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
XIII	Vibrations
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

---

NIST policy on privacy, security, and accessibility.

---

© 2013 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.

Please send questions, comments, corrections, additions and suggestions to cccbdb@nist.gov.

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

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

Jump to calculations not yet done

count	Species	Name	State	Conformation
1	D	Deuterium atom	1S	Kh
2	H	Hydrogen atom	1S	Kh
3	H+	Hydrogen atom cation		Kh
4	D2	Deuterium diatomic	1Σg	D∞h
5	H2	Hydrogen diatomic	1Σg	D∞h
6	H2-	hydrogen diatomic anion	2Σu+	D∞h
7	H2+	Hydrogen cation	2Σg+	D∞h
8	HD	Deuterium hydride	1Σg	D∞h
9	H3+	hydrogen trimer cation	1A1'	D3h
10	He	Helium atom	1S	Kh
11	He2+	helium diatomic cation	2Σu	D∞h
12	Li	Lithium atom	2S	Kh
13	Na	Sodium atom	2S	Kh
14	Na+	Sodium atom cation	1S	Kh
15	LiH	Lithium Hydride	1Σ	C∞v
16	LiH-	lithium hydride anion	2Σ	C∞v
17	LiH+	lithium hydride cation	2Σ	C∞v
18	NaH	sodium hydride	1Σ	C∞v
19	NaH-	sodium hydride anion	2Σ	C∞v
20	NaH+	sodium hydride cation	2Σ	C∞v
21	Be	Beryllium atom	1S	Kh
22	Mg	Magnesium atom	1S	Kh
23	BeH	beryllium monohydride	2Σ	C∞v
24	BeH-	berylium monohydride anion	1Σ	C∞v
25	BeH+	beryllium monohydride cation	1Σ	C∞v
26	MgH	magnesium monohydride	2Σ	C∞v
27	MgH-	magnesium monohydride anion	1Σ	C∞v
28	MgH+	magnesium monohydride cation	1Σ	C∞v
29	BeH2	beryllium dihydride	1Σg	D∞h
30	MgH2	magnesium dihydride	1Σg	D∞h
31	B	Boron atom	2P	Kh
32	BH	Boron monohydride	1Σ	C∞v
33	BH-	boron monohydride anion	2Π	C∞v
34	BH+	boron monohydride cation	2Σ	C∞v
35	AlH	aluminum monohydride	1Σ	C∞v
36	BH2	boron dihydride	2A1	C2v
37	BH3	boron trihydride	1A1'	D3h
38	BH4-	borohydride anion	1A1	Td
39	C	Carbon atom	3P0	Kh
40	Si	Silicon atom	3P	Kh
41	CH	Methylidyne	2Π1/2	C∞v
42	CH-	methylidyne anion	3Σ	C∞v
43	CH+	Methylidyne cation	1Σ	C∞v
44	SiH	Silylidyne	2Π	C∞v
45	CH2	Methylene	3B1	C2v
46	CH2	Methylene	1A1	C2v
47	CH2-	methylene anion	2B1	C2v
48	CH2+	methylene cation	2A1	C2v
49	SiH2	silicon dihydride	1A1	C2v
50	SiH2	silicon dihydride	3B1	C2v
51	CH3	Methyl radical	2A1	D3h
52	CH3-	methyl anion	1A1	C3v
53	CH3+	methyl cation	1A1'	D3h
54	SiH3	Silyl radical	2A1	C3v
