3-) (ACAYAF)	Bi-Cl	2.73	-0.11	0.10	jj
BiC16N2H15Br2	Bi(III)CN2Br2 (BIMHUA)	Bi-Br	2.85	-0.09	0.02	jj
		Bi-N	2.55	0.01	-0.12
		N-Bi-Br	90.49	-19.99	-28.16
		Bi-C	2.28	-0.02	0.07
BiBr3	Bismuth tribromide	Bi-Br	2.63	0.00	0.04	ppp
		Br-Bi-Br	100.00	-5.68	-4.17
BiC8H20S4Br3	Bi(III)S4Br3 (KIGDIN)	Bi-Br	2.81	-0.08	0.02	jj
		Br-Bi-Br	98.97	3.04	-6.30
		Bi-S	2.96	-0.09	0.07
		S-Bi-Br	76.82	1.38	4.26
BiBr6	Bi(III)Br6(3-) (DEJLUZ)	Bi-Br	2.75	0.13	0.29	jj
		Bi-Br	3.01	-0.12	0.05
BiI2Cl2	Bi(III)Cl2I2(-) (JAJFEG)	Bi-I	2.82	0.28	0.43	jj
		I-Bi-I	95.62	5.58	13.96
		Bi-Cl	2.67	-0.24	-0.02
BiI3	Bismuth triiodide	Bi-I	3.03	0.04	0.02	m
		I-Bi-I	102.30	-10.34	-5.73
BiC15N3H15I3	Bi(III)N3I3 (BIMCUV)	Bi-I	3.04	0.19	0.33	jj
		I-Bi-I	91.56	6.07	2.55
		Bi-N	2.53	-0.02	-0.09
BiI4	Bi(III)I4(-) (PICIBI)	Bi-I	2.86	0.27	0.25	jj
		Bi-I	3.14	0.00	0.13
		I-Bi-I	89.10	21.39	3.92
BiI6	Bi(III)I6(3-) (KOQCAU)	Bi-I	3.09	0.20	0.35	jj
Bi2F4	Bi2F4	Bi-Bi	3.02	0.19	0.09	m
		Bi-F	2.43	-0.19	-0.09
Bi2F6	Bi2F6	Bi-Bi	4.22	-0.42	-0.07	m
		Bi-F	2.58	-0.35	-0.24
		Bi-F	2.38	-0.23	-0.13
Bi2Cl4	Bi2Cl4	Bi-Bi	3.09	0.32	0.44	m
		Bi-Cl	2.73	-0.32	-0.15
Bi2Cl6	Bi2Cl6	Bi-Bi	4.68	-0.72	-0.14	m
		Bi-Cl	2.79	-0.30	-0.17
		Bi-Cl	2.69	-0.30	-0.13
Bi2Cl8	Bi(III)Cl5(2-) (KAMWOK)	Bi-Bi	4.45	-0.38	0.01	jj
		BiCl	2.79	-0.21	0.03
		Cl-Bi-Bi	40.77	-1.51	-1.92
		Bi-Cl	2.51	-0.02	0.17
Bi2Br4	Bi2Br4	Bi-Bi	3.08	0.31	0.45	m
		Bi-Br	2.88	-0.25	-0.17
Bi2Br6	Bi2Br6	Bi-Bi	4.31	-0.26	0.15	m
		Bi-Br	3.12	0.19	1.14
		Bi-Br	2.86	-0.23	-0.21
Bi2I4	Bi2I4	Bi-Bi	3.10	0.27	0.35	m
		Bi-I	3.04	0.02	0.05
Bi2I6	Bi2I6	Bi-Bi	4.37	-0.43	0.25	m
		Bi-I	3.30	-0.23	-0.18
		Bi-I	3.04	0.04	0.04

a: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).

b: Calculated using the HF 6-31G(d) basis set in Gaussian 03: M.J. Frisch, et. al., Gaussian 03, Gaussian Inc, Pittsburg, (2003).

c: M. Sana, G. Leroy, and C. Wilante, Organometallics, 10, 264 (1991)

d: M. D. Harmony, V. W. Laurie, R. L. Kuczkowsky, R. H. Schwendeman, D. A. Ramsay, F. J. Lovas, W. J. Lafferty, A. G. Maki, J. Phys. Chem. Ref. Data 8, 3 (1979).

