National Institute of Standards and Technology

Computational Chemistry Comparison and Benchmark DataBase
Release 22	May 2022
NIST Standard Reference Database 101

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
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XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities

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III.F.1. (I.A.4.)

List of which calculations are completed at mPW1PW91 /cc-pV(T+d)Z

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count	Species	Name	State	Conformation
1	H	Hydrogen atom	1S	Kh
2	H+	Hydrogen atom cation		Kh
3	D2	Deuterium diatomic	1Σg	D∞h
4	H2	Hydrogen diatomic	1Σg	D∞h
5	H2-	hydrogen diatomic anion	2Σu+	D∞h
6	H2+	Hydrogen cation	2Σg+	D∞h
7	HD	Deuterium hydride	1Σg	D∞h
8	H3+	hydrogen trimer cation	1A1'	D3h
9	He	Helium atom	1S	Kh
10	He2+	helium diatomic cation	2Σu	D∞h
11	Li	Lithium atom	2S	Kh
12	Na	Sodium atom	2S	Kh
13	Na+	Sodium atom cation	1S	Kh
14	LiH	Lithium Hydride	1Σ	C∞v
15	LiH-	lithium hydride anion	2Σ	C∞v
16	LiH+	lithium hydride cation	2Σ	C∞v
17	NaH	sodium hydride	1Σ	C∞v
18	NaH-	sodium hydride anion	2Σ	C∞v
19	NaH+	sodium hydride cation	2Σ	C∞v
20	Be	Beryllium atom	1S	Kh
21	Mg	Magnesium atom	1S	Kh
22	BeH	beryllium monohydride	2Σ	C∞v
23	BeH-	berylium monohydride anion	1Σ	C∞v
24	BeH+	beryllium monohydride cation	1Σ	C∞v
25	MgH	magnesium monohydride	2Σ	C∞v
26	MgH-	magnesium monohydride anion	1Σ	C∞v
27	MgH+	magnesium monohydride cation	1Σ	C∞v
28	BeH2	beryllium dihydride	1Σg	D∞h
29	MgH2	magnesium dihydride	1Σg	D∞h
30	B	Boron atom	2P	Kh
31	BH	Boron monohydride	1Σ	C∞v
32	BH-	boron monohydride anion	2Π	C∞v
33	BH+	boron monohydride cation	2Σ	C∞v
34	AlH	aluminum monohydride	1Σ	C∞v
35	BH2	boron dihydride	2A1	C2v
36	BH3	boron trihydride	1A1'	D3h
37	BH4-	borohydride anion	1A1	Td
38	C	Carbon atom	3P0	Kh
39	Si	Silicon atom	3P	Kh
40	CH	Methylidyne	2Π1/2	C∞v
41	CH-	methylidyne anion	3Σ	C∞v
42	CH+	Methylidyne cation	1Σ	C∞v
43	CH2	Methylene	3B1	C2v
44	CH2	Methylene	1A1	C2v
45	CH2-	methylene anion	2B1	C2v
46	CH2+	methylene cation	2A1	C2v
47	SiH2	silicon dihydride	1A1	C2v
48	SiH2	silicon dihydride	3B1	C2v
49	CH3	Methyl radical	2A1	D3h
50	CH3-	methyl anion	1A1	C3v
51	SiH3	Silyl radical	2A1	C3v
52	CH4	Methane	1A1	Td
53	SiH4	Silane	1A1	Td
54	P	Phosphorus atom	4S	Kh
55	NH	Imidogen	3Σ-	C∞v
56	NH	Imidogen	1Σ+	C∞v
57	NH-	Imidogen anion	2Π	C∞v
58	NH+	imidogen cation	2Π	C∞v
59	PH	phosphorus monohydride	1Σ+	C∞v
60	ND2	Amidogen-d2	2B1	C2v
61	NH2	Amino radical	2B1	C2v
62	NH2-	amino anion	1A1	C2v
63	ND3	Ammonia-d3	1A1	C3v
64	NH3	Ammonia	1A1	C3v
65	NH3+	ammonia cation	2A2"	D3h
66	PH3	Phosphine	1A1	C3v
67	NH4+	ammonium cation	1A1	Td
68	PH4+	phosphonium cation
69	O	Oxygen atom	3S	Kh
70	S	Sulfur atom	3P	Kh
71	DO	Hydroxyl-d	2Π	C∞v
72	OH	Hydroxyl radical	2Π	C∞v
73	OH-	hydroxide anion	1Σ	C∞v
74	OH+	hydoxyl cation	3Σ	C∞v
75	OH+	hydoxyl cation	1Σ	C∞v
76	HS	Mercapto radical	2Π	C∞v
77	D2O	Deuterium oxide	1A1	C2v
78	H2O	Water	1A1	C2v
79	H2O-	water anion	2A1	C2v
80	H2O+	water cation	2B1	C2v
81	HDO	Water-d1	1A1	C2v
82	H2S	Hydrogen sulfide	1A1	C2v
83	H2S+	Hydrogen sulfide cation	2B1	C2v
84	H3O+	hydronium cation	1A1	C3v
85	H3S+	Sulfonium cation	1A1	C3v
86	F	Fluorine atom	2P	Kh
87	Cl	Chlorine atom	2P	Kh
88	DF	Hydrofluoric acid-d	1Σ	C∞v
89	HF	Hydrogen fluoride	1Σ	C∞v
90	HF-	hydrogen fluoride anion	2Σ	C∞v
91	HF+	hydrogen fluoride cation	2Π	C∞v
92	HCl	Hydrogen chloride	1Σ	C∞v
93	HCl+	hydrogen chloride cation	2Π	C∞v
94	H2F+	dihydrogen fluoride cation	1A1	C2v
95	H2Cl+	dihydrogen monochloride cation	1A1	C2v
96	Ne	Neon atom	1S	Kh
97	NeH+	neon hydrogen cation	1Σ	C∞v
98	Li2	Lithium diatomic	1Σg	D∞v
99	Li2-	lithium diatomic anion	2Σu	D∞h
100	Li2+	lithium diatomic cation	2Σg	D∞h
101	NaLi	lithium sodium	1Σ	C∞v
102	NaLi-	lithium sodium anion	2Σ	C∞v
103	NaLi+	lithium sodium cation	2Σ	C∞v
104	Na2	Sodium diatomic	1Σg	D∞h
105	Na2-	sodium diatomic anion	2Σu	D∞h
106	Na2+	sodium diatomic cation	2Σg	D∞h
107	Be2-	Beryllium diatomic anion	2Πu	D∞h
108	Be2+	Beryllium diatomic cation	2Σu	D∞h
109	Mg2	Magnesium diatomic	1Σg	D∞h
110	Mg2-	magnesium diatomic anion	2ΠU	D∞h
111	Mg2+	magnesium diatomic cation	2Σu	D∞h
112	B2	Boron diatomic	3Σg	D∞h
113	B2	Boron diatomic	1Σg	D∞h
114	B2	Boron diatomic	5Σu	D∞h
115	B2-	Boron diatomic anion	4Σg	D∞h
116	BAl	Boron Aluminum	3Σ	C∞v
117	B2H6	Diborane	1Ag	D2h
118	BC-	boron monocarbide anion	3Πu	C∞v
119	BC-	boron monocarbide anion	1Σg+	C∞v
120	BC+	boron monocarbide cation	3Σ	C∞v
121	BC+	boron monocarbide cation	1Σ	C∞v
122	AlC	Aluminum carbide	4Σ	C∞v
123	C2	Carbon diatomic	1Σg+	D∞h
124	C2	Carbon diatomic	3Πu	D∞h
125	C2-	carbon diatomic anion	2Σg	D∞h
126	C2+	carbon diatomic cation	2Π	D∞h
127	SiC	silicon monocarbide	3Σ	C∞v
128	SiC	silicon monocarbide	1Σ	C∞v
129	C2H	Ethynyl radical	2Σ	C∞v
130	C2H2	Acetylene	1Σg	D∞h
131	C2H2+	acetylene cation	2Πu	D∞h
132	CCH2	vinylidene	1A1	C2v
133	C2H3	vinyl	2A'	Cs
134	C2H4	Ethylene	1Ag	D2h
135	C2H5	Ethyl radical	2A'	Cs
136	C2H6	Ethane	1A1g	D3d
137	Si2H6	disilane	1Eu	D3d
138	BeN-	Beryllium mononitride anion	1Σ	C∞v
139	BN-	boron nitride anion	2Σ	C∞v
140	BN	boron nitride	3Π	C∞v
141	BN	boron nitride	1Σ	C∞v
142	BN+	boron nitride cation	2Π	C∞v
143	AlN	Aluminum nitride	3Πi	C∞v
144	CN	Cyano radical	2Σ	C∞v
145	CN-	cyanide anion	1Σ	C∞v
146	CN+	Cyano cation	1Σ	C∞v
147	SiP	Silicon monophosphide	2Π	C∞v
148	N2	Nitrogen diatomic	1Σg	D∞h
149	N2-	nitrogen diatomic anion	2Πg	D∞h
150	N2+	diatomic nitrogen cation	2Σg	D∞h
151	P2	Phosphorus diatomic	1Σg	D∞h
152	HNC	hydrogen isocyanide	1Σ	C∞v
153	HCN	Hydrogen cyanide	1Σ	C∞v
154	HCN+	hydrogen cyanide cation	2Π	C∞v
155	NNH	Dinitrogen monohydride	2A'	Cs
156	N2H2	(E)-diazene	1Ag	C2h
157	CH2NH	Methanimine	1A'	Cs
158	CH2PH	Phosphaethene	1A'	Cs
159	CH2NH2+	methyleneamine cation	1A1	C2v
160	N2H4	Hydrazine	1A	C2
161	CH3NH2	methyl amine	1A'	Cs
162	BH3PH3	borane phosphine
163	LiO	lithium oxide	2Σ	C∞v
164	LiO-	lithium oxide anion	1Σ	C∞v
165	LiO+	lithium oxide cation	3Σ	C∞v
166	LiO+	lithium oxide cation	1Σ	C∞v
167	LiS	Lithium monosulfide	2Π	C∞v
168	NaO	sodium monoxide	2Σ	C∞v
169	NaO-	sodium oxide anion	1Σ	C∞v
170	NaO+	sodium oxide cation	3Σ	C∞v
171	BeO	beryllium oxide	1Σ	C∞v
172	BeO-	Beryllium monoxide anion	2Σ	C∞v
173	BeO+	Beryllium monoxide cation	2Π	C∞v
174	MgO	magnesium oxide	1Σ+	C∞v
175	MgO-	magnesium oxide anion	2Σ	C∞v
176	MgO+	magnesium oxide cation	2Π	C∞v
177	CaS	Calcium sulfide	1Σ	C∞v
178	BO	boron monoxide	2Σ	C∞v
179	BO-	boron monoxide anion	1Σ	C∞v
180	BO+	boron monoxide cation	1Σ	C∞v
181	CO	Carbon monoxide	1Σ	C∞v
182	CO-	carbon monoxide anion	2Π	C∞v
183	CO+	carbon monoxide cation	2Σ	C∞v
184	GeO	Germanium monoxide	1Σ	C∞v
185	SiSe	Silicon Monoselenide
186	NO	Nitric oxide	2Π	C∞v
187	NO-	nitric oxide anion	3Σ	C∞v
188	NO-	nitric oxide anion	1Δ	C∞v
189	NO+	nitric oxide cation	1Σ	C∞v
190	PO	Phosphorus monoxide	2Π	C∞v
191	PS	phosphorus sulfide	2Σ	C∞v
192	O2	Oxygen diatomic	3Σg	D∞h
193	O2-	oxygen diatomic anion	2Π	D∞h
194	O2+	diatomic oxygen cation	2Πg	D∞h
195	SO	Sulfur monoxide	3Σ	C∞v
196	S2	Sulfur diatomic	3Σg	D∞h
197	S2+	sulfur diatomic cation	2Π	D∞h
198	Se2	Selenium diatomic	3Σg	D∞h
199	LiOH	lithium hydroxide	1Σ	C∞v
200	NaOH	sodium hydroxide	1Σ	C∞v
201	BeOH	beryllium monohydroxide	2A'	Cs
202	MgOH	magnesium hydroxide	2A'	Cs
203	HBO	Boron hydride oxide	1Σ	C∞v
204	HCO	Formyl radical	2A'	Cs
205	HNO	Nitrosyl hydride	1A'	Cs
206	HO2	Hydroperoxy radical	2A"	Cs
207	HSO+	Sulfur Monoxide, S-protonated
208	SOH	Sulfur Hydroxide
209	SOH+	Sulfur Monoxide, protonated
210	H2CO	Formaldehyde	1A1	C2v
211	H2CO+	formaldehyde cation	2B2	C2v
212	H2CS	Thioformaldehyde	1A1	C2v
213	H2CSe	Selenoformaldehyde
214	H2O2	Hydrogen peroxide	1A	C2
215	H2S2	Disulfane	1A	C2
216	H2S2+	hydrogen disulfide cation	2Bg	C2h
217	CH2OH	Hydroxymethyl radical	2A	C1
218	CH2OH+	hydroxymethyl cation	1A'	Cs
219	CH3O	Methoxy radical	2A'	C1
220	H2CSH+	Thioformaldehyde, protonated	1A'	Cs
221	NH2OH	hydroxylamine	1A'	Cs
222	H2POH	Phosphinous acid	1A1'	CS trans
223	H2POH	Phosphinous acid	1A1'	CS cis
224	H3PO	Phosphine oxide	1A1	C3v
225	CH3OH	Methyl alcohol	1A'	Cs
226	CH3SH	Methanethiol	1A'	Cs
227	CH3SH2+	protonated methylsulfide	1A'	Cs
228	LiF	lithium fluoride	1Σ	C∞v
229	LiCl	lithium chloride	1Σ	C∞v
230	NaF	sodium fluoride	1Σ	C∞v
231	NaF-	sodium fluoride anion	2Σ	C∞v
232	NaF+	sodium fluoride cation	2Σ	C∞v
233	LiF-	lithium fluoride anion	2Σ	C∞v
234	LiF+	lithium fluoride cation	2Π	C∞v
235	BeF	Beryllium monofluoride	2Σ	C∞v
236	BeF-	Beryllium monofluoride anion	1Σ	C∞v
237	BeF+	Beryllium monofluoride cation	1Σ	C∞v
238	MgF	Magnesium monofluoride	2Σ	C∞v
239	MgF-	magnesium fluoride anion	1Σ	C∞v
240	MgF+	magnesium fluoride cation	1Σ	C∞v
241	BF	Boron monofluoride	1Σ	C∞v
242	BF-	Boron monofluoride anion	2Π	C∞v
243	BF+	Boron monofluoride cation	2Σ	C∞v
244	AlCl	Aluminum monochloride	1Σ	C∞v
245	CF	Fluoromethylidyne	2Π	C∞v
246	CF-	carbon monofluoride anion	3Σ	C∞v
247	CF-	carbon monofluoride anion	1Σ	C∞v
248	CF+	carbon monofluoride cation	1Σ	C∞v
249	SiF	silicon monofluoride	2Π	C∞v
250	SiF+	silicon monofluoride cation	1Σ	C∞v
251	NF	nitrogen fluoride	3Σ	C∞v
252	NF	nitrogen fluoride	1Σ	C∞v
253	NF-	nitrogen monofluorine anion	2Π	C∞v
254	NF+	nitrogen monofluoirde cation	2Π	C∞v
255	NCl	nitrogen monochloride	3Σ	C∞v
256	FO	Oxygen monofluoride	2Π	C∞v
257	FO-	flourine oxide anion	1Σ	C∞v
258	FO+	fluorine monoxide cation	3Σ	C∞v
259	ClO	Monochlorine monoxide	2Π	C∞v
260	SF	Monosulfur monofluoride	2Π	C∞v
261	SF+	sulfur monofluoride cation	3Σ	C∞v
262	SCl	sulfur monochloride	2Π	C∞v
263	SCl+	sulfur monochloride cation	3Σg	C∞v
264	SBr	Sulfur monobromide radical
265	F2	Fluorine diatomic	1Σg	D∞h
266	F2-	flourine diatomic anion	2Σu	D∞h
267	F2+	flourine diatomic cation	2Πg	D∞h
268	ClF	Chlorine monofluoride	1Σ+	C∞v
269	Cl2-	chlorine diatomic anion	2Σu	D∞h
270	Cl2+	chlorine diatomic cation	2Πg	D∞h
271	HCF	Fluoromethylene	1A'	Cs
272	HOF	Hypofluorous acid	1A'	Cs
273	CH2Cl	chloromethyl radical	2A'	Cs
274	CH3F	Methyl fluoride	1A1	C3v
275	CH3Cl	Methyl chloride	1A1	C3v
276	SiH3Cl	chlorosilane	1A1	C1
277	C3	carbon trimer	1Σg	D∞h
278	C3H3	Propargyl radical	2B1	Cs
279	CH2CCH2	allene	1A1	D2d
280	CH3CCH	propyne	1A'	C3v