55	CH4	Methane	1A1	Td
56	SiH4	Silane	1A1	Td
57	P	Phosphorus atom	4S	Kh
58	NH	Imidogen	3Σ-	C∞v
59	NH	Imidogen	1Σ+	C∞v
60	NH-	Imidogen anion	2Π	C∞v
61	NH+	imidogen cation	2Π	C∞v
62	PH	phosphorus monohydride	3Σ-	C∞v
63	PH	phosphorus monohydride	1Δ	C∞v
64	ND2	Amidogen-d2	2B1	C2v
65	NH2	Amino radical	2B1	C2v
66	NH2-	amino anion	1A1	C2v
67	ND3	Ammonia-d3	1A1	C3v
68	NH3	Ammonia	1A1	C3v
69	NH3+	ammonia cation	2A2"	D3h
70	PH3	Phosphine	1A1	C3v
71	NH4+	ammonium cation	1A1	Td
72	PH4+	phosphonium cation
73	O	Oxygen atom	3S	Kh
74	S	Sulfur atom	3P	Kh
75	DO	Hydroxyl-d	2Π	C∞v
76	OH	Hydroxyl radical	2Π	C∞v
77	OH-	hydroxide anion	1Σ	C∞v
78	OH+	hydoxyl cation	3Σ	C∞v
79	OH+	hydoxyl cation	1Σ	C∞v
80	HS	Mercapto radical	2Π	C∞v
81	D2O	Deuterium oxide	1A1	C2v
82	H2O	Water	1A1	C2v
83	H2O-	water anion	2A1	C2v
84	H2O+	water cation	2B1	C2v
85	HDO	Water-d1	1A1	C2v
86	D2S	Hydrogen sulfide-d2	1A1	C2v
87	H2S	Hydrogen sulfide	1A1	C2v
88	H2S+	Hydrogen sulfide cation	2B1	C2v
89	H3O+	hydronium cation	1A1	C3v
90	H3S+	Sulfonium cation	1A1	C3v
91	F	Fluorine atom	2P	Kh
92	Cl	Chlorine atom	2P	Kh
93	DF	Hydrofluoric acid-d	1Σ	C∞v
94	HF	Hydrogen fluoride	1Σ	C∞v
95	HF-	hydrogen fluoride anion	2Σ	C∞v
96	HF+	hydrogen fluoride cation	2Π	C∞v
97	HCl	Hydrogen chloride	1Σ	C∞v
98	HCl+	hydrogen chloride cation	2Π	C∞v
99	H2F+	dihydrogen fluoride cation	1A1	C2v
100	H2Cl+	dihydrogen monochloride cation	1A1	C2v
101	Ne	Neon atom	1S	Kh
102	NeH+	neon hydrogen cation	1Σ	C∞v
103	Li2	Lithium diatomic	1Σg	D∞v
104	Li2-	lithium diatomic anion	2Σu	D∞h
105	Li2+	lithium diatomic cation	2Σg	D∞h
106	NaLi	lithium sodium	1Σ	C∞v
107	NaLi-	lithium sodium anion	2Σ	C∞v
108	NaLi+	lithium sodium cation	2Σ	C∞v
109	Na2	Sodium diatomic	1Σg	D∞h
110	Na2-	sodium diatomic anion	2Σu	D∞h
111	Na2+	sodium diatomic cation	2Σg	D∞h
112	Be2-	Beryllium diatomic anion	2Πu	D∞h
113	Be2+	Beryllium diatomic cation	2Σu	D∞h
114	Mg2	Magnesium diatomic	1Σg	D∞h
115	Mg2-	magnesium diatomic anion	2ΠU	D∞h
116	Mg2+	magnesium diatomic cation	2Σu	D∞h
117	B2	Boron diatomic	3Σg	D∞h
118	B2	Boron diatomic	1Σg	D∞h
119	B2	Boron diatomic	5Σu	D∞h
120	B2-	Boron diatomic anion	4Σg	D∞h
121	BAl	Boron Aluminum	3Σ	C∞v
122	B2H6	Diborane	1Ag	D2h
123	BC-	boron monocarbide anion	3Πu	C∞v
124	BC-	boron monocarbide anion	1Σg+	C∞v