e: G. Herzberg, J. W. C. Johns, Proc. R. Soc. London, Ser. A., 298, 142 (1967).

f: L. A. Curtiss, J. A. Pople, J. Chem. Phys., 90, 4314 (1989).

g: J. H. Callomon, E. Hirota, T. Iijima, K. Kuchitsu, W. J. Lafferty, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 15, Springer, Berlin (1977).

h: D. Schwock, A. B. Burg, R. A. Beaudet, Inorg. Chem. 16, 3219 (1977).

i: E. Switkes, I. R. Epstein, J. A. Tossell, R. M. Stevens, W. N. Lipscomb, J. Am. Chem. Soc., 92, 3837 (1970).

j: nI. R. Epstein, J. A. Tossell, E. Switkes, I. R. M. Stevens, W. N. Lipscomb, Inorg. Chem., 10, 171, (1971).

k: E. A. Laws, R. M. Stevens, W. N. Lipscomb, J. Am. Chem. Soc., 94, 4461 (1972).

l: G. Herzberg, "Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules," Van Nostrand, New York, N.Y., 1966.

m: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.

n: R. A. Beaudet, R. L. Poynter, J. Chem. Phys., 53, 1899 (1970).

o: A. G. Maki, R. A. Toth, J. Mol. Spectr., 17, 136 (1965).

p: W. M. Stigliani, V. W. Laurie, J. C. Li, J. Chem. Phys., 62, 1890 (1975).

q: R. A. Bonham, L. S. Bartell, J. Am. Chem. Soc., 81, 3491 (1959).

r: O. Bastiansen, F. N. Fritsch, K. Hedberg, Acta. Crystallogr., 17, 538 (1964).

s: D. R. Lide, D. Christensen, J. Chem. Phys., 35, 1374 (1961).

t: L. S. Bartell and B. L. Carroll, J. Chem. Phys., 42, 3076 (1965).

u: J. H. Callomon, B. P. Stoicheff, Can. J. Phys., 35, 373 (1957).

v: A. Almenningen, O. Bastiansen, M. Traetteberg, Acta Chem. Scand., 15, 1557 (1961).

w: T. Fukuyama, K. Kuchitsu, Y. Morino, Bull. Chem. Soc. Jap., 42, 379 (1969).

x: K. W. Cox, M. D. Harmony, G. Nelson, K. B. Wiburg, J. Chem. Phys., 50, 1976 (1969).

y: W. Haugen, M. Traetteberg, Acta Chem. Scand., 20, 1226 (1966).

z: A. Almenningen, I. M. Anfinsen, A. Haaland, Acta Chem. Scand., 24, 43 (1970).

aa: S. Meiboom, L. C. Snyder, J. Chem. Phys., 52, 3857 (1970).

bb: L. R. H. Scharpen, V. W. Laurie, J. Chem. Phys., 39, 1972 (1963).

cc: D. R. Lide, J. Chem. Phys., 33, 1519 (1960).

dd: G. Dallinga, R. K. van der, Draai, and L. H. Toneman,Recl. Trav. Chim. Pays-Bas, 87, 897 (1968).

ee: 6-31G(d) basis set using the B3LYP Density Functional

ff: K. Tamagawa, T. Iijima, M. Kimura, J. Mol. Struct., 30, 243 (1976).

gg: P. A. Baron, R. D. Brown, F. R. Burden, P. J. Domaille, J. E. Kent, J. Mol. Spectrosc., 43, 401 (1970).

hh: J. F. Chiang, S. H. Bauer, J. Am. Chem. Soc., 91, 1898 (1969).

ii: O. Bastiansen, L. Fernholt, H. M. Seip, H. Kambara, K. Kuchitsu, J. Mol. Struct., 18, 163 (1973).

jj: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)

kk: D. W. J. Cruickshanck and R. A. Sparks, Proc. R. Soc. London, Ser. A. 258, 270 (1960).