281	C3H6	Cyclopropane	1A1'	D3h
282	CH2CHCH3	Propene	1A'	Cs
283	C3H7	n-Propyl radical	2A"	C1
284	C3H8	Propane	1A1	C2v
285	Si3H8	trisilane
286	HN3	hydrogen azide	1A'	Cs
287	CH2NN	diazomethane	1A1	C2v
288	CH3CN	Acetonitrile	1A1	C3v
289	CH3NC	methyl isocyanide	1A1	C3v
290	NHCHNH2	aminomethanimine	1A	C1
291	C2H5N	Aziridine	1A'	C1
292	CH3CH2NH2	Ethylamine	1A'	Cs
293	CH3NHCH3	Dimethylamine	1A'	Cs
294	Li2O	dilithium oxide	1Σg	D∞h
295	Li2S	dilithium sulfide	1ΣG	D∞h
296	Li2S	dilithium sulfide	1A1	C2v
297	BO2	Boron dioxide	2A'	D∞h
298	N2O	Nitrous oxide	1Σ	C∞v
299	NNS	Nitrogen sulfide	1Σ	C∞v
300	CO2	Carbon dioxide	1Σg	D∞h
301	OCS	Carbonyl sulfide	1Σ	C∞v
302	SiS2	Silicon disulfide	1ΣG	D∞h
303	NO2	Nitrogen dioxide	2A1	C2v
304	NSO	sulfinyl amidogen
305	SNO	Nitrogen oxide sulfide
306	O3	Ozone	1A1	Cs
307	SO2	Sulfur dioxide	1A1	C2v
308	S3	Sulfur trimer
309	S3+	Sulfur trimer cation	2B2	C2v
310	HCCO	ketenyl radical	2A"	Cs
311	HCNO	fulminic acid	1Σ	C∞v
312	HNCO	Isocyanic acid	1A'	Cs
313	HOCN	cyanic acid	1A'	Cs
314	HCO2-	formate anion	1A1	C2v
315	HOCO	Hydrocarboxyl radical	1A'	cis
316	HOCO	Hydrocarboxyl radical	1A'	trans
317	HNO2	Nitrous acid	1A'	Cs
318	CH2CO	Ketene	1A1	C2v
319	HCCOH	ethynol	1A'	Cs
320	CH2CS	Thioketene
321	CH2O2	Dioxirane	1A1	C2v
322	HCOOH	Formic acid	1A'	Cs
323	HSSSH	trisulfane	1A	C2
324	HSSSH	trisulfane	1A'	Cs
325	CH3CO	Acetyl radical	2A'	Cs
326	CHONH2	formamide	1A'	Planar
327	CH3OO	methylperoxy radical	2A"	Cs
328	C2H4O	Ethylene oxide	1A1	C2v
329	CH2CHOH	ethenol	1A'	Cs
330	CH3CHO	Acetaldehyde	1A'	Cs
331	C2H4S	Thiirane	1A1	C2v
332	CH3CHS	Thioacetaldehyde	1A'	C1
333	CH3OOH	Methyl peroxide	1A	C1
334	CH3SSH	Hydrogen methyl disulfide
335	CH3CH2OH	Ethanol	1A'	Cs
336	CH3OCH3	Dimethyl ether	1A1	C2v
337	CH3CH2SH	ethanethiol	1A'	Cs
338	FCN	Cyanogen fluoride	1Σ	C∞v
339	FNO	Nitrosyl fluoride	1A'	Cs
340	FNS	Thionitrosyl fluoride	1A'	Cs
341	FSN	Thiazyl fluoride	1A'	Cs
342	OPCl	Phosphorus oxychloride
343	CF2	Difluoromethylene	1A1	D∞h
344	GeCl2	Germanium dichloride	1A1	C2v
345	FOO	Dioxygen monofluoride radical	2A"	Cs
346	OClO	Chlorine dioxide	2B1	D∞h
347	ClSO	Sulfur chloride oxide	2A"	Cs
348	NF2	Difluoroamino radical	2B1	C2v
349	FClO	chlorosyl fluoride	1A'	Cs
350	F2O	Difluorine monoxide	1A1	C2v
351	ClOF	Chlorine hypofluorite	1A'	Cs
352	SF2	sulfur difluoride	1A1	C2v
353	SCl2	Sulfur dichloride	1A1	C2v
354	SeCl2	Selenium Dichloride
355	SBr2	Sulfur dibromide
356	SeBr2	Selenium dibromide
357	HCCF	Fluoroacetylene	1Σ	C∞v
358	HFCO	formyl fluoride	1A'	Cs
359	BHF2	Difluoroborane	1A1	C2v
360	CH2F2	Methane, difluoro-	1A1	C2v
361	CH2Cl2	Methylene chloride	1A1	C2v
362	CH2CHF	Ethene, fluoro-	1A'	Cs
363	C2H5F	fluoroethane	1A'	Cs
364	C4	Carbon tetramer	3Σg	D∞h
365	C4H2	Diacetylene	1Σg	D∞h
366	C2H3CCH	1-Buten-3-yne	1A'	C1
367	H2CCCCH2	Butatriene	1Ag	D2h
368	C4H6	1-Methylcyclopropene	1A	C1
369	C4H6	Cyclobutene	1A1	C2v
370	C4H6	Methylenecyclopropane	1A1	C2v
371	CH2CCHCH3	1,2-Butadiene	1A'	C1
372	CH2CHCHCH2	1,3-Butadiene	1Ag	C2h
373	CH3CCCH3	2-Butyne	1A1'	D3h
374	CH2C(CH3)CH3	1-Propene, 2-methyl-	1A1	C2v
375	CH3CHCHCH3	2-Butene, (E)-	1Ag	C2h
376	CH3CHCHCH3	2-Butene, (Z)-	1A1	C2v
377	C(CH3)3	Tert-butyl radical	2A"	C3v
378	CH2CH(CH3)2	Isobutyl radical	2A'	C1
379	CH3CHCH2CH3	2-Butyl radical	1A	C1
380	CH3CH(CH3)CH3	Isobutane	1A1	C3v
381	CH3CH2CH2CH3	Butane	1Ag	Anti
382	C2N2	Cyanogen	1Σg	D∞h
383	HCCCN	Cyanoacetylene	1Σ	C∞v
384	C3H3N	acrylonitrile	1A'	Cs
385	C3H7N	Cyclopropylamine	1A'	C1
386	C4H8	cyclobutane	1A1	D2d
387	C2H8N2	Ethylenediamine	1Ag	C2h
388	CH3CH(NH2)CH3	2-Propanamine	1A'	Cs
389	N(CH3)3	Trimethylamine	1A1	C3v
390	B2O2	Diboron dioxide	1Σg	D∞h
391	S2N2	Disulfur dinitride	1AG	D2h
392	CO3--	carbonate	1A1'	D3h
393	CS3--	Carbonotrithioate
394	NO3	Nitrogen trioxide	2A1'	all bonds equal
395	SO3	Sulfur trioxide	1A1'	D3h
396	S4	Sulfur tetramer
397	S4	Sulfur tetramer
398	S4	Sulfur tetramer
399	HNO3	Nitric acid	1A'	Cs
400	C2H2O2	Ethanedial	1Ag	C2h
401	CH3COO-	acetate anion	1A'	eclipsed
402	CH3NO2	Methane, nitro-	1A'	Cs
403	CH3ONO	Methyl nitrite	1A'	C1
404	H3AlO3	Aluminum hydroxide
405	C3H4O	allenol	1A'	Cs
406	C3H4O	Cyclopropanone	1A1	C2v
407	CH2CHCHO	Acrolein	1A'	Cs
408	NH2CONH2	Urea	1A	C2
409	CH3COOH	Acetic acid	1A'	Cs
410	CH3OCHO	methyl formate	1A'	Cs
411	CHOCH2OH	hydroxy acetaldehyde	1A'	CS H in
412	CH3CHNOH	Acetaldoxime	1A'	CS trans
413	CH3CONH2	Acetamide	1A'	C1
414	CH3CSNH2	Ethanethioamide
415	C3H6O	Propylene oxide	1A	C1
416	CH3CH2CHO	Propanal	1A'	Cs
417	CH3COCH3	Acetone	1A1	C2v
418	C2H6O2	1,2-Ethanediol	1Ag	C2h
419	C3H7OH	1-Propanol	1A'	Cs
420	CH3CHOHCH3	Isopropyl alcohol	1A	C1
421	CH3OC2H5	Ethane, methoxy-	1A'	Cs
422	C2F2	difluoroacetylene	1Σg	D∞h
423	N2F2	(Z)-Difluorodiazene	1A1	C2v
424	N2F2	Dinitrogen difluoride, (E)-	1Ag	C2h
425	CF2O	Carbonic difluoride	1A1	C2v
426	Cl2CS	Thiophosgene	1A1	C2v
427	BF3	Borane, trifluoro-	1A'	D3h
428	AlF3	Aluminum trifluoride	1A1'	D3h
429	CF3	Trifluoromethyl radical	2A1	C3v
430	ClO2F	Chloryl fluoride	1A'	Cs
431	F2SO	Thionyl Fluoride	1A'	Cs
432	FSSF	Difluorodisulfane	1A	C2
433	S2F2	Thio-thionyl fluoride	1A'	Cs
434	SSCl2	Thiothionyl chloride
435	NF3	Nitrogen trifluoride	1A1	C3v
436	SF3	Sulfur trifluoride	2A'	Cs
437	ClF3	Chlorine trifluoride	1A1'	D3h
438	ClF3	Chlorine trifluoride	1A1	C2v
439	HClO3	Chloric Acid	1A	C1
440	CHF3	Methane, trifluoro-	1A1	C3v
441	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	1A1	C2v
442	CH2CF2	Ethene, 1,1-difluoro-	1A1	C2v
443	CH3COF	Acetyl fluoride	1A'	NULL
444	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
445	C5H5-	cylopentadienyl anion	1A1'	D5h
446	C5H6	1,3-Cyclopentadiene	1A1	C2v
447	C5H6	1-Buten-3-yne, 2-methyl-	1A'	Cs
448	C5H6	3-Penten-1-yne, (E)-	1A'	Cs
449	C5H6	3-Penten-1-yne, (Z)-	1A'	Cs
450	C5H6	Bicyclo[2.1.0]pent-2-ene	1A'	Cs
451	C5H6	Cyclopropylacetylene	1A'	C1
452	C5H8	1,2-Butadiene, 3-methyl-	1A1	C2v
453	C5H8	1,2-Pentadiene	1A'	C1
454	C5H8	1,3-Butadiene, 2-methyl-	1A'	Cs
455	C5H8	1,3-Pentadiene, (E)-	1A'	C1
456	C5H8	1,3-Pentadiene, (Z)-	1A'	Cs
457	C5H8	1,4-Pentadiene	1A	C2
458	C5H8	2,3-Pentadiene	1A	C1
459	C5H8	Cyclobutane, methylene-	1A'	Cs
460	C5H8	Cyclopentene	1A'	Cs
461	C5H10	1-Butene, 2-methyl-	1A	C1
462	C5H10	2-Butene, 2-methyl-	1A'	Cs
463	C5H10	2-Pentene, (E)-	1A'	Cs
464	C5H10	2-Pentene, (Z)-	1A	C1
465	C5H10	Cyclopentane	1A	C1
466	C5H10	Cyclopropane, 1,1-dimethyl-	1A1	C1
467	CH2CHCH2CH2CH3	1-pentene	1A	C1
468	C5H11	2-Methylbut-2-yl radical	1A	C1
469	C5H12	Butane, 2-methyl-	1A	C1
470	C5H12	Pentane	1A1	C2v
471	C5H12	Propane, 2,2-dimethyl-	1A1	Td
472	N2O3	Dinitrogen trioxide	1A'	Cs
473	C3H2N2	Malononitrile	1A1	Cs
474	C3H4N2	1H-Imidazole	1A'	Cs
475	C3H4N2	1H-Pyrazole	1A'	Cs
476	C4H5N	(E)-2-Butenenitrile	1A'	Cs
477	C4H5N	(Z)-2-Butenenitrile	1A'	Cs
478	C4H5N	Cyclopropanecarbonitrile	1A'	Cs
479	C4H5N	Pyrrole	1A1	C2v
480	C3H6N2	3-Aminopropionitrile	1A'	Cs
481	C5H8	Bicyclo[2.1.0]pentane	1A'	Cs
482	C5H8	Spiropentane	1A1	D2d
483	C4H9N	Cyclobutylamine	1A'	Cs
484	C4H9N	Pyrrolidine	1A'	Cs
485	C3H10N2	1,2-Diaminopropane	1A	C1
486	C(CH3)3NH2	2-Propanamine, 2-methyl-	1A	C1
487	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	1A	C1
488	C(NH2)H2CH2CH2CH3	1-Butanamine	1A'	Cs
489	CH3C(NH2)HCH2CH3	2-Butanamine	1A	C1
490	C3O2	Carbon suboxide	1A1	C2v
491	C3H3NO	Isoxazole	1A'	Cs
492	CH3NO3	Methyl nitrate	1A'	Cs
493	C4H4O	Furan	1A1	C2
494	C3H4O2	β–Propiolactone	1A'	Cs
495	C3H4O2	2-Propenoic acid	1A'	Cs
496	C3H4O2	propanedial	1A	C1
497	C3H4O2	propenalol	1A'	Cs
498	CH2CHCONH2	Acrylamide	1A	Cs
499	CH3OCH2CN	Methoxyacetonitrile	1A	C1
500	H2NCH2COOH	Glycine	1A'	Cs
501	C4H6O	cis-2-butenal	1A	Cs
502	C4H6O	Cyclobutanone	1A1	C2v
503	C4H6O	Furan, 2,3-dihydro-	1A	C1
504	C4H6O	Furan, 2,5-dihydro-	1A1	Cs
505	CH2CHOCHCH2	Vinyl ether	1A1	C2v
506	CHOCHCHCH3	2-Butenal	1A'	Cs
507	C2H6N2O	Urea, methyl-	1A	C1
508	C3H6O2	1,3-Dioxolane	1A	C1
509	CH3COOCH3	methyl acetate	1A'	Cs
510	C2H6O2S	Dimethyl sulfone	1A1	C2v
511	C3H7NO	Propanamide	1A'	C1
512	C2H3OC2H5	Ethene, ethoxy-	1A	C1
513	C4H8O	Cyclobutanol	1A'	C1
514	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	1A	C1
515	CH3COCH2CH3	2-Butanone	1A	C1
516	CHOCH(CH3)CH3	Propanal, 2-methyl-	1A'	Cs
517	CHOCH2CH2CH3	Butanal	1A'	Cs
518	C3H8O2	1,3-Propanediol	1A1	C1
519	C3H8O2	Hydroperoxide, 1-methylethyl	1A	C1
520	C3H8O2	Propylene glycol	1A	C1
521	C4H10O	1-Propanol, 2-methyl-	1A	C1
522	C4H10O	2-Butanol, (.+/-.)-	1A	C1
523	C4H10O	Ethanol, 1,1-dimethyl-	1A	C1
524	C4H10O	Ethoxy ethane	1A1	C2v
525	C4H10O	Propane, 2-methoxy-	1A'	Cs
526	FNO3	Fluorine nitrate	1A'	Cs
527	BF4-	tetrafluoroboron anion	1A1	Td
528	F3NO	Nitrogen trifluoride oxide	1A1	C3v
529	CF4	Carbon tetrafluoride	1A1	Td
530	CF2Cl2	difluorodichloromethane	1A1	C2v
531	SF4	Sulfur tetrafluoride	1A1	C2v
532	C2HF3	Trifluoroethylene	1A'	Cs
533	HClO4	perchloric acid	1A	Cs
534	CH3CF3	Ethane, 1,1,1-trifluoro-	1A1	C3v
535	SiH3CCl3	(trichloromethyl)silane	1A1	C3v
536	C6H4	(E)-Hexa-1,5-diyne-3-ene	1Ag	Cs
537	C6H4	(Z)-Hexa-1,5-diyne-3-ene	1A1	C2v
538	C6H5	phenyl	2A1	C2v
539	C6H6	2,4-Hexadiyne	1A1'	D3h
540	C6H6	Benzene	1A1g	D6h
541	C6H8	(E)-hexa-1,3,5-triene	1Ag	Cs
542	C6H8	(E)-hexa-2,3,4-triene	1A'	C2h
543	C6H8	(Z)-hexa-1,3,5-triene	1A1	C2v
544	C6H8	(Z)-hexa-2,3,4-triene	1A1	C2v
545	C6H8	1,4-Cyclohexadiene	1Ag	C2v
546	C6H8	3-Methylenecyclopentene	1A	C1
547	C6H8	Bicyclo[2.1.1]hex-2-ene	1A1	C2v
548	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	1Ag	D2h
549	C6H8	Bicyclo[3.1.0]hex-2-ene	1A	C1
550	C6H10	1,3-Hexadiene, (E)-	1A'	Cs
551	C6H10	1,3-Hexadiene, (Z)-	1A'	Cs
552	C6H10	1,4-Hexadiene, (E)-	1A	C1
553	C6H10	1,4-Hexadiene, (Z)-	1A	C1
554	C6H10	1-Butyne, 3,3-dimethyl-	1A1	C3v
555	C6H10	1-Hexyne	1A'	Cs
556	C6H10	2,4-Hexadiene, (E,E)-	1Ag	C2h
557	C6H10	2,4-Hexadiene, (E,Z)-	1A'	Cs
558	C6H10	2,4-Hexadiene, (Z,Z)-	1A'	Cs
559	C6H10	2-Hexyne	1A'	C1
560	C6H10	cyclohexene	1A	C2
561	C6H10	Cyclopentene, 1-methyl-	1A	C1
562	C6H10	Cyclopentene, 3-methyl-	1A	C1
563	C6H10	Cyclopentene, 4-methyl-	1A	C1
564	C6H12	(E)-3-methylpent-2-ene	1A	C1
565	C6H12	(Z)-3-methylpent-2-ene	1A	C1
566	C6H12	3-methylenepentane	1A	C1
567	C6H12	Cyclohexane	1A1g	Chair
568	C6H12	Cyclopentane, methyl-	1A	C1
569	C6H12	Ethylcyclobutane	1A	C1