125	BC+	boron monocarbide cation	3Σ	C∞v
126	BC+	boron monocarbide cation	1Σ	C∞v
127	AlC	Aluminum carbide	4Σ	C∞v
128	C2	Carbon diatomic	1Σg+	D∞h
129	C2	Carbon diatomic	3Πu	D∞h
130	C2-	carbon diatomic anion	2Σg	D∞h
131	C2+	carbon diatomic cation	2Π	D∞h
132	SiC	silicon monocarbide	3Σ	C∞v
133	SiC	silicon monocarbide	1Σ	C∞v
134	Si2	Silicon diatomic	3Σg	D∞h
135	C2H	Ethynyl radical	2Σ	C∞v
136	C2H2	Acetylene	1Σg	D∞h
137	C2H2+	acetylene cation	2Πu	D∞h
138	CCH2	vinylidene	1A1	C2v
139	C2H3	vinyl	2A'	Cs
140	C2H4	Ethylene	1Ag	D2h
141	C2H5	Ethyl radical	2A'	Cs
142	C2H6	Ethane	1A1g	D3d
143	Si2H6	disilane	1Eu	D3d
144	BeN-	Beryllium mononitride anion	1Σ	C∞v
145	BN-	boron nitride anion	2Σ	C∞v
146	BN	boron nitride	3Π	C∞v
147	BN	boron nitride	1Σ	C∞v
148	BN+	boron nitride cation	2Π	C∞v
149	AlN	Aluminum nitride	3Πi	C∞v
150	CN	Cyano radical	2Σ	C∞v
151	CN-	cyanide anion	1Σ	C∞v
152	CN+	Cyano cation	1Σ	C∞v
153	CP	Carbon monophosphide	2Σ	C∞v
154	SiN	Silicon nitride	2Σ	C∞v
155	SiP	Silicon monophosphide	2Π	C∞v
156	N2	Nitrogen diatomic	1Σg	D∞h
157	N2-	nitrogen diatomic anion	2Πg	D∞h
158	N2+	diatomic nitrogen cation	2Σg	D∞h
159	PN	Phosphorus mononitride	1Σ	C∞v
160	P2	Phosphorus diatomic	1Σg	D∞h
161	HNC	hydrogen isocyanide	1Σ	C∞v
162	HCN	Hydrogen cyanide	1Σ	C∞v
163	HCN+	hydrogen cyanide cation	2Π	C∞v
164	NNH	Dinitrogen monohydride	2A'	Cs
165	N2H2	(E)-diazene	1Ag	C2h
166	CH2NH	Methanimine	1A'	Cs
167	CH2PH	Phosphaethene	1A'	Cs
168	CH2NH2+	methyleneamine cation	1A1	C2v
169	N2H4	Hydrazine	1A	C2
170	CH3NH2	methyl amine	1A'	Cs
171	BH3PH3	borane phosphine
172	LiO	lithium oxide	2Σ	C∞v
173	LiO-	lithium oxide anion	1Σ	C∞v
174	LiO+	lithium oxide cation	3Σ	C∞v
175	LiO+	lithium oxide cation	1Σ	C∞v
176	LiS	Lithium monosulfide	2Π	C∞v
177	NaO	sodium monoxide	2Σ	C∞v
178	NaO-	sodium oxide anion	1Σ	C∞v
179	NaO+	sodium oxide cation	3Σ	C∞v
180	BeO	beryllium oxide	1Σ	C∞v
181	BeO-	Beryllium monoxide anion	2Σ	C∞v
182	BeO+	Beryllium monoxide cation	2Π	C∞v
183	BeS	beryllium sulfide	1Σ	C∞v
184	MgO	magnesium oxide	1Σ+	C∞v
185	MgO-	magnesium oxide anion	2Σ	C∞v
186	MgO+	magnesium oxide cation	2Π	C∞v
187	MgS	magnesium sulfide	1Σ	C∞v
188	CaS	Calcium sulfide	1Σ	C∞v
189	BO	boron monoxide	2Σ	C∞v
190	BO-	boron monoxide anion	1Σ	C∞v
191	AlO	Aluminum monoxide	2Σ	C∞v
192	BS	boron sulfide	2Σ	C∞v