ll: D. G. Lister, J. K. Tyler, J. H. Hog, N. W. Larson, J. Mol. Struct., 23, 253 (1974).

mm: D. R. Lide, J. Chem. Phys., 27, 343 (1957).

nn: C. C. Costain, J. Chem. Phys., 29, 864 (1958).

oo: L. Nygaard, J. T. Nielsen, J. Kirchheimer, G. Maltesen, J. Rastrup-Andersen, and G. O. Sorensen, J. Mol. Struct., 3, 491, (1969).

pp: J. E. Wollrab, V. W. Laurie, J. Chem. Phys., 48, 5058 (1968).

qq: J. E. Wollrab, V. W. Laurie, J. Chem. Phys., 51, 1580 (1969).

rr: G. O. Sorensen, L. Mahler, J. Rastrup-Andersen, J. Mol. Struct., 20, 119 (1974).

ss: G. Herzberg, "Molecular Spectra and Molecular Structure I. Spectra of Diatomic Molecules," 2nd ed, Van Nostrand, New York, N.Y., 1950.

tt: W. Harshbarger, G. Lee, R. F. Porter, S. H. Bauer, Inorg. Chem. 8, 1683 (1969).

uu: J. E. Lancaster, B. J. Stoicheff, Can. J. Phys., 34, 1016 (1965).

vv: C. Yamada, M. Fujitake, E. Hirota, J. Chem. Phys., 3033, 90 (1989).

ww: D. R. Stull, H. Prophet, Natl. Stand., Ref. Data Ser. (U.S., Natl. Bur. Stand.) NSRDS-NBS 37, 1971.

xx: K. Takagi, T. Oka, J. Phys. Soc. Jap., 18, 1174 (1963).

yy: R. M. Lees, J. G. Baker, J. Chem. Phys., 48, 5299 (1968).

zz: A. P. Cox, L. F. Thomas, J. Sheridan, Spectrochim. Acta, 15, 542 (1959).

aaa: R. W. Kilb, C. C. Lin, E. B. Wilson, Jr., J. Chem. Phys., 26, 1695 (1957).

bbb: U. Blukis, P. H. Kasai, R. J. Myers, J. Chem. Phys., 38, 2753 (1963).

ccc: K. Kuchitsu, T. Fukuyama, Y. Marino, J. Mol. Struct., 1, 463 (1968).

ddd: R. Nelson, L. Pierce, J. Mol. Spectrosc. 18, 344 (1965).

eee: B. Bak, D. Christensen, W. B. Dixon, L. Hansen-Nygarrd, J. Rastrup-Anderson, M. Shottlander, J. Mol. Spectrosc., 9, 124 (1962).

fff: R. Janoschek, IUPAC Report, (2001).

ggg: D. R. Johnson, F. J. Lovas, W. H. Kirchhoff, J. Phys. Chem. Ref. Data, 1, 1011 (1972).

hhh: W. C. Oelfke, W. Gordy, J. Chem. Phys., 51, 5336 (1969).

iii: G. H. Kwei, R. F. Curl, J. Chem. Phys., 32, 1592 (1960).

jjj: R. F. Curl, Jr. J. Chem. Phys., 30, 1529 (1959).

kkk: R. Janoschek, Sulfur Rep., 21 (1999).

lll: J. Trotter, Acta Crystallogr., 13, 86 (1960).

mmm: J. O. Morley, J. Chem. Soc. Perkin Trans. II, (1987), (in press).

nnn: J. K. Tyler, J. Mol. Spectrosc., 11, 39 (1963).

ooo: C. H. Chang, R. F. Porter, S. H. Bauer, Inorg. Chem., 8, 1689 (1969).

ppp: "Structural Inorganic Chemistry", A. F. Wells, Clarendon Press, Oxford, 1984.

qqq: J. H. Callomon, E. Hirota, K. Kuchitsu, W. J. Lafferty, A. G. Maki, C. S. Pote, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 7, Springer, Berlin

rrr: No reference available, but data are consistent with other data.

sss: G. A. Kuipers, D. F. Smith, A. N. Nielsen, J. Chem. Phys., 25, 275 (1956).