570	C6H12	hex-1-ene	1A'	Cs
571	C6H14	Butane, 2,2-dimethyl-	1A'	C1
572	C6H14	Butane, 2,3-dimethyl-	1Ag	C2h
573	C6H14	Hexane	1Ag	C2h
574	C6H14	Pentane, 2-methyl-	1A	C1
575	C6H14	Pentane, 3-methyl-	1A'	Cs
576	C4N2	2-Butynedinitrile	1Σg	D∞h
577	C3H3N3	1,3,5-Triazine	1A1'	D3h
578	CH3N5	5-Aminotetrazole	1A	C1
579	C4H4N2	1,3-Diazine	1A1	C2v
580	C4H4N2	Pyrazine	1Ag	D2h
581	C4H4N2	Pyridazine	1A1	C2v
582	C4H4N2	Succinonitrile	1Ag	C2h
583	C2H4N4	1H-Tetrazole, 1-methyl-	1A'	Cs
584	C2H4N4	1H-Tetrazole, 5-methyl-	1A'	C1
585	C2H4N4	2H-Tetrazole, 2-methyl-	1A	C1
586	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	1A'	Cs
587	C5H5N	Pyridine	1A1	C2v
588	C6H6	Fulvene	1A1	C2v
589	C4H6N2	1H-Imidazole, 2-methyl-	1A'	Cs
590	C5H7N	(E)-2-Pentenenitrile	1A'	Cs
591	C5H7N	(E)-3-Pentenenitrile	1A	C1
592	C5H7N	(Z)-2-Pentenenitrile	1A	C1
593	C5H7N	1H-Pyrrole, 1-methyl-	1A	C1
594	C5H7N	Cyclobutanecarbonitrile	1A'	Cs
595	C5H9N	1,2,3,6-Tetrahydropyridine	1A	C1
596	C5H9N	Butanenitrile, 2-methyl-	1A	C1
597	C5H9N	Pentanenitrile	1A'	Cs
598	C5H9N	Propanenitrile, 2,2-dimethyl-	1A1	C1
599	C5H11N	Cyclopentanamine	1A'	Cs
600	C5H11N	Piperidine	1A'	NH axial
601	C4H12N2	1,2-Butanediamine	1A	C1
602	C4H12N2	2-Methyl-1,2-propanediamine	1A'	C1
603	N2O4	Dinitrogen tetroxide	1Ag	D2d
604	C2H3NO3	Oxamic acid	1A'	H out
605	C4H4O2	2-Oxetanone, 4-methylene-	1A	C1
606	C2H4N2O2	Oxalamide	1Ag	C2h
607	C4H5NO	3-Methylisoxazole	1A	C1
608	C4H5NO	Isoxazole, 5-methyl-	1A	C1
609	C4H6O2	2-Propenoic acid, methyl ester	1A	C1
610	C2H6N2O2	(E)-Azodioxymethane	1Ag	C2h
611	C2H6N2O2	Dimethylnitroamine	1A	C1
612	C3H6O3	1,3,5-Trioxane	1A1	C1
613	C4H7NO	2-Pyrrolidinone	1A	C1
614	C4H7NO	Methacrylamide	1A	C1
615	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	1A'	C1
616	CH3CH(CH3)ONO	Isopropyl nitrite	1A	C1
617	CH3CH(NH2)COOH	Alanine	1A	C1
618	CH3NHCH2COOH	Sarcosine	1A	C1
619	NH2CH2CH2COOH	β–alanine	1A	C1
620	NH2COOC2H5	Urethane	1A	C1
621	C5H8O	2H-Pyran, 3,4-dihydro-	1A	C1
622	C5H8O	Furan, 2,3-dihydro-5-methyl-	1A	C1
623	N(CH3)2CONH2	Urea, N,N-dimethyl-	1A	C1
624	NH2CONHC2H5	Urea, ethyl-	1A	C1
625	C4H8O2	1,3-Dioxolane, 2-methyl-	1A	C1
626	C4H8O2	1,4-Dioxane	1Ag	C2h
627	C4H8O2	Ethene, 1,1-dimethoxy-	1A1	C2v
628	C3H8O3	1,2,3-Propanetriol	1A	C1
629	C4H9NO	Butanamide	1A	C1
630	C4H9NO	Propanamide, 2-methyl-	1A	C1
631	C5H10O	2-Butanone, 3-methyl-	1A	C1
632	C5H10O	2H-Pyran, tetrahydro-	1A'	C1
633	C5H10O	2-Pentanone	1A	C1
634	C5H10O	3-Pentanone	1A1	C2v
635	C5H10O	Cyclopentanol	1A	C1
636	C5H10O	Oxetane, 3,3-dimethyl-	1A'	Cs
637	C5H10O	Pentanal	1A'	C1
638	C4H10O2	1,1-Dimethoxyethane	1A'	Cs
639	C4H10O2	1,3-Butanediol	1A	C1
640	C4H10O2	1,4-Butanediol	1Ag	C2h
641	C4H10O2	Ethane, 1,2-dimethoxy-	1Ag	C2h
642	C4H11NO	Diethylhydroxylamine	1A'	Cs
643	C5H12O	1-Butanol, 2-methyl-	1A	C1
644	C5H12O	1-Butanol, 3-methyl-	1A'	Cs
645	C5H12O	1-Pentanol	1A'	Cs
646	C5H12O	2-Butanol, 3-methyl-	1A	C1
647	C5H12O	2-Pentanol	1A	C1
648	C5H12O	3-Pentanol	1A	C1
649	C5H12O	Butane, 1-methoxy-	1A'	Cs
650	C5H12O	Propane, 1-ethoxy-	1A'	Cs
651	C5H12O	Propane, 2-methoxy-2-methyl-	1A'	C1
652	CF3CN	Acetonitrile, trifluoro-	1A1	C3v
653	B2F4	Diboron tetrafluoride	1A1	D2d
654	B2Cl4	Diboron tetrachloride	1A1	D2
655	C2F4	Tetrafluoroethylene	1Ag	D2h
656	CF3OF	Trifluoromethylhypofluorite	1A'	Cs
657	SiF5-	silicon pentafluoride anion
658	SOF4	Sulfur tetrafluoride oxide	1A1	C2v
659	PF5	Phosphorus pentafluoride	1A1'	D3h
660	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
661	C6H5CH2	benzyl radical	2B1	Cs
662	C6H5CH3	toluene	1A'	Cs
663	C7H12	Norbornane	1A1	C2v
664	C7H16	2-methylhexane	1A	C1
665	C7H16	heptane	1A1	C2v
666	C6H5NH2	aniline	1A'	Cs
667	C6H5OH	phenol	1A'	Cs
668	C6H10O	cyclohexanone	1A'	Cs
669	PF6-	Hexafluorophosphate ion	1A1G	Oh
670	SF5Cl	sulfur chloropentafluoride	1A1	C4v
671	C6H5F	Fluorobenzene	1A1	C2v
672	C6H5CCH	phenylacetylene	1A1	C2v
673	C6H5CHCH2	Styrene	1A'	Cs
674	C8H8	cubane	1A1G	Oh
675	C8H8	cyclooctatetraene	1A1	D2d
676	C6H5CH2CH3	Ethylbenzene	1A'	Cs
677	C6H5CN	phenyl cyanide	1A1	C2v
678	C6H5CHO	benzaldehyde	1A'	Cs
679	C6H5OCH3	Anisole	1A'	Cs
680	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	1AG	D2h
681	C2F6	hexafluoroethane	1A1g	D3d
682	C6H5NO2	Nitrobenzene	1A1	C2v
683	C6H5COOH	benzoic acid	1A'	Cs
684	C10H8	naphthalene	1Ag	D2h
685	C10H16	adamantane	1A1	Td
686	C12H10	biphenyl	1A	D2

Species NOT done yet

count	Species	Name	file name	problem
1	D	Deuterium atom	d
2	D-	Deuterium atom anion	d-
3	D+	Deuterium atom cation	d+
4	H-	Hydrogen atom anion	h-
5	He-	Helium atom anion	he-
6	He+	Helium atom cation	he+
7	HeH	Helium hydride	heh
8	HeH+	Helium hydride cation	heh+
9	Li-	Lithium atom anion	li-
10	Li+	Lithium atom cation	li+
11	Na-	Sodium atom anion	na-
12	K	Potassium atom	k
13	K-	Potassium atom anion	k-
14	K+	Potassium atom cation	k+
15	Cu	Copper atom	cu
16	Cu-	Copper atom anion	cu-
17	Cu+	Copper atom cation	cu+
18	KH	Potassium hydride	kh
19	KH+	Potassium hydrogen cation	kh+
20	CuH	Copper monohydride	cuh
21	Be-	Beryllium atom anion	be-
22	Be+	Beryllium atom cation	be+
23	Mg-	Magnesium atom anion	mg-
24	Mg+	Magnesium atom cation	mg+
25	Ca	Calcium atom	ca
26	Ca-	Calcium atom anion	ca-
27	Ca+	Calcium atom cation	ca+
28	Zn	Zinc atom	zn
29	Zn-	Zinc atom anion	zn-
30	Zn+	Zinc atom cation	zn+
31	CaH	Calcium monohydride	cah
32	CaH+	Calcium monohydride cation	cah+
33	TiH	Titanium monohydride	tih
34	ZnH	Zinc monohydride	znh
35	ZnH+	Zinc, protonated	znh+
36	BeH2+	Beryllium dihydride cation	beh2+
37	CaH2	Calcium Hydride	cah2
38	ZnH2	Zinc hydride	znh2
39	B-	Boron atom anion	b-
40	B+	Boron atom cation	b+
41	Al	Aluminum atom	al
42	Al-	Aluminum atom anion	al-
43	Al+	Aluminum atom cation	al+
44	Sc	Scandium atom	sc
45	Sc+	Scandium cation	sc+
46	Ga	Gallium atom	ga
47	Ga-	Gallium atom anion	ga-
48	Ga+	Gallium atom cation	ga+
49	AlH-	aluminum monohydride anion	alh-
50	AlH+	aluminum monohydride cation	alh+
51	ScH	Scandium monohydride	sch
52	ScH+	Scandium monohydride cation	sch+
53	GaH	Gallium monohydride	gah
54	GaH+	Gallium monohydride cation	gah+
55	BH2-	boron dihydride anion	bh2-
56	BH2+	Boron dihydride cation	bh2+
57	AlH2	aluminum dihydride	alh2
58	AlH2-	aluminum dihydride anion	alh2-
59	AlH2+	aluminum dihydride cation	alh2+
60	BH3-	boron trihydride anion	bh3-
61	BH3+	boron trihydride cation	bh3+
62	AlH3	aluminum trihydride	alh3
63	AlH3-	aluminum trihydride anion	alh3-
64	AlH3+	aluminum trihydride cation	alh3+
65	ScH3	Scandium trihydride	sch3
66	GaH3	Gallium trihydride	gah3
67	BH4	borohydride	bh4
68	AlH4-	Aluminum tetrahydride anion	alh4-
69	C-	Carbon atom anion	c-
70	C+	Carbon atom cation	c+
71	Si-	Silicon atom anion	si-
72	Si+	Silicon atom cation	si+
73	Ti	Titanium atom	ti
74	Ti-	Titanium atom anion	ti-
75	Ti+	Titanium atom cation	ti+
76	Ge	Germanium atom	ge
77	Ge-	Germanium anion	ge-
78	Ge+	Germanium cation	ge+
79	Sn	Tin atom	sn
80	Sn+	Tin cation	sn+
81	SiH	Silylidyne	sih
82	SiH-	silicon monohydride anion	sih-
83	SiH+	silicon monohydride cation	sih+
84	GeH	germylidene	geh
85	GeH+	Germaniun monohyrdide cation	geh+
86	SiH2-	silicon dihydride anion	sih2-
87	SiH2+	silicon dihydride cation	sih2+
88	GeH2	germylene	geh2
89	GeH2-	germylene anion	geh2-
90	CH3+	methyl cation	ch3+
91	SiH3-	Silyl anion	sih3-
92	SiH3+	Silyl cation	sih3+
93	GeH3	Germyl radical	geh3
94	GeH3+	germyl cation	geh3+
95	CD4	methane-d4	cd4
96	CH2D2	methane-d2	ch2d2
97	CH3D	methane-d	ch3d
98	CH4-	Methane anion	ch4-
99	CH4+	Methane cation	ch4+
100	CHD3	methane-d3	chd3
101	SiH2D2	silane-d2	sih2d2
102	SiH4+	Silane cation	sih4+
103	GeH4	Germane	geh4
104	SnH4	Stannane	snh4
105	SiH5+	Silane, protonated	sih5+
106	N	Nitrogen atom	n
107	N-	Nitrogen atom anion	n-
108	N+	Nitrogen atom cation	n+
109	P-	Phosphorus atom anion	p-
110	P+	Phosphorus atom cation	p+
111	V	Vanadium atom	v
112	V+	Vanadium atom cation	v+
113	As	Arsenic atomic	as
114	As-	Arsenic anion	as-
115	As+	Arsenic cation	as+
116	Sb	Antimony atom	sb
117	PH	phosphorus monohydride	ph
118	PH-	phosphorus monohydride anion	ph-
119	PH+	phosphorus monohydride cation	ph+
120	AsH	Arsenic monohydride	ash
121	AsH+	Arsenic monohydride cation	ash+
122	SbH	Antimony monohydride	sbh
123	NH2+	Amino cation	nh2+
124	PH2	Phosphino radical	ph2
125	PH2-	Phosphino anion	ph2-
126	PH2+	Phosphino cation	ph2+
127	AsH2	Arsenic dihydride	ash2
128	AsH2+	Arsenic dihydride cation	ash2+
129	NH3-	Ammonia anion	nh3-
130	PH3+	Phosphine cation	ph3+
131	AsH3	Arsine	ash3
132	AsH3+	Arsine cation	ash3+
133	SbH3	Stibine	sbh3
134	AsH4+	Arsonium	ash4+
135	NH4	Ammonium radical	nh4
136	PH4	Phosphoranyl radical	ph4
137	O-	Oxygen atom anion	o-
138	O+	Oxygen atom cation	o+
139	S-	Sulfur atom anion	s-
140	S+	Sulfur atom cation	s+
141	Cr	Chromium atom	cr
142	Se	Selenium atom	se
143	Se-	Selenium atom anion	se-
144	Se+	Selenium atom cation	se+
145	Te	Tellurium atom	te
146	Te+	Tellurium atom cation	te+
147	DS	Mercapto-d	ds
148	HS-	mercapto anion	sh-
149	HS+	sulfur monohydride cation	sh+
150	CrH	Chromium hydride	crh
151	CrH+	Chromium hydride cation	crh+
152	HSe	Selenium monohydride	hse
153	HSe-	selenium monohydride anion	hse-
154	HSe+	selenium monohydride cation	hse+
155	TeH	Telluryl radical	teh
156	D2S	Hydrogen sulfide-d2	d2s
157	H2S-	Hydrogen sulfide anion	h2s-
158	H2Se	Hydrogen selenide	h2se
159	H2Se+	Hydrogen selenide cation	h2se+
160	H2Te	Hydrogen Telluride	h2te
161	H3Se+	Hydrogen Selenide, protonated	h3se+
162	F-	Fluorine atom anion	f-
163	F+	Fluorine atom cation	f+
164	Cl-	Chlorine atom anion	cl-
165	Cl+	Chlorine atom cation	cl+
166	Mn	Manganese atom	mn
167	Br	Bromine atom	br
168	Br-	Bromine atom anion	br-
169	Br+	Bromine atom cation	br+
170	I	Iodine atom	iodine
171	I-	Iodine atom anion	iodine-
172	I+	Iodine atom cation	iodine+
173	DCl	Hydrochloric acid-d	dcl
174	HCl-	hydrogen chloride anion	hcl-
175	HBr	hydrogen bromide	hbr
176	HBr-	hydrogen bromide anion	hbr-
177	HBr+	hydrogen bromide cation	hbr+
178	HI	Hydrogen iodide	hi
179	HI+	Hydrogen iodide cation	hi+
180	H2Br+	protonated hydrogen bromide	h2br+
181	H2I+	Iodonium	h2i+
182	Ne-	Neon atom anion	ne-
183	Ne+	Neon atom cation	ne+
184	Ar	Argon atom	ar
185	Ar-	Argon atom anion	ar-