193	AlS	Aluminum sulfide	2Σ	C∞v
194	BO+	boron monoxide cation	1Σ	C∞v
195	CO	Carbon monoxide	1Σ	C∞v
196	CO-	carbon monoxide anion	2Π	C∞v
197	CO+	carbon monoxide cation	2Σ	C∞v
198	CS	carbon monosulfide	1Σ	C∞v
199	SiO	Silicon monoxide	1Σ	C∞v
200	SiS	silicon monosulfide	1Σ	C∞v
201	GeO	Germanium monoxide	1Σ	C∞v
202	SiSe	Silicon Monoselenide
203	NO	Nitric oxide	2Π	C∞v
204	NO-	nitric oxide anion	3Σ	C∞v
205	NO-	nitric oxide anion	1Δ	C∞v
206	NO+	nitric oxide cation	1Σ	C∞v
207	PO	Phosphorus monoxide	2Π	C∞v
208	PS	phosphorus sulfide	2Σ	C∞v
209	O2	Oxygen diatomic	3Σg	D∞h
210	O2-	oxygen diatomic anion	2Π	D∞h
211	O2+	diatomic oxygen cation	2Πg	D∞h
212	SO	Sulfur monoxide	3Σ	C∞v
213	S2	Sulfur diatomic	3Σg	D∞h
214	S2+	sulfur diatomic cation	2Π	D∞h
215	Se2	Selenium diatomic	3Σg	D∞h
216	LiOH	lithium hydroxide	1Σ	C∞v
217	NaOH	sodium hydroxide	1Σ	C∞v
218	BeOH	beryllium monohydroxide	2A'	Cs
219	MgOH	magnesium hydroxide	2A'	Cs
220	HBO	Boron hydride oxide	1Σ	C∞v
221	HCO	Formyl radical	2A'	Cs
222	HNO	Nitrosyl hydride	1A'	Cs
223	HO2	Hydroperoxy radical	2A"	Cs
224	HSO+	Sulfur Monoxide, S-protonated
225	SOH	Sulfur Hydroxide
226	SOH+	Sulfur Monoxide, protonated
227	H2CO	Formaldehyde	1A1	C2v
228	H2CO+	formaldehyde cation	2B2	C2v
229	H2CS	Thioformaldehyde	1A1	C2v
230	H2CSe	Selenoformaldehyde
231	H2O2	Hydrogen peroxide	1A	C2
232	H2S2	Disulfane	1A	C2
233	H2S2+	hydrogen disulfide cation	2Bg	C2h
234	CH2OH	Hydroxymethyl radical	2A	C1
235	CH2OH+	hydroxymethyl cation	1A'	Cs
236	CH3O	Methoxy radical	2A'	C1
237	H2CSH+	Thioformaldehyde, protonated	1A'	Cs
238	NH2OH	hydroxylamine	1A'	Cs
239	H2POH	Phosphinous acid	1A1'	CS trans
240	H2POH	Phosphinous acid	1A1'	CS cis
241	H3PO	Phosphine oxide	1A1	C3v
242	CH3OH	Methyl alcohol	1A'	Cs
243	CH3SH	Methanethiol	1A'	Cs
244	CH3SH2+	protonated methylsulfide	1A'	Cs
245	LiF	lithium fluoride	1Σ	C∞v
246	LiCl	lithium chloride	1Σ	C∞v
247	NaF	sodium fluoride	1Σ	C∞v
248	NaF-	sodium fluoride anion	2Σ	C∞v
249	NaF+	sodium fluoride cation	2Σ	C∞v
250	LiF-	lithium fluoride anion	2Σ	C∞v
251	LiF+	lithium fluoride cation	2Π	C∞v
252	BeF	Beryllium monofluoride	2Σ	C∞v
253	BeF-	Beryllium monofluoride anion	1Σ	C∞v
254	BeF+	Beryllium monofluoride cation	1Σ	C∞v
255	MgF	Magnesium monofluoride	2Σ	C∞v
256	MgF-	magnesium fluoride anion	1Σ	C∞v