ttt: J. L. Duncan, J. Mol. Struct., 6, 447 (1970).

uuu: J. K. Tyler, J. Sheridan, Trans. Faraday Soc., 59, 2661 (1963).

vvv: J. L. Carlos, R. R. Karl, S. H. Bauer, J. Chem. Soc., Faraday Trans. 2, 177 (1974).

www: T. Ogata, K. Fujii, M. Yoshikawa, F. Hirota, J. Am. Chem. Soc., 109, 7639 (1987).

xxx: D. Christen, D. G. Lister, J. Sheridom, J. Chem. Soc., Faraday Trans. 2, 70, 1953 (1974).

yyy: "CRC Handbook of Chemistry and Physics," 85th Edition, D. R. Lide, (Ed.), CRC Press, Boca Raton, FL, 2005.

zzz: S. G. W. Ginn, J. K. Kennedy, J. Overend, J. Chem. Phys., 48, 1571 (1968).

aaaa: A. S. Rodgers, J. Chao, R. C. Wilhoit, B. J. Zwolinski, J. Phys. Chem. Ref. Data, 3, 117 (1974).

bbbb: Private Communication by Dr Dave Dixon, DuPont.

cccc: K. P. Huber, G. Herzberg, "Molecular Spectra and Molecular Structure," IV. "Constants for Diatomic Molecules," Van Nostrand, Reinhold, New York, (1979).

dddd: M. Buhl, W. Thiel, unpublished results of G2 calculation (1995).

eeee: Molecular Constants of Inorganic Compounds, K. S. Krasnov, Ed., Khimia, Leningrad, (1979) (in Russian).

ffff: A. Schulz, B. J. Smith, L. Radom, J. Phys. Chem., 103, 7522 (1999).

gggg: Hirota, T. Iijima, K. Kuchitsu, W. J. Lafferty, and D. A. Ramsay, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 21, Springer, Berlin (1992).

hhhh: P. Gardner S. R. Preston, R. Siertsema, and F. Steele, J. Comp. Chem., 14, 1523 (1993).

iiii: M. Hargittai, Coord. Chem. Rev., 91, 35 (1988).

jjjj: J. H. Meadows, H. F. Schaefer III, J. Am. Chem. Soc., 98, 4383 (1976).

kkkk: M. Hayashi, S. Kaminaka, M. Fujitake, S. Miyazaki, J. Mol. Spect., 135, 289 (1989).

llll: K. C. Shotton, A. G. Lee, W. J. Jones, J. Raman Spectrosc., 1, 243 (1973).

mmmm: O. I. Osman, B. J. Whitaker, N. P. C. Simmons, D. R. M. Walton, J. F. Nixon, H. W. Krojo, J. Mol. Spect., 137, 373 (1989).

oooo: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).

pppp: L.E. Sutton, "Tables of Interatomic Distances and Configurations in Molecules and Ions," Special Publication No. 11 + 18, Chem. Soc., London (1958), (1965).

qqqq: R. W. Kilb, J. Chem. Phys., 23, 1736 (1955).

rrrr: B. Bak, D. Christensen, L. Hansen-Nygarrd, J. Rastrup-Anderson, J. Mol. Spectrosc., 7, 58 (1961).

ssss: D. W. W. Anderson, D. W. H. Rankin, A. Robertson, J. Mol. Struct., 14 385 (1972).

tttt: J. Nakagawa, Y. Shiko, M. Hayashi, J. Mol. Spect., 122, 1 (1987).

uuuu: G. Winnewisser, M. Winnewisser, W. Gordy, J. Chem. Phys., 49, 3465 (1968).

vvvv: R. Sutter, H. Driezler, F. Z. Rudolph, Naturforschung A, 20 1676 (1965).

wwww: J. Donohue, A. Caron, E. Goldish, J. Am. Chem. Soc., 83, 3748 (1961).

xxxx: A. Caron, J. Donohue, Acta Crystallogr., 18, 562 (1965).

yyyy: H. Jones, M. Takami, J. Sheridan, Z. Naturforsch., A33, 156 (1978).

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aaaaa: Hydrogen bonded system Hydrogen bond energies are "guestimates".

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