186	Ar+	Argon atom cation	ar+
187	Fe	Iron atom	fe
188	Kr	Krypton atom	kr
189	Kr+	Krypton cation	kr+
190	Xe	Xenon atom	xe
191	HeLi+	Helium Lithium cation	heli+
192	NeH	neon hydrogen	neh
193	ArH+	Argon hydride cation	arh+
194	KrH+	Protonated Krypton	krh+
195	XeH+	Xenon, protonated	xeh+
196	H2Ar	H2 Ar dimer	h2ar
197	Co	Cobalt atom	cobalt
198	Ni	Nickel atom	ni
199	LiK	Lithium Potassium	lik
200	NaK	Sodium Potassium	nak
201	NaK+	Sodium Potassium diatomic cation	nak+
202	K2	Potassium diatomic	k2
203	Cu2	Copper diatomic	cu2
204	LiBe	Lithium Beryllium	libe
205	LiMg	Lithium magnesium	limg
206	NaBe	Sodium Beryllium	nabe
207	NaMg	Sodium Magnesium	namg
208	Be2	Beryllium diatomic	be2
209	BeMg	Beryllium Magnesium	bemg
210	Ca2	Calcium diatomic	ca2
211	LiB	Lithium boride	lib
212	LiAl	Lithium Aluminum	lial
213	NaAl	Sodium aluminum	naal
214	BeB	Beryllium monoboride	beb
215	B2+	Boron diatomic cation	b2+
216	Al2	Aluminum diatomic	al2
217	Al2-	aluminum diatomic anion	al2-
218	Al2+	aluminum diatomic cation	al2+
219	BGa	Boron Gallium	bga
220	AlGa	Aluminum Gallium	alga
221	Ga2	Gallium diatomic	ga2
222	HBBH	Diborane(2)	hbbh
223	LiBH4	Lithium borohydride	libh4
224	B2H4	Diborane(4) D2d	b2h4
225	HBHHBH	Diborane(4) C2V	hbhhbh
226	B2H6+	Diborane cation	b2h6
227	Al2H6	dialane	al2h6
228	Ga2H6	digallane	ga2h6
229	LiC	Lithium Carbide	lic
230	BeC	Beryllium Carbide	bec
231	CaC	Calcium monocarbide	cac
232	BC	boron monocarbide	bc
233	BSi	Boron silicide	bsi
234	C2+	carbon diatomic cation	c2+
235	SiC-	silicon monocarbide anion	sic-
236	SiC+	silicon monocarbide cation	sic+
237	Si2	Silicon diatomic	si2
238	Si2-	silcon diatomic anion	si2-
239	Si2+	silcon diatomic cation	si2+
240	GeC	Germanium monocarbide	gec
241	SiGe	Silicon Germanium	sige
242	Ge2	Germanium diatomic	ge2
243	C2H-	Ethynyl anion	c2h-
244	C2H+	Ethynyl cation	c2h+
245	ZnCH2	Zinc methylene	znch2
246	H2CC-	vinylidene anion	h2cc-
247	HCCH-	acetylene anion	c2h2-
248	Si2H2	disilyne	si2h2
249	CH3Li	methyl lithium	ch3li
250	CuCH3	monomethyl copper	cuch3
251	ZnCH3	Zinc monomethyl	znch3
252	CH2BH	methyleneborane	ch2bh
253	C2H3-	vinyl anion	c2h3-
254	C2H3+	vinyl cation	c2h3+
255	C2H4-	Ethylene anion	c2h4-
256	C2H4+	Ethylene cation	c2h4+
257	CH3CH	methylmethylene	ch3ch
258	CH2SiH2	silaethylene	ch2sih2
259	Si2H4	Disilene	si2h4
260	CH3BH2	methylborane	ch3bh2
261	C2H5-	Ethyl anion	c2h5-
262	C2H5+	Ethyl cation	c2h5+
263	C2H6+	ethane cation	c2h6+
264	CH3SiH3	methyl silane	ch3sih3
265	GeH3CH3	methyl germane	geh3ch3
266	C2H7+	Ethane, protonated	c2h7+
267	LiN	Lithium Nitride	lin
268	LiN+	Lithium Nitride cation	lin+
269	LiP	Lithium monophosphide	lip
270	BeN	Beryllium mononitride	ben
271	BeN+	Beryllium mononitride cation	ben+
272	MgN	Magnesium Nitride	mgn
273	AlN-	aluminum mononitride anion	aln-
274	AlN+	aluminum mononitride cation	aln+
275	BP	Boron monophosphide	bp
276	AlP	Aluminum monophosphide	alp
277	GaN	Gallium mononitride	gan
278	GaP	Gallium monophosphide	gap
279	GaAs	Gallium arsenide	gaas
280	CP	Carbon monophosphide	cp
281	CP-	carbon monophosphide anion	cp-
282	CP+	carbon monophosphide cation	cp+
283	SiN	Silicon nitride	sin
284	SiN-	silicon mononitride anion	sin-
285	SiN+	silicon mononitride cation	sin+
286	SiP-	Silicon monophosphide anion	sip-
287	SiP+	Silicon monophosphide cation	sip+
288	TiN	Titanium mononitride	tin
289	PN	Phosphorus mononitride	pn
290	PN-	phosphorus nitride anion	pn-
291	PN+	phosphorus nitride cation	pn+
292	P2-	phosphorus diatomic anion	p2-
293	P2+	phosphorus diatomic cation	p2+
294	AsN	Arsenic mononitride	asn
295	AsP	Arsenic monophosphide	asp
296	SbN	Antimony nitride	sbn
297	As2	Arsenic diatomic	as2
298	HNB	hydrogen nitrogen boron	hnb
299	HCN-	Hydrogen cyanide anion	hcn-
300	HNC+	hydrogen isocyanide cation	hnc+
301	HCP	Phosphaethyne	hcp
302	HCP+	Phosphaethyne cation	hcp+
303	NNH+	Dinitrogen monohydride cation	nnh+
304	HPO	Hydrogen phosphorus oxide	hpo
305	HPO+	Hydrogen phosphorus oxide cation	hpo+
306	LiNH2	lithium amide	linh2
307	HBNH	Boranimine	hbnh
308	CNH2	Aminomethylidyne radical	cnh2
309	CNH2+	N-protonated hydrogen isocyanide	cnh2+
310	H2CN	Dihydrogen cyanide radical	h2cn
311	H2CN+	hydrocyanonium cation	h2cn+
312	HCNH	methyleneazane	hcnh
313	HCNH+	N-protonated HCN	hcnh+
314	H2NN	Isodiazene	h2nn
315	N2H2	(Z)-Diazene	n2h2z
316	N2H2+	trans-diazene cation	n2h2+
317	CH2NH+	Methanimine cation	ch2nh+
318	CHNH2	aminomethylene	chnh2
319	CHNH2+	Aminocarbene cation	chnh2+
320	BH2NH2	Boranamine	bh2nh2
321	N2H4+	hydrazine cation	n2h4+
322	P2H4	Diphosphine	p2h4
323	CH3NH2+	methyl amine cation	ch3nh2+
324	CH3PH2	Methyl phosphine	ch3ph2
325	SiH3NH2	Silane, amino	sih3nh2
326	N2H5+	protonated hydrazine	n2h5+
327	BH3NH3	borane ammonia	bh3nh3
328	CH3NH3	methyl ammonium radical	ch3nh3
329	CH3NH3+	protonated methylamine	ch3nh3+
330	CH3PH3+	methyl phosphine, protonated	ch3ph3+
331	NH3NH3	Ammonia Dimer	nh3nh3
332	N2H7+	ammonia ammonium dimer	n2h7+
333	LiS+	Lithium sulfide cation	lis+
334	KO	Potassium monoxide	ko
335	KO+	Potassium monoxide cation	ko+
336	NaS	Sodium sulfide	nas
337	CuO	Copper Monoxide	cuo
338	LiSe	Lithium monoselenide	lise
339	BeS	beryllium sulfide	bes
340	CaO	Calcium monoxide	cao
341	MgS	magnesium sulfide	mgs
342	MgS-	magnesium sulfide anion	mgs-
343	MgS+	magnesium sulfide cation	mgs+
344	ZnO	zinc monoxide	zno
345	ZnS	Zinc sulfide	zns
346	BeS-	Beryllium monosulfide anion	bes-
347	BeS+	Beryllium monosulfide cation	bes+
348	AlO	Aluminum monoxide	alo
349	AlO-	Aluminum monoxide anion	alo-
350	AlO+	aluminum monoxide cation	alo+
351	BS	boron sulfide	bs
352	BS-	boron monosulfide anion	bs-
353	BS+	boron monosulfide cation	bs+
354	AlS	Aluminum sulfide	als
355	AlS-	aluminum monosulfide anion	als-
356	AlS+	aluminum monosulfide cation	als+
357	ScO	Scandium monoxide	sco
358	GaO	Gallium monoxide	gao
359	GaS	Gallium monosulfide	gas
360	CS	carbon monosulfide	cs
361	CS-	carbon monosulfide anion	cs-
362	CS+	carbon monosulfide cation	cs+
363	SiO	Silicon monoxide	sio
364	SiO-	silicon monoxide anion	sio-
365	SiO+	silicon monoxide cation	sio+
366	SiS	silicon monosulfide	sis
367	SiS-	silicon monosulfide anion	sis-
368	SiS+	silicon monosulfide cation	sis+
369	TiO	Titanium monoxide	tio
370	CSe	Carbon monoselenide	cse
371	CSe-	Carbon monoselenide anion	cse-
372	CSe+	Carbon monoselenide cation	cse+
373	GeO+	Germanium monoxide cation	geo+
374	GeS	Germanium monosulfide	ges
375	SiSe+	Silicon Monoselenide cation	sise+
376	GeSe	Germanium monoselenide	gese
377	NS	Mononitrogen monosulfide	ns
378	NS-	nitrogen sulfide anion	ns-
379	NS+	nitrogen sulfide cation	ns+
380	PO-	phosphorus monoxide anion	po-
381	PO+	phosphorus monoxide cation	po+
382	PS-	phosphorus monosulfide anion	ps-
383	PS+	phosphorus monosulfide cation	ps+
384	VO	Vanadium monoxide	vo
385	AsO	Arsenic monoxide	aso
386	NSe	Nitrogen monoselenide	nse
387	AsS	Arsenic monosulfide	ass
388	PSe	Phosphorus monoselenide	pse
389	AsSe	Arsenic monoselenide	asse
390	O2--	dioxygen dianion	o2--
391	SO-	sulfur monoxide anion	so-
392	SO+	sulfur monoxide cation	so+
393	S2-	sulfur diatomic anion	s2-
394	SeO	Selenium monoxide	seo
395	SeO-	selenium monoxide anion	seo-
396	SeO+	selenium monoxide cation	seo+
397	SeS	Selenium monosulfide	ses
398	SeS-	selenium monosulfide anion	ses-
399	SeS+	selenium monosulfide cation	ses+
400	TeO	Tellurium monoxide	teo
401	Se2-	selenium diatomic anion	se2-
402	Se2+	selenium diatomic cation	se2+
403	Te2	Tellurium diatomic	te2
404	KOH	Potassium hydroxide	koh
405	CaOH	Calcium monohydroxide	caoh
406	HBS	hydrogen boron sulfide	hbs
407	COH	Hydroxymethylidyne	coh
408	COH+	Carbon Monoxide, protonated	coh+
409	HCO-	formyl anion	hco-
410	HCO+	Formyl cation	hco+
411	HCS	Thioformyl radical	hcs
412	HCS-	Thioformyl anion	hcs-
413	HCS+	Thioformyl cation	hcs+
414	HNO-	Nitrosyl hydride anion	hno-
415	HNO+	Nitrosyl hydride cation	hno+
416	NOH	Hydroxyimidogen	noh
417	NOH+	O-protonated nitric oxide	noh+
418	HNS	Sulfur imide	hns
419	HNS-	Sulfur imide anion	hns-
420	HO2-	Hydroperoxy anion	ho2-
421	HO2+	Hydroperoxy cation	ho2+
422	HS2	Thiosulfeno radical	hs2
423	H2CO-	formaldehyde anion	h2co-
424	HOCH	hydroxycarbene	hoch
425	H2CS-	thioformaldehyde anion	h2cs-
426	H2CS+	thioformaldehyde cation	h2cs+
427	H2NO	nitroxide	h2no
428	H2O2+	Hydrogen peroxide cation	h2o2+
429	H2OO	water oxide	h2oo
430	HOSH	hydrogen thioperoxide	hosh
431	H2Se2	hydrogen diselenide	h2se2
432	CH3O-	methoxy anion	ch3o-
433	CH3O+	Methoxy cation	ch3o+
434	CH3S	thiomethoxy	ch3s
435	NH2OH+	Hydroxylamine cation	nh2oh+
436	NH3O	Ammonia Oxide	nh3o
437	NH2SH	Thiohydroxylamine	nh2sh
438	NH3S	sulfidoazane	nh3s
439	H3O2+	hydrogen peroxide, protonated	h3o2+
440	CH3OH-	Methyl alcohol anion	ch3oh-
441	CH3OH+	Methyl alcohol cation	ch3oh+
442	CH3SH+	Methanethiol cation	ch3sh+
443	SiH3OH	silanol	sih3oh
444	CH3SeH	Methane selenol	ch3seh
445	NH2OH2+	protonated hydroxylamine	nh2oh2+
446	NH3OH+	N-protonated hydroxylamine	nh3oh+
447	H2OH2O	water dimer	h2oh2o
448	CH3OH2+	Methanol, protonated	ch3oh2+
449	H2ONH3	Water Ammonia Dimer	h2onh3
450	H5O2+	Dihydroxonium ion	h5o2+
451	LiCl-	lithium chloride anion	licl-
452	LiCl+	lithium chloride cation	licl+
453	KF	Potassium Fluoride	kf
454	NaCl	Sodium Chloride	nacl
455	NaCl-	sodium chloride anion	nacl-
456	NaCl+	sodium chloride cation	nacl+
457	KCl	Potassium Chloride	kcl
458	CuF	Copper monofluoride	cuf
459	LiBr	Lithium Bromide	libr
460	LiBr-	lithium bromide anion	libr-
461	LiBr+	lithium bromide cation	libr+
462	CuCl	Copper monochloride	cucl
463	NaBr	Sodium Bromide	nabr
464	NaBr-	sodium bromide anion	nabr-
465	NaBr+	sodium bromide cation	nabr+
466	KBr	Potassium Bromide	kbr
467	LiI	Lithium Iodide	lii
468	NaI	Sodium Iodide	nai
469	KI	Potassium Iodide	ki
470	BeCl	beryllium monochloride	becl
471	CaF	Calcium monofluoride	caf
472	MgCl	magnesium monochloride	mgcl
473	MgCl-	magnesium monochloride anion	mgcl-
474	MgCl+	magnesium monochloride cation	mgcl+
475	CaCl	calcium monochloride	cacl
476	TiCl	Titanium Monochloride	ticl
477	ZnF	Zinc monofluoride	znf
478	ZnF-	Zinc monofluoride anion	znf-
479	ZnF+	Zinc monofluoride cation	znf+
480	ZnCl	Zinc monochloride	zncl
481	CaBr	Calcium monobromide	cabr