257	MgF+	magnesium fluoride cation	1Σ	C∞v
258	BF	Boron monofluoride	1Σ	C∞v
259	BF-	Boron monofluoride anion	2Π	C∞v
260	BF+	Boron monofluoride cation	2Σ	C∞v
261	AlF	Aluminum monofluoride	1Σ+	C∞v
262	BCl	boron monochloride	1Σ	C∞v
263	AlCl	Aluminum monochloride	1Σ	C∞v
264	CF	Fluoromethylidyne	2Π	C∞v
265	CF-	carbon monofluoride anion	3Σ	C∞v
266	CF-	carbon monofluoride anion	1Σ	C∞v
267	CF+	carbon monofluoride cation	1Σ	C∞v
268	SiF	silicon monofluoride	2Π	C∞v
269	SiF+	silicon monofluoride cation	1Σ	C∞v
270	SiCl	Clorosilylidyne	2Π	C∞v
271	NF	nitrogen fluoride	3Σ	C∞v
272	NF	nitrogen fluoride	1Σ	C∞v
273	NF-	nitrogen monofluorine anion	2Π	C∞v
274	NF+	nitrogen monofluoirde cation	2Π	C∞v
275	NCl	nitrogen monochloride	3Σ	C∞v
276	PF	phosphorus monofluoride	3Σ	C∞v
277	FO	Oxygen monofluoride	2Π	C∞v
278	FO-	flourine oxide anion	1Σ	C∞v
279	FO+	fluorine monoxide cation	3Σ	C∞v
280	ClO	Monochlorine monoxide	2Π	C∞v
281	SF	Monosulfur monofluoride	2Π	C∞v
282	SF+	sulfur monofluoride cation	3Σ	C∞v
283	SCl	sulfur monochloride	2Π	C∞v
284	SCl+	sulfur monochloride cation	3Σg	C∞v
285	SBr	Sulfur monobromide radical
286	F2	Fluorine diatomic	1Σg	D∞h
287	F2-	flourine diatomic anion	2Σu	D∞h
288	F2+	flourine diatomic cation	2Πg	D∞h
289	ClF	Chlorine monofluoride	1Σ+	C∞v
290	Cl2	Chlorine diatomic	1Σg	D∞h
291	Cl2-	chlorine diatomic anion	2Σu	D∞h
292	Cl2+	chlorine diatomic cation	2Πg	D∞h
293	HCF	Fluoromethylene	1A'	Cs
294	HOF	Hypofluorous acid	1A'	Cs
295	HOCl	hypochlorous acid	1A'	Cs
296	CH2Cl	chloromethyl radical	2A'	Cs
297	H2F2	Hydrogen fluoride dimer	1Ag	Cs
298	CH3F	Methyl fluoride	1A1	C3v
299	CH3Cl	Methyl chloride	1A1	C3v
300	SiH3Cl	chlorosilane	1A1	C1
301	C3	carbon trimer	1Σg	D∞h
302	C3H3	Propargyl radical	2B1	Cs
303	CH2CCH2	allene	1A1	D2d
304	CH3CCH	propyne	1A'	C3v
305	C3H6	Cyclopropane	1A1'	D3h
306	CH2CHCH3	Propene	1A'	Cs
307	C3H7	n-Propyl radical	2A"	C1
308	C3H8	Propane	1A1	C2v
309	Si3H8	trisilane
310	HN3	hydrogen azide	1A'	Cs
311	CH2NN	diazomethane	1A1	C2v
312	CH3CN	Acetonitrile	1A1	C3v
313	CH3NC	methyl isocyanide	1A1	C3v
314	NHCHNH2	aminomethanimine	1A	C1
315	C2H5N	Aziridine	1A'	C1
316	CH3CH2NH2	Ethylamine	1A'	Cs
317	CH3NHCH3	Dimethylamine	1A'	Cs
318	Li2O	dilithium oxide	1Σg	D∞h
319	Li2S	dilithium sulfide	1ΣG	D∞h
320	Li2S	dilithium sulfide	1A1	C2v