482	BeCl-	beryllium monochloride anion	becl-
483	BeCl+	beryllium monochloride cation	becl+
484	AlF	Aluminum monofluoride	alf
485	AlF-	Aluminum monofluoride anion	alf-
486	AlF+	Aluminum monofluoride cation	alf+
487	BCl	boron monochloride	bcl
488	BCl-	boron monochloride anion	bcl-
489	BCl+	boron monochloride cation	bcl+
490	AlCl-	aluminum monochloride anion	alcl-
491	AlCl+	aluminum monochloride cation	alcl+
492	ScF	Scandium monofluoride	scf
493	BBr	Boron monobromide	bbr
494	GaF	Gallium monofluoride	gaf
495	GaF+	Gallium monofluoride cation	gaf+
496	AlBr	Aluminum monobromide	albr
497	GaCl	Gallium monochloride	gacl
498	GaCl+	Gallium monochloride cation	gacl+
499	AlI	Aluminum monoiodide	ali
500	GaBr	Gallium monobromide	gabr
501	CCl	carbon monochloride	ccl
502	CCl-	carbon monochloride anion	ccl-
503	CCl+	carbon monochloride cation	ccl+
504	SiF-	silicon monofluoride anion	sif-
505	SiCl	Clorosilylidyne	sicl
506	SiCl-	silicon monochloride anion	sicl-
507	SiCl+	silicon monochloride cation	sicl+
508	CBr	Carbon monobromide	cbr
509	GeF	Germanium monofluoride	gef
510	GeF+	Germanium monofluoride cation	gef+
511	GeCl	Germanium monochloride	gecl
512	GeCl+	Germanium monochloride cation	gecl+
513	SiBr	Silicon monobromide	sibr
514	SiBr+	Silicon monobromide cation	sibr+
515	NCl-	nitrogen monochloride anion	ncl-
516	NCl+	nitrogen monochloride cation	ncl+
517	PF	phosphorus monofluoride	pf
518	PF-	phosphorus monofluoride anion	pf-
519	PF+	phosphorus monofluoride cation	pf+
520	PCl	phosphorus chloride	pcl
521	PCl-	phosphorus monochloride anion	pcl-
522	PCl+	phosphorus monochloride cation	pcl+
523	AsF	Arsenic monofluoride	asf
524	NBr	nitrogen monobromide	nbr
525	AsCl	Arsenic monochloride	ascl
526	PBr	Phosphorus monobromide	pbr
527	SbF	Antimony monofluoride	sbf
528	SbCl	Antimony monochloride	sbcl
529	ClO-	chlorine monoxide anion	clo-
530	ClO+	chlorine monoxide cation	clo+
531	SF-	sulfur monofluoride anion	sf-
532	SCl-	sulfur monochloride anion	scl-
533	BrO	Bromine monoxide	bro
534	BrO-	Bromine monoxide anion	bro-
535	BrO+	Bromine monoxide cation	bro+
536	SeF	Selenium monofluoride	sef
537	SBr+	Sulfur monobromide cation	sbr+
538	SeCl	Selenium monochloride	secl
539	IO	Iodine monoxide	io
540	SeBr	Selenium monobromide	sebr
541	BrCl	Bromine monochloride	brcl
542	ClF-	clorine monofluoride anion	clf-
543	ClF+	clorine monofluoride cation	clf+
544	Cl2	Chlorine diatomic	cl2
545	BrF	Bromine monofluoride	brf
546	BrF-	bromine fluoride anion	brf-
547	BrF+	bromine fluoride cation	brf+
548	BrCl-	bromine chloride anion	brcl-
549	BrCl+	bromine chloride cation	brcl+
550	IF	Iodine monofluoride	if
551	Br2	Bromine diatomic	br2
552	Br2-	bromine diatomic anion	br2-
553	Br2+	bromine diatomic cation	br2+
554	ICl	Iodine monochloride	icl
555	IBr	Iodine monobromide	ibr
556	I2	Iodine diatomic	i2
557	I2+	Iodine diatomic cation	i2+
558	HCCl	Chloromethylene	hccl
559	HSiF	fluorosilylene	hsif
560	HSiCl	Chlorosilylene	hsicl
561	HSiBr	monobromosilylene	hsibr
562	CHBr	bromomethylene	chbr
563	DOCl	Hypochlorous acid-d	docl
564	HOCl	hypochlorous acid	hocl
565	HOCl+	hypochlorous acid cation	hocl+
566	HOBr	Hypobromous acid	hobr
567	HOBr+	Hypobromous acid cation	hobr+
568	HOI	Hypoiodous acid	hoi
569	F2H+	Fluorine, protonated	f2h+
570	FHF	Hydrogen difluoride	fhf
571	FHF-	Hydrogen difluoride anion	fhf-
572	ClFH+	Chlorine fluoride, F-protonated	clfh+
573	FClH+	Chlorine fluoride, Cl-protonated	fclh+
574	Cl2H+	Chlorine, protonated	cl2h+
575	CH2Br	bromomethyl radical	ch2br
576	CH2F	fluoromethyl radical	ch2f
577	CH2F+	fluoromethyl cation	ch2f+
578	CH2Cl+	chloromethyl cation	ch2cl+
579	NH2F	monofluoroamine	nh2f
580	NH2Cl	chloramine	nh2cl
581	H2F2	Hydrogen fluoride dimer	h2f2
582	CH3F+	methyl fluoride cation	ch3f+
583	CD3F	methylfluoride-d3	cd3f
584	CD3Cl	methyl chloride d3	cd3cl
585	CH3Cl+	Methyl chloride cation	ch3cl+
586	SiH3F	monofluorosilane	sih3f
587	CH3Br	methyl bromide	ch3br
588	GeH3F	monofluorogermane	geh3f
589	GeH3Cl	monochlorogermane	geh3cl
590	SiH3Br	bromosilane	sih3br
591	CH3I	methyl iodide	ch3i
592	SiH3I	Silyl Iodide	sih3i
593	NH3Cl+	protonated monochloroammonia	nh3cl+
594	CH3ClH+	methyl chloride, protonated	ch3clh+
595	NH4Cl	Ammonium chloride	nh4cl
596	LiNe+	Lithium Neon cation	line+
597	Ne2	Neon diatomic	ne2
598	Ne2+	Neon diatomic cation	ne2+
599	Ar2	Argon diatomic	ar2
600	Ar2+	Argon diatomic cation	ar2+
601	Li3	Lithium trimer	li3
602	Li3+	Lithium trimer cation	li3+
603	C3+	carbon trimer cation	c3+
604	SiC2	Silicon dicarbide	sic2
605	C3H3	cyclopropenyl radical	cpr
606	C3H3-	Propargyl anion	c3h3-
607	C3H3+	cyclopropenyl cation	cpr+
608	C3H3+	Propargyl cation	c3h3+
609	C3H4	cyclopropene	cprop
610	C3H5	Allyl radical	allyl
611	C3H5+	Allyl cation	allyl+
612	CH3CHCH	1-propenyl radical	ch3chch
613	Zn(CH3)2	dimethyl zinc	dmz
614	C3H7+	cyclopropane, protonated	c3h7+
615	CH3CHCH3	Isopropyl radical	isopropyl
616	CH3CHCH3+	Isopropyl cation	prop2yl+
617	SiH2(CH3)2	dimethylsilane	dms
618	LiCN	lithium cyanide	licn
619	NaCN	Sodium Cyanide	nacn
620	KCN	Potassium cyanide	kcn
621	CuCN	Copper cyanide	cucn
622	ZnCN	Zinc monocyanide	zncn
623	ZnNC	Zinc isocyanide	znnc
624	AlCN	Aluminum monocyanide	alcn
625	AlNC	Aluminum isocyanide	alnc
626	CN2	3H-Diazirin-3-ylidene	cn2
627	CNN	Diazocarbene	cnn
628	NCN	Cyanoimidogen	ncn
629	N3	azide radical	n3
630	N3-	azide anion	n3-
631	N3+	azide cation	n3+
632	HCCN	cyanomethylene	hccn
633	HCNN	diazomethyl radical	hcnn
634	HN3+	Hydrazoic acid cation	hn3+
635	HNCNH	diiminomethane	hncnh
636	CH2N2	diazirine	ch2n2
637	NH2CN	cyanamide	cyanamide
638	HNNNH+	1,2-Triazadienium	n2h3+
639	NH2NN+	hydrazoic acid, protonated	nh2nn+
640	CH3CN-	acetonitrile anion	ch3cn-
641	CH3CN+	Acetonitrile cation	ch3cn+
642	CHNCH2	2H-Azirine	c157164
643	CHNHCH	1H-Azirine	chnhch
644	H2CCNH	Ethenimine	ch2cnh
645	H2CNCH	methyleneaminomethylene	ch2nch
646	HCCNH2	Ethynamine	hccnh2
647	HCNCH2+	2H-Azirine cation	hcnch2+
648	HNCNH2+	diiminomethane, protonated	hncnh2+
649	NCNH3+	Cyanamide, protonated	ncnh3+
650	NH2CNH+	cyanamide, cn protonated	nh2cnh+
651	NH3CN+	cyanamide, amine protonated	nh3cn+
652	CH2CHNH	vinylazine	ch2chnh
653	CH3CHN	methylmethaniminyl radical	ch3chn
654	CH2CHNH2	aminoethene	aminoethene
655	CH2NCH3	N-methylmethanimine	nmm
656	CH3CHNH	ethanimine	ethanimine
657	NH2BHNH2	diaminoborane	nh2bhnh2
658	C2H5NH+	Protonated Aziridine	c2h5nh+
659	C2H6N+	aziridine, protonated	c2h6n+
660	NH2CH2NH2	diaminomethane	nh2ch2nh2
661	CH3PHCH3	dimethylphosphine	ch3phch3
662	NH2CH2NH3+	diaminoethane, protonated	pdam
663	(CH3)2NH2+	dimethylammonium cation	dmam
664	CH3CH2NH3+	ethylamine, protonated	pea
665	Li2O+	dilithium oxide cation	li2o+
666	Na2O	disodium monoxide	na2o
667	Na2S	Sodium sulfide	na2s
668	LiO2	Lithium dioxide	lio2
669	NaO2	Sodium superoxide	nao2
670	CCO	Dicarbon monoxide	cco
671	CNO-	fulminate	cno-
672	NCO	isocyanato radical	nco
673	NCO-	cyanate	nco-
674	SCN	thiocyanato radical	scn
675	SCN-	thiocyanide anion	scn-
676	BO2-	Boron dioxide anion	bo2-
677	BO2+	Boron dioxide cation	bo2+
678	N2O-	Nitrous oxide anion	n2o-
679	N2O+	Nitrous oxide cation	n2o+
680	PPO	Phosphorus oxide phosphide	ppo
681	CO2-	Carbon dioxide anion	co2-
682	CO2+	Carbon dioxide cation	co2+
683	OCS+	Carbonyl sulfide cation	cos+
684	SiO2	silicon dioxide	sio2
685	CS2	Carbon disulfide	cs2
686	CS2-	Carbon disulfide anion	cs2-
687	CS2+	Carbon disulfide cation	cs2+
688	TiO2	Titanium dioxide	tio2
689	GeO2	Germanium dioxide	geo2
690	OCSe	Carbonyl selenide	ocse
691	SCSe	Carbon sulfide selenide	scse
692	GeS2	Germanium disulfide	ges2
693	CSe2	Carbon diselenide	cse2
694	SCTe	Carbon sulfide Telluride	scte
695	NO2-	Nitrogen dioxide anion	no2-
696	NO2+	Nitrogen dioxide cation	no2+
697	PO2	Phosphorus dioxide	po2
698	PO2-	Phosphorus dioxide anion	po2-
699	PO2+	Phosphorus dioxide cation	po2+
700	AsO2	Aresenic dioxide	aso2
701	O3-	Ozone anion	o3-
702	O3+	Ozone cation	o3+
703	SO2-	Sulfur dioxide anion	so2-
704	SO2+	Sulfur dioxide cation	so2+
705	SSO	Disulfur monoxide	sso
706	S3-	Sulfur trimer anion	s3-
707	SeO2	Selenium dioxide	seo2
708	SeO2+	Selenium dioxide cation	seo2+
709	TeO2	Tellurium Dioxide	teo2
710	CS2H+	Carbon disulfide, protonated	cs2h+
711	HNCS	Isothiocyanic acid	hncs
712	HSCN	thiocyanic acid	hscn
713	HNNO	nitrosoazane	hnno
714	HNNO+	Nitrous oxide, N-protonated	hnno+
715	NNOH+	Nitrous Oxide, O-protonated	nnoh+
716	HCOO	formate neutral radical	hcoo
717	HOCO+	Hydrocarboxyl cation	hoco+
718	HNO2+	nitrous acid cation	hno2+
719	O3H+	protonated ozone	o3h+
720	SO2H+	protonated sulfur dioxide	so2h+
721	C2H2O	Oxirene	oxirene
722	CH2CO+	Ketene cation	ch2co+
723	Be(OH)2	Beryllium hydroxide	beo2h2
724	Mg(OH)2	Magnesium dihydroxide	h2mgo2
725	NH2NO	Nitrosamide	nh2no
726	H2COO	Dioxymethyl radical	h2coo
727	H2COO+	dioxymethyl cation	h2coo+
728	H2O3	Hydrogen trioxide	h2o3
729	NaOCH3	Sodium methoxide	naoch3
730	CH2BOH	hydroxy(methylene)borane	ch2boh
731	BH3CO	Borane carbonyl	bh3co
732	CH3BO	Borane, methyloxo-	ch3bo
733	CH2CHO	Vinyloxy radical	ch2cho
734	CH2COH+	ketene, protonated	ch2coh+
735	CH3CO-	Acetyl anion	ch3co-
736	CH3CO+	acetyl cation	ch3co+
737	CH2NOH	formaldoxime	ch2noh
738	CH3NO	nitrosomethane	ch3no
739	CNOH3	1,2-oxaziridine	cnoh3
740	HOCHNH	hydroxymethylimine	hochnh
741	CHSNH2	thioformamide	chsnh2
742	NHCHSH	Methanimidothioic acid	nhchsh
743	CH2OOH	CH2OOH radical	ch2ooh
744	CH3OO-	methylperoxy anion	ch3oo-
745	CH3OO+	methylperoxy cation	ch3oo+
746	C2H4O+	ethylene oxide cation	c2h4o+
747	CH3CHO+	acetaldehyde cation	ch3cho+
748	H2COCH2+	Methyl, (methyleneoxoniumyl)-	h2coch2+
749	CH2CHSH	Ethenethiol	ch2chsh
750	H2CONH2+	protonated formamide	h2conh2+
751	NH2CHOH+	Formamide, O-protonated	nh2choh+
752	NH3CHO+	Formamide, N-Protonated	nh3cho+
753	CH2(OH)2	methanediol	ch2o2h2
754	HSCH2SH	Methanedithiol	ch4s2
755	H2OH2CO	water formaldehyde dimer	h2oh2co
756	C2H4OH+	ethylene oxide, protonated	c2h4oh+
757	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
758	CH3CH2O	Ethoxy radical	ethoxy
759	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
760	CH3CHOH+	acetaldehyde, protonated	ch3choh+
761	CH3OCH2	methoxymethyl radical	ch3och2
762	NH2CH2OH	aminomethanol	nh2ch2oh
763	CH3SCH3	Dimethyl sulfide	mesme
764	CH3SCH3+	dimethyl sulfide cation	mesme+
765	CH3SeCH3	dimethylselenide	dmse
766	CH3OHH2O	methanol water dimer	ch3ohh2o
767	H2OCH3OH	water methanol dimer	h2och3oh
768	CuF2	Copper difluoride	cuf2
769	ZnF2	Zinc difluoride	znf2
770	CNF	iso cyanogen fluoride	cnf
771	ClCN	chlorocyanogen	clcn
772	BrCN	Cyanogen bromide	brcn
773	ICN	Cyanogen iodide	icn
774	FBO	Boron monofluoride monoxide	fbo
775	BeF2	Beryllium fluoride	bef2
776	MgF2	Magnesium fluoride	mgf2
777	BeCl2	Beryllium chloride	becl2
778	MgCl2	Magnesium dichloride	mgcl2
779	CaCl2	Calcium Chloride	cacl2
780	ZnCl2	Zinc dichloride	zncl2
781	BeBr2	Beryllium bromide	bebr2
782	CaBr2	Calcium dibromide	cabr2
783	CaF2	Calcium difluoride	caf2
784	FCO	Carbonyl fluoride	fco
785	FCO+	Carbonyl fluoride cation	fco+
786	ClCO	carbonyl monochloride	clco
787	BF2	Boron difluoride radical	bf2
788	ClNO	Nitrosyl chloride	clno
789	BrNO	Nitrosyl bromide	brno
790	INO	Nitrosyl iodide	ino
791	CF2-	Difluoromethylene anion	cf2-
792	CF2+	Difluoromethylene cation	cf2+
793	CFCl	chlorofluoromethylene	cfcl
794	SiF2	Silicon difluoride	sif2
795	SiF2+	Silicon difluoride cation	sif2+
796	CCl2	dichloromethylene	ccl2
797	CCl2-	dichloromethylene anion	ccl2-
798	CCl2+	dichloromethylene cation	ccl2+
799	SiCl2	Dichlorosilylene	sicl2
800	GeF2	Germanium difluoride	gef2
801	CBr2	dibromomethylene	cbr2
802	FOO+	Fluorine dioxide cation	foo+
803	ClOO	chloroperoxy radical	cloo
804	ClOO+	chloroperoxy cation	cloo+
805	OClO-	Chlorine dioxide anion	oclo-
806	OClO+	Chlorine dioxide cation	oclo+
807	ClS2	Sulfur chloride	cls2
808	BrOO	Bromine dioxide	broo
809	OBrO	Bromine dioxide radical	obro
810	NF2+	Difluoroamino cation	nf2+
811	PF2	Phosphorus difluoride	pf2
812	PF2+	Phosphorus difluoride cation	pf2+
813	SF2-	sulfur difluoride anion	sf2-
814	SF2+	sulfur difluoride cation	sf2+
815	Cl2O	Dichlorine monoxide	cl2o
816	SeF2	Selenium difluoride	sef2
817	BrOCl	Bromine hypochlorite	brocl
818	BrOBr	Bromine oxide	brobr
819	F3-	trifluoride anion	f3-
820	Cl3-	trichloride anion	cl3-
821	Br3-	tribromide anion	br3-
822	I3-	triiodide	i3-
823	SFCl	Sulfur chloride fluoride	sfcl
824	HCCF+	fluoroacetylene cation	hccf+
825	HCCCl	Chloroacetylene	hcccl
826	HCCBr	bromoacetylene	hccbr
827	HFCO+	formyl fluoride cation	hfco+
828	COHCl	Formyl chloride	cohcl
829	COHBr	Formyl bromide	cohbr
830	BHCl2	Borane, dichloro-	bhcl2
831	CHCl2	dichloromethyl radical	chcl2
832	CHF2	difluoromethyl radical	chf2
833	CHF2+	difluoromethyl cation	chf2+
834	CHFCl	Chlorofluoromethyl radical	chfcl
835	CHFCl+	Chlorofluoromethyl cation	chfcl+
836	CHCl2+	dichloromethyl cation	chcl2+
837	CHBr2	dibromomethyl radical	chbr2
838	HOClO	Chlorous acid	hoclo
839	NHF2	difluoramine	nhf2
840	NHCl2	dichloroamine	nhcl2
841	CH2FCl	fluorochloromethane	ch2fcl
842	SiH2F2	difluorosilane	sih2f2
843	CH2BrF	Methane, bromofluoro-	ch2fbr
844	CH2BrCl	Methane, bromochloro-	ch2clbr
845	CH2FI	fluoroiodomethane	ch2fi
846	CH2Br2	dibromomethane	ch2br2
847	CH2ClI	chloroiodomethane	ch2cli
848	CH2BrI	bromoiodomethane	ch2bri
849	CH2I2	Diiodomethane	ch2i2
850	SiH2Cl2	dichlorosilane	sih2cl2
851	CH3MgBr	Methyl Magnesium Bromide	ch3mgbr
852	CH2CHF+	fluoroethene cation	ch2chf+
853	C2H3Cl	Ethene, chloro-	ch2chcl
854	C2H3Br	vinyl bromide	c2h3br
855	C2H3I	Vinyl iodide	c2h3i
856	CH2FOH	fluoromethanol	ch2foh
857	CH3OCl	methyl hypochlorite	ch3ocl
858	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
859	CHClCH3	1-chloroethyl radical	chclch3
860	CH3CH2Cl	Ethyl chloride	c2h5cl
861	CH3SiFH2	fluoromethylsilane	ch3sifh2
862	C2H5Br	Ethyl bromide	etbr
863	C2H5I	Ethyl iodide	c2h5i
864	KrF2	Krypton difluoride	krf2
865	XeF2	Xenon difluoride	xef2
866	B4H10	Tetraborane(10)	b4h10
867	C4+	Carbon tetramer cation	c4+
868	C4H2+	diacetlyene cation	c4h2+
869	C4H4	cyclobutadiene	cbd
870	C4H4	Tetrahedrane	c4h4
871	CHCCH2CH3	1-Butyne	c107006
872	CH3CHCHCH2	methylallyl radical	c4h7
873	C4H8	methylcyclopropane	mcp
874	CH2CHCH2CH3	1-Butene	bute1
875	B(CH3)3	trimethylborane	bme3
876	Al(CH3)3	trimethyl aluminum	tma
877	SiH(CH3)3	trimethylsilane	trimsi
878	Li3N	trilithium nitride	li3n
879	C2N2+	Cyanogen cation	c2n2+
880	P4	Phosphorus tetramer	p4
881	As4	Arsenic tetramer	as4
882	HCCCN+	Cyanoacetylene cation	hcccn+
883	H2CNCN	cyanamide, methylene	ch2ncn
884	HNCCNH	Ethenediimine	hnccnh
885	C3H3N+	acrylonitrile cation	ch2chcn+
886	CH3N3	methyl azide	ch3n3
887	NH2CCNH2	Diaminoacetylene	daa
888	NH2CH2CN	Aminoacetonitrile	aan
889	CH3NHN2+	methyl azide, protonated	ch3nhn2+
890	C2H5CN	ethyl cyanide	c2h5cn
891	CH5N3	Guanidine	guanidine
892	C4H6	Bicyclo[1.1.0]butane	c157335
893	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
894	H2NCHCHNH2	diaminoethylene	dae
895	CH6N3+	guanidinium	ch6n3+
896	CH7N3	triaminomethane	tam
897	C3H7N	Azetidine	azet
898	CH3NHNHCH3	dimethyl hydrazine	dmh
899	NH2CH2CH2CH3	1-Propanamine	pram1
900	P(CH3)3	trimethylphosphine	tmp
901	N(SiH3)3	trisilylamine	tsa
902	As(CH3)3	trimethyl arsine	tmas
903	(CH3)3NH+	protonated trimethyl amine	ptma
904	C3H7NH3+	n-propylamine, protonated	c3h7nh2
905	Li2O2	dilithium dioxide	li2o2
906	Na2O2	disodium dioxide	na2o2
907	K2O2	dipotassium dioxide	k2o2
908	C3O	Tricarbon monoxide	c3o
909	ONNO	NO dimer	onno
910	CO3	Carbon trioxide	co3
911	NO3-	nitrate anion	no3-
912	NO3+	nitrogen trioxide cation	no3+
913	SO3-	Sulfur trioxide anion	so3-
914	SO3--	Sulfate dianion	so3--
915	SO3+	Sulfur trioxide cation	so3+
916	SeO3	selenium trioxide	seo3
917	TeO3	Tellurium trioxide	teo3
918	HCO3-	bicarbonate anion	hco3-
919	HSO3	Hydroxysulfonyl radical	hso3
920	NH2NO2	nitramide	nh2no2
921	C2H2CO	cyclopropenone	c2h2co
922	C3H2O	Propadienal	c3h2o
923	HCCCHO	2-propynal	hcccho
924	C2H2O2+	Ethanedial cation	c2h2o2+
925	H2CO3	Carbonic acid	h2co3
926	H2CS3	thiocarbonic acid	h2cs3
927	H2NO3+	Nitric Acid, Protonated	h2no3+
928	H2SO3	Sulfurous acid	h2so3
929	C2H3NO	Nitrosoethylene	c2h3no
930	CH3NCO	methylisocyante	ch3nco
931	HOCH2CN	cyanomethanol	hoch2cn
932	NH2COOH	Carbamic acid	nh2cooh
933	H3BO3	Boric acid	h3bo3
934	H3CO3+	carbonic acid, protonated	h3co3+
935	C3H4O	2-Propyn-1-ol	c107197
936	C3H4O	Methylketene	c6004440
937	NH2CONH2+	Urea cation	urea+
938	NH2CSNH2	Thiourea	thiourea
939	C2H4O2	1,3-dioxetane	c2h4o2
940	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
941	NH3COOH+	protonated Carbamic acid	nh3cooh+
942	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
943	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
944	HCOOHH2O	Formic acid water dimer	hcoohh2o
945	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
946	CH3COCH2	Acetonyl radical	ch3coch2
947	CH2C(OH)NH2	1-amino vinyl alchohol	ava
948	CH3C(OH)=NH	Ethaninidic acid	eia
949	HCONHCH3	N-methylformamide	nmfa
950	CH5N2O+	urea, N-protonated	ch4n2o+
951	H2NCOHNH2+	urea, protonated	ureah+
952	C2H5OO	ethylperoxy radical	c2h5oo
953	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
954	C3H5OH	Cyclopropanol	cproh
955	C3H6O	2-Propen-1-ol	c107186
956	C3H6O	Acetone enol	enol
957	C3H6O	Oxetane	oxetane
958	CH3COCH3-	acetone anion	ch3coch3-
959	C3H6S	Thietane	thietane
960	C3H6S	Thiirane, methyl-	methiirane
961	CH3CSCH3	Thioacetone	ch3csch3
962	CH3OOCH3	dimethylperoxide	dmp
963	CH3SOCH3	Dimethyl sulfoxide	dmso
964	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
965	CH3SSCH3	Disulfide, dimethyl	ch3ssch3
966	CH3COHCH3+	acetone, protonated	acetoneh+
967	HOCH2CH2NH2	monoethanolamine	mea
968	C3H7SH	1-Propanethiol	prsh
969	CH3CHSHCH3	2-Propanethiol	isoprsh
970	CH3SCH2CH3	Ethane, (methylthio)-	etsme
971	H2OCH3OCH3	water dimethylether dimer	h2och3och3
972	Li2F2	Lithium fluoride dimer	li2f2
973	Na2F2	Sodium Fluoride Dimer	na2f2
974	Na2Cl2	Disodium dichloride	na2cl2
975	C2Cl2	dichloroacetylene	c2cl2
976	C2Cl2+	dichloroacetylene cation	c2cl2+
977	FNO2	Nitryl fluoride	fno2
978	FONO	Nitrosyl hypofluorite	fono
979	ClNO2	Nitryl chloride	clno2
980	ClONO	chlorine nitrite	clono
981	BrONO	Bromine nitrite	brono
982	CF2O+	Carbonic difluoride cation	f2co+
983	COFCl	Carbonic chloride fluoride	cofcl
984	CCl2O	Phosgene	cl2co
985	COBr2	Carbonic dibromide	cobr2
986	BF3-	Borane, trifluoro- anion	bf3-
987	BF3+	boron trifluoride cation	bf3+
988	BClF2	Chlorodifluoroborane	bclf2
989	AlF2Cl	Aluminum chloride difluoride	alclf2
990	ScF3	Scandium trifluoride	ScF3
991	AlFCl2	Aluminum dichloride fluoride	alcl2f
992	BCl3	Borane, trichloro-	bcl3
993	BCl3+	Boron Trichloride cation	bcl3+
994	GaF3	Gallium trifluoride	gaf3
995	AlCl3	Aluminum trichloride	alcl3
996	GaCl3	Gallium trichloride	gacl3
997	BBr3	Boron tribromide	bbr3
998	AlBr3	Aluminum Bromide	albr3
999	ClO3	Chlorine trioxide	clo3
1000	ClO3-	chlorate anion	clo3-
1001	BrO3-	Bromate anion	bro3-
1002	CF3-	Trifluoromethyl anion	cf3-
1003	CF3+	Trifluoromethyl cation	cf3+
1004	CF2Cl	difluorochloromethyl radical	cf2cl
1005	SiF3	Silicon trifluoride radical	sif3
1006	SiF3+	Silicon trifluoride cation	sif3+
1007	CFCl2	dichlorofluoromethyl radical	cfcl2
1008	CCl3	Trichloromethyl radical	ccl3
1009	CCl3-	Trichloromethyl anion	ccl3-
1010	CCl3+	Trichloromethyl cation	ccl3+
1011	SiCl3	trichlorosilyl radical	sicl3
1012	SiCl3+	trichlorosilyl cation	sicl3+
1013	CBr3	tribromomethyl radical	cbr3
1014	FOOF	Perfluoroperoxide	foof
1015	ClOOCl	Dichlorine dioxide	cloocl
1016	SOCl2	thionyl chloride	socl2
1017	SeOCl2	selenium oxychloride	seocl2
1018	NF3-	Nitrogen trifluoride anion	nf3-
1019	NF3+	Nitrogen trifluoride cation	nf3+
1020	PF3	Phosphorus trifluoride	pf3
1021	NCl3	nitrogen trichloride	ncl3
1022	AsF3	Arsenic trifluoride	asf3
1023	PCl3	Phosphorus trichloride	pcl3
1024	SbF3	Antimony Trifluoride	sbf3
1025	AsCl3	Arsenous trichloride	ascl3
1026	SbCl3	Antimony Trichloride	sbcl3
1027	NBr3	Nitrogen Tribromide	nbr3
1028	PBr3	Phosphorus tribromide	pbr3
1029	AsBr3	Arsenic tribromide	asbr3
1030	NI3	Nitrogen triiodide	ni3
1031	PI3	Phosphorus triiodide	pi3
1032	ClSSCl	Disulfur dichloride	s2cl2
1033	BrF3	Bromine trifluoride	brf3
1034	IF3	iodone trifluoride	if3
1035	CHF2Cl	difluorochloromethane	chf2cl
1036	SiHF3	trifluorosilane	sihf3
1037	CHFCl2	fluorodichloromethane	chfcl2
1038	CDCl3	trichloromethane-d	cdcl3
1039	CHCl3	Chloroform	chcl3
1040	CHBrF2	Methane, bromodifluoro-	chbrf2
1041	SiHCl3	Trichlorosilane	sihcl3
1042	CHFClBr	fluorochlorobromomethane	chfclbr
1043	CHBrCl2	Methane, bromodichloro-	chbrcl2
1044	CHF2I	difluoroiodomethane	chf2i
1045	CHBr2F	dibromofluoromethane	chbr2f
1046	CHFClI	fluorochloroiodomethane	chfcli
1047	CHCl2I	dichloroiodomethane	chcl2i
1048	CHClBr2	Methane, dibromochloro-	chclbr2
1049	CHBr3	bromoform	chbr3
1050	CHI3	Iodoform	chi3
1051	NF3H+	protonated nitrogen trifluoride	nf3h+
1052	AsF3H+	Arsenic trifluoride, protonated	asf3h+
1053	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1054	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
1055	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1056	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1057	CH2CCl2	Ethene, 1,1-dichloro-	ch2ccl2
1058	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
1059	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
1060	C2H2Br2	1,1-dibromoethene	c2h2br2
1061	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1062	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1063	CH2FCHO	Fluoroacetaldehyde	ch2fcho
1064	CH2ClCHO	chloroacetaldehyde	ch2clcho
1065	CH3COCl	Acetyl Chloride	ch3cocl
1066	C2H4F2	1,2-difluoroethane	c2h4f2
1067	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1068	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1069	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1070	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
1071	CH2BrCH2Cl	1-bromo-2-chloroethane	ch2brch2cl
1072	CH2BrCH2Br	Ethane, 1,2-dibromo-	ch2brch2br
1073	CH2CFCH3	2-fluoropropene	2fpro
1074	CH2CHCH2F	Allyl Fluoride	allylf
1075	CH3CHCHF	trans-1-Fluoro-1-propene	propene1ft
1076	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
1077	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
1078	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
1079	CH2FCH2OH	2-fluoroethanol	ch2fch2oh
1080	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
1081	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
1082	CH2FCH2CH3	1-Fluoropropane	prf1
1083	CH3CHFCH3	2-Fluoropropane	prf2
1084	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
1085	CH3CHClCH3	Propane, 2-chloro-	prcl2
1086	CH3CH2CH2Br	n-propyl bromide	prbr
1087	CH3CHBrCH3	i-propyl bromide	iprbr
1088	C3H9O+	trimethyl oxonium cation	c3h9o+
1089	B5H9	pentaborane9	b5h9
1090	C5H4	pentatetraene	ptrene
1091	C5H5	cyclopentadienyl radical	c5h5
1092	C5H6	Propellane	propellane
1093	C5H7	1,3-pentadienyl radical	pdyl
1094	C5H7	cyclopentenyl radical	cpyl
1095	C5H8	1-pentyne	a1pentyne
1096	C5H8	Bicyclo[1.1.1]pentane	bcp
1097	C5H8	Ethenylcyclopropane	c693867
1098	CH3CCCH2CH3	2-Pentyne	2pentyne
1099	Si(CH3)4	tetramethylsilane	tms
1100	CH2N4	1H-Tetrazole	1htz
1101	C3H3N2	imidazolyl radical	im
1102	C3H3N2-	imidizolyl anion	im-
1103	C2H3N3	1H-1,2,4-Triazole	c288880
1104	C4H4N	pyrrolide radical	c4h4n
1105	C4H4N-	pyrrolide anion	c4h4n-
1106	C3H4N2	2H-Imidazole	imid2h
1107	C3H4N2	4H-Imidazole	imid4h
1108	C4H5N	2H-pyrrole	pyrrole2
1109	C4H5N	3H-pyrrole	pyrrole3
1110	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1111	C4H6N+	pyrrole, alpha-protonated	appyr
1112	C4H6N+	pyrrole, beta-protonated	bppyr
1113	C4H6N+	pyrrole, protonated	ppyr
1114	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1115	CH3CH2CH2CN	Butanenitrile	c109740
1116	NH(C2H5)2	diethylamine	dea
1117	NC4H12+	tetramethyl ammonium cation	nc4h12+
1118	C3O2+	Carbon suboxide cation	c3o2+
1119	B2O3	diboron trioxide	b2o3
1120	MgCO3	Magnesium Carbonate	mgco3
1121	BeCO3	Beryllium Carbonate	beco3
1122	CaCO3	Calcium Carbonate	caco3
1123	ONONO	Nitrosyl nitrite	onono
1124	PO4---	phosphate	po4---
1125	SO4--	sulfate	so4--
1126	HOONO2	peroxy nitric acid	hoono2
1127	HSO4-	bisulfate anion	hso4-
1128	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1129	C3H2O2	Propiolic acid	c3h2o2
1130	CHOCOOH	oxo acetic acid	oaa
1131	CHOOCHO	diformyl ether	choocho
1132	H2SO4	Sulfuric acid	h2so4
1133	H2SeO4	Selenic acid	h2seo4
1134	C3H3NO	Oxazole	oxazole
1135	C3H3NS	Thiazole	thiazole
1136	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1137	H3PO4	Phosphoric Acid	h3po4
1138	C4H4O+	Furan cation	furan+
1139	CH3COCCH	3-butyn-2-one	c1423605
1140	C4H4S	Thiophene	furans
1141	C4H4Se	selenophene	c4h4se
1142	C3H4O2	Methyl glyoxal	megly
1143	HOCHCCHOH	allenediol	aldiol
1144	C2H4O3	1,2,3-trioxolane	c2h4o3
1145	C2H4O3	trioxolane124	triox
1146	HOCH2COOH	Hydroxyacetic acid	hac
1147	CH5N3S	Hydrazinecarbothioamide	c79196
1148	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1149	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1150	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1151	CH2CHSCHCH2	Divinyl sulfide	divis
1152	CH3CH2COOH	Propanoic Acid	propanoic
1153	HCOOC2H5	Ethyl formate	faee
1154	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1155	C3H7NO	dimethylformamide	dmf
1156	C4H8O	Furan, tetrahydro-	thf
1157	C4H8S	Thiophene, tetrahydro-	tht
1158	C3H8O2	Methane, dimethoxy-	c109875
1159	C3H8S2	1,3-Propanedithiol	c109808
1160	C4H10O	1-Butanol	butanol1
1161	C4H10O	Methyl propyl ether	meopr
1162	C4H10O+	1-Butanol cation	butanol1+
1163	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1164	C2H5SC2H5	Diethyl sulfide	etset
1165	C4H9SH	1-Butanethiol	bush
1166	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1167	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1168	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1169	ClONO2	Chlorine nitrate	clono2
1170	BrONO2	Bromine nitrate	brono2
1171	TiCl4	Titanium tetrachloride	ticl4
1172	ClO4-	perchlorate anion	clo4-
1173	ClFO3	Perchloryl fluoride	clfo3
1174	SO2F2	Sulfuryl fluoride	so2f2
1175	SO2Cl2	Sulfuryl chloride	so2cl2
1176	F3PO	Phosphoryl fluoride	pf3o
1177	Cl3PO	Phosphoryl chloride	pcl3o
1178	CF3Cl	Methane, chlorotrifluoro-	cf3cl
1179	SiF4	Silicon tetrafluoride	sif4
1180	TiF4	Titanium tetrafluoride	tif4
1181	CFCl3	Trichloromonofluoromethane	cfcl3
1182	CF3Br	Bromotrifluoromethane	cf3br
1183	GeF4	Germanium tetrafluoride	gef4
1184	CCl4	Carbon tetrachloride	ccl4
1185	CCl4+	Carbon tetrachloride cation	ccl4+
1186	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1187	SiCl4	Silane, tetrachloro-	sicl4
1188	CBrCl2F	bromodichlorofluoromethane	cbrcl2f
1189	CF3I	trifluoroiodomethane	cf3i
1190	CBrCl3	Methane, bromotrichloro-	cbrcl3
1191	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1192	GeCl4	Germanium Tetrachloride	gecl4
1193	CBr2ClF	dibromochlorofluoromethane	cbr2clf
1194	CBr2Cl2	dibromodichloromethane	cbr2cl2
1195	CCl3I	trichloroiodomethane	ccl3i
1196	CFBr3	fluorotribromomethane	cfbr3
1197	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1198	CBr3Cl	tribromochloromethane	cbr3cl
1199	CF2I2	difluorodiiodomethane	cf2i2
1200	CBr4	Carbon tetrabromide	cbr4
1201	CCl2I2	dichlorodiiodomethane	ccl2i2
1202	SiBr4	Silicon tetrabromide	sibr4
1203	CBr3I	tribromoiododmethane	cbr3i
1204	GeBr4	Germanium tetrabromide	gebr4
1205	CI4	tetraiodomethane	ci4
1206	SiI4	silicon tetraiodide	sii4
1207	ClOF3	Chlorine trifluoride oxide	clof3
1208	SeF4	Selenium tetrafluoride	sef4
1209	SCl4	Sulfur tetrachloride	scl4
1210	C2HF3+	Trifluoroethylene cation	c2hf3+
1211	CHClCCl2	Trichloroethylene	chclccl2
1212	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1213	HSO3F	Fluorosulfonic acid	hso3f
1214	CF3OH	trifluoromethanol	cf3oh
1215	CH2ClCCCl	1,3-dichloropropyne	ch2clcccl
1216	CHClCCHCl	1,3-dichloroallene	chclcchcl
1217	CHCl2CCH	3,3-dichloropropyne	chcl2cch
1218	CHCl2CHO	dichloroacetaldehyde	chcl2cho
1219	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1220	CHF2CH2F	Ethane, 1,1,2-trifluoro	ch2fchf2
1221	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1222	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1223	CH2ClCHCl2	1,1,2-trichloroethane	ch2clchcl2
1224	CH3CCl3	Ethane, 1,1,1-trichloro-	ch3ccl3
1225	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1226	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1227	NH3BCl3	Amminetrichloroboron	nh3bcl3
1228	CH2CClCHCH2	1,3-Butadiene, 2-chloro-	c4h5cl
1229	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1230	CH2FCH2CH2F	1,3-difluoropropane	ch2fch2ch2f
1231	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1232	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1233	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1234	CH3CCl2CH3	Propane, 2,2-dichloro-	prdicl22
1235	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1236	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1237	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1238	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1239	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1240	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1241	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1242	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1243	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1244	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1245	C4H9F	1-fluorobutane	butaf1
1246	CH3CHFCH2CH3	2-fluorobutane	butaf2
1247	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1248	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1249	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1250	XeF4	Xenon tetrafluoride	xef4
1251	C2H2N2O	Furazan	furazan
1252	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1253	NH3BF3	Amminetrifluoroboron	nh3bf3
1254	C6H2	hexatriyne	c6h2
1255	C6H4	Benzyne	benzyne
1256	C6H5-	phenyl anion	phenyl-
1257	C6H6	Prismane	prismane
1258	C6H6	1,2,4,5-Hexatetraene	ht1245
1259	C6H6	3,4-Dimethylenecyclobutene	cb34m
1260	C6H6	Benzvalene	bv
1261	C6H6	Dewar Benzene	dewar
1262	C6H6	Hexa-1,5-diene-3-yne	hdy153
1263	C6H6	Trimethylenecycopropane	tmcp
1264	C6H6+	Benzene cation	c6h6+
1265	C6H7+	benzene, protonated	c6h7+
1266	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1267	C6H10	1,5-Hexadiene	c592427
1268	C6H10	3-Hexyne	hexyne3
1269	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1270	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1271	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1272	C6H12	(E)-2-Hexene	e2hexene
1273	C6H12	(E)-hex-3-ene	e3hexene
1274	C6H12	(Z)-hex-2-ene	z2hexene
1275	C6H12	(Z)-hex-3-ene	z3hexene
1276	C6H12	2,3-dimethylbut-1-ene	c563780
1277	C6H12	2,3-dimethyl-but-2-ene	tmeet
1278	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1279	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1280	N3P3	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1281	C4H2N2	Fumaronitrile	c4h2n2
1282	C2H2N4	sym-tetrazine	ttz
1283	C5H5N	E-2,4-pentadienenitrile	bdcn
1284	B3N3H6	borazine	borazine
1285	C5H6N+	Pyridinium	c5h6n
1286	C6H10	Bicyclo[3.1.0]hexane	c285585
1287	Li2CO3	Lithium Carbonate	li2co3
1288	Na2CO3	Sodium Carbonate	na2co3
1289	C2O4--	oxalate anion	c2o4
1290	MgSO4	Magnesium Sulfate	mgso4
1291	C3H2O3	vinylene carbonate	vica
1292	C2H2O4	Oxalic Acid	oxalic
1293	C4H4O2	2(5H)-Furanone	furanone
1294	C2H4N2S2	Ethanedithioamide	c79403
1295	C2H4CO3	Ethylene carbonate	etco3
1296	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1297	C3H4S3	1,3-Dithiolane-2-thione	c822388
1298	C2H4O4	Formic acid dimer	fadimer
1299	C4H5NS	4-Methylthiazole	c693958
1300	C2H5NO3	Nitric acid, ethyl ester	c625581
1301	C5H6O	2H-Pyran	pyran2
1302	C5H6O	2-methylfuran	furan2m
1303	C5H6O	3-Methylfuran	furan3m
1304	C5H6O	Pentadienal	pdal
1305	C5H6S	Thiophene, 2-methyl-	c554143
1306	C5H6S	Thiophene, 3-methyl-	c616444
1307	C4H6O2	γ–Butyrolactone	c96480
1308	C4H6O2	2,3-Butanedione	c431038
1309	C4H6O2	Crotonic Acid	crot
1310	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1311	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1312	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1313	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1314	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1315	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1316	C4H6OS	Vinyl sulfoxide	c1115157
1317	CH6N4S	Carbonothioic dihydrazide	thiacarb
1318	C3H6S3	1,3,5-Trithiane	c3h6s3
1319	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1320	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1321	C4H7NO	Ethoxyacetonitrile	etoaccn
1322	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1323	C3H7ONO	Propyl nitrite	prono
1324	C5H8O	Cyclopentanone	c120923
1325	C5H8O	Methyl cyclopropyl ketone	c765435
1326	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1327	C4H8O2	1,3-Dioxane	dioxan13
1328	C4H8O2	Ethyl acetate	c141786
1329	C4H8OS	s-Ethyl thioacetate	c625605
1330	C3H8O2S	(Methylsulfonyl)ethane	c594434
1331	C5H10O	2-methylbutyraldehyde	2meba
1332	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1333	C5H10S	3-Ethylthio-1-propene	c5296628
1334	C5H10S	Cyclopentanethiol	c1679078
1335	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1336	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1337	C4H10OS	Diethyl sulfoxide	c70291
1338	C4H10S2	1,4-Butanedithiol	budisl14
1339	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1340	C5H12S	1-Butanethiol, 3-methyl-	c541311
1341	C5H12S	1-Pentanethiol	c110667
1342	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1343	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1344	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1345	C5H12S	Butane, 1-(methylthio)-	c628295
1346	C5H12S	Ethyl propyl sulfide	c4110503
1347	C5H12S	Propane, 2-(ethylthio)-	c5145993
1348	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1349	C4F2	difluorobutadiyne	c4f2
1350	ClCOClCO	Oxalyl chloride	oxcl
1351	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1352	C2F4+	Tetrafluoroethylene cation	c2f4+
1353	C2ClF3	Ethene, chlorotrifluoro-	c2f3cl
1354	CF2CCl2	difluorodichloroethylene	cf2ccl2
1355	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1356	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1357	C2FCl3	fluorotrichloroethene	c2fcl3
1358	C2Cl4	Tetrachloroethylene	c2cl4
1359	C2Br4	tetrabromoethene	c2br4
1360	AsF5	Arsenic pentafluoride	asf5
1361	PCl5	Phosphorus pentachloride	pcl5
1362	SF5	Sulfur pentafluoride	sf5
1363	SF5+	pentafluoro sulfur cation	sf5+
1364	SbCl5	Antimony pentachloride	sbcl5
1365	BrF5	bromine pentafluoride	brf5
1366	ClF5	chlorinepentafluoride	clf5
1367	IF5	pentafluoroiodine	if5
1368	CF3CHO	trifluoroacetaldehyde	cf3cho
1369	CCl3CHO	trichloroacetaldehyde	ccl3cho
1370	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1371	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1372	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1373	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1374	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1375	CH2ClCCl3	1,1,1,2-tetrachloroethane	ch2clccl3
1376	CH2BrCBr3	1,1,1,2-tetrabromo ethane	c2h2br4
1377	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1378	CF3COOH	trifluoroacetic acid	cf3cooh
1379	C4H3ClO	Furan, 2-chloro	fur2cl
1380	C4H3ClO	Furan,3-chloro	fur3cl
1381	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1382	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1383	C4H8Cl2	1,4-Dichlorobutane	c110565
1384	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1385	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1386	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1387	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1388	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1389	C5H11Cl	Pentane, 1-chloro-	pencl1
1390	C4H8O2	Butanoic acid	bua
1391	C7H7	cycloheptatrienyl radical	c7h7
1392	C7H7+	cycloheptatrienyl cation	c7h7+
1393	C7H8	cycloheptatriene	cht
1394	C7H8	Norbornadiene	norbor
1395	C7H8	Quadricyclane	qucy
1396	C7H14	cycloheptane	c7h14
1397	C7H16	3-methylhexane	hex3m
1398	CH(CN)3	tricyanomethane	mecn3
1399	HN=C=C(CN)2	Dicyanoketenimine	c4hn3
1400	C6H7N	2-Methylpyridine	mp
1401	C6H13N	2-Methylpiperidine	pip2m
1402	C6H13N	cyclohexanamine	cham
1403	C6H15N	triethylamine	tea
1404	N2O5	Dinitrogen pentoxide	n2o5
1405	C4H2O3	Maleic Anhydride	malan
1406	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1407	C5H4O2	furfural	furfural
1408	C6H5O	phenoxy radical	phenoxy
1409	C5H5NO	2(1H)-Pyridinone	c72762006
1410	C5H5NO	2(3H)-Pyridinone	c9000048
1411	C5H5NO	2(5H)-Pyridinone	c9000037
1412	C5H5NO	2-Pyridinol	c109104
1413	C5H5NO	3(2H)-Pyridinone	c9000004
1414	C5H5NO	3(4H)-Pyridinone	c9000026
1415	C5H5NO	3(6H)-Pyridinone	c9000015
1416	C5H5NO	3-Pyridinol	c109002
1417	C5H5NO	4(1H)-Pryidinone	c9000060
1418	C5H5NO	4(3H)-Pryidinone	c9000059
1419	C5H5NO	4-Pyridinol	c626642
1420	C6H6O	2,4-Cyclohexadienone	c24599573
1421	C6H6O	2,5-Cyclohexadienone	c5664335
1422	C6H5SH	Benzenethiol	phsh
1423	HO2CCHNH2CH2OH	Serine	serine
1424	C5H8O2	Acetylacetone	acac
1425	C4H8O2S	Sulfolane	sulfolane
1426	C7H10	Norbornene	norbornene
1427	CH(C2H3)3	trivinyl methane	tvm
1428	C6H12O	hexanal	c6h12o
1429	C6H12O	Oxepane	oxepane
1430	C3H7OC3H7	di-n-propyl ether	propr
1431	F2CCCF2	tetrafluoroallene	pfa
1432	CF3COO-	trifluoro acetate anion	cf3coo-
1433	CF3COF	trifluoroacetyl fluoride	cf3cof
1434	CF3COCl	trifluoroacetyl chloride	cf3cocl
1435	PF6	Hexafluorophosphate neutral	pf6
1436	SF6	Sulfur Hexafluoride	sf6
1437	SeF6	Selenium hexafluoride	sef6
1438	CF3CHF2	pentafluoroethane	cf3chf2
1439	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1440	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1441	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1442	CCl3CHCl2	pentachloroethane	ccl3chcl2
1443	C6H5Cl	chlorobenzene	bzcl
1444	C6H5Br	bromobenzene	bzbr
1445	C8H6	Calicene	calicene
1446	C8H6	benzocyclobutadiene	bcbd
1447	C8H6	Pentalene	pentalene
1448	CH3C6H4CH3	meta-xylene	mxylene
1449	CH3C6H4CH3	paraxylene	pxylene
1450	C8H14	Bicyclo[2.2.2]octane	bico222
1451	C8H16	cyclooctane	cyclooct
1452	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1453	C8H18	Octane	c8h18
1454	C6H12N2	Triethylenediamine	ted
1455	C4O4--	squarate dianion	c4o4--
1456	S4N4	Tetrasulfur tetranitride	s4n4
1457	S8	Octasulfur	s8
1458	C6H4O2	parabenzoquinone	pbq
1459	C4H4N2O2	Uracil	uracil
1460	C5H9NO2	Proline	proline
1461	C6H12O2	Methyl pivalate	c598981
1462	C6H12O2	Hexanoic acid	hexa
1463	C4F4	tetrafluorcyclobutadiene	c4f4
1464	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1465	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1466	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1467	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1468	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1469	C2Cl6	hexachloroethane	c2cl6
1470	IF7	Iodine heptafluoride	if7
1471	C6H4F2	metadifluorobenzene	mdfb
1472	C6H4F2	orthodifluorobenzene	odfb
1473	C6H4F2	1,4-difluorobenzene	pdfb
1474	C6H4Cl2	1,2-dichlorobenzene	dcb12
1475	C6H4Cl2	1,3-dichlorobenzene	dcb13
1476	C6H4Cl2	1,4-dichlorobenzene	dcb14
1477	C6H5NO	nitrosobenzene	bzno
1478	C9H8	Indene	indene
1479	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1480	C9H12	n-propyl benzene	prbz
1481	C9H20	Nonane	nonane
1482	C(CN)4	tetracyanomethane	c5n4
1483	C5H4N4	purine	purine
1484	C8H7N	Indole	indole
1485	C3H3N3O3	cyanuric acid	cyanuric
1486	CH3COC6H5	acetophenone	acph
1487	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1488	C3F6	hexafluoropropene	c3f6
1489	C6H3F3	Benzene trifluoride 123	bzf3a
1490	C8H18O	1-Octanol	octanol
1491	C10H8	Azulene	azu
1492	C10H10	bullvalene	bullv
1493	C6N4	Tetracyanoethylene	tcne
1494	C6N4-	tetracyanoethylene anion	tcne-
1495	C10H22	Decane	decane
1496	C4F6	perfluorobutadiene	c4f6
1497	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1498	C3F8	perfluoropropane	c3f8
1499	Fe(CO)5	Iron pentacarbonyl	ipc
1500	Fe(C5H5)2	ferrocene	fecp2
1501	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1502	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1503	C12H8	Acenaphthylene	acenaph
1504	C12H8	biphenylene	biph
1505	C12H10	Heptalene	heptalene
1506	C6H12O6	Inositol	inositol
1507	C6F6	hexafluorobenzene	c6f6
1508	S2F10	disulphur decafluoride	s2f10
1509	C13H10	Fluorene	fluorene
1510	C14H10	Anthracene	anth
1511	C14H10	Phenanthrene	phenanthrene
1512	C14H14	Bibenzyl	bibenzyl
1513	C12H10N2	azobenzene	azobenzene
1514	C6H5COC6H5	benzophenone	benzophenone
1515	C16H10	Pyrene	pyrene
1516	C18H12	Tetracene	tetracene
1517	C19H16	Triphenylmethane	tpm
1518	C24H12	Coronene	coronene
1519	C60	Buckminsterfullerene	c60