321	BO2	Boron dioxide	2A'	D∞h
322	N2O	Nitrous oxide	1Σ	C∞v
323	NNS	Nitrogen sulfide	1Σ	C∞v
324	CO2	Carbon dioxide	1Σg	D∞h
325	OCS	Carbonyl sulfide	1Σ	C∞v
326	CS2	Carbon disulfide	1Σg	D∞h
327	SiS2	Silicon disulfide	1ΣG	D∞h
328	NO2	Nitrogen dioxide	2A1	C2v
329	NSO	sulfinyl amidogen
330	O3	Ozone	1A1	Cs
331	SO2	Sulfur dioxide	1A1	C2v
332	S3	Sulfur trimer	1A1	C2v
333	S3	Sulfur trimer
334	S3+	Sulfur trimer cation	2B2	C2v
335	HCCO	ketenyl radical	2A"	Cs
336	HCNO	fulminic acid	1Σ	C∞v
337	HNCO	Isocyanic acid	1A'	Cs
338	HOCN	cyanic acid	1A'	Cs
339	HCO2-	formate anion	1A1	C2v
340	HOCO	Hydrocarboxyl radical	1A'	cis
341	HOCO	Hydrocarboxyl radical	1A'	trans
342	HNO2	Nitrous acid	1A'	Cs
343	CH2CO	Ketene	1A1	C2v
344	HCCOH	ethynol	1A'	Cs
345	CH2CS	Thioketene
346	CH2O2	Dioxirane	1A1	C2v
347	HCOOH	Formic acid	1A'	Cs
348	HSSSH	trisulfane	1A	C2
349	HSSSH	trisulfane	1A'	Cs
350	CH3CO	Acetyl radical	2A'	Cs
351	CHONH2	formamide	1A'	Planar
352	CH3OO	methylperoxy radical	2A"	Cs
353	C2H4O	Ethylene oxide	1A1	C2v
354	CH2CHOH	ethenol	1A'	Cs
355	CH3CHO	Acetaldehyde	1A'	Cs
356	C2H4S	Thiirane	1A1	C2v
357	CH3CHS	Thioacetaldehyde	1A'	C1
358	CH3SSH	Hydrogen methyl disulfide
359	CH3CH2OH	Ethanol	1A'	Cs
360	CH3OCH3	Dimethyl ether	1A1	C2v
361	CH3CH2SH	ethanethiol	1A'	Cs
362	FCN	Cyanogen fluoride	1Σ	C∞v
363	ClCN	chlorocyanogen	1Σ	C∞v
364	FNO	Nitrosyl fluoride	1A'	Cs
365	FNS	Thionitrosyl fluoride	1A'	Cs
366	FSN	Thiazyl fluoride	1A'	Cs
367	OPCl	Phosphorus oxychloride
368	CF2	Difluoromethylene	1A1	D∞h
369	GeCl2	Germanium dichloride	1A1	C2v
370	FOO	Dioxygen monofluoride radical	2A"	Cs
371	OClO	Chlorine dioxide	2B1	D∞h
372	ClSO	Sulfur chloride oxide	2A"	Cs
373	NF2	Difluoroamino radical	2B1	C2v
374	FClO	chlorosyl fluoride	1A'	Cs
375	F2O	Difluorine monoxide	1A1	C2v
376	ClOF	Chlorine hypofluorite	1A'	Cs
377	SF2	sulfur difluoride	1A1	C2v
378	SCl2	Sulfur dichloride	1A1	C2v
379	SeCl2	Selenium Dichloride
380	SBr2	Sulfur dibromide
381	SeBr2	Selenium dibromide
382	HCCF	Fluoroacetylene	1Σ	C∞v
383	HFCO	formyl fluoride	1A'	Cs
384	BHF2	Difluoroborane	1A1	C2v
385	CH2F2	Methane, difluoro-	1A1	C2v
386	CH2Cl2	Methylene chloride	1A1	C2v
387	SiH2Cl2	dichlorosilane	1A1	C2v
388	CH2CHF	Ethene, fluoro-	1A'	Cs
389	C2H5F	fluoroethane	1A'	Cs
390	C4	Carbon tetramer	3Σg	D∞h
391	C4H2	Diacetylene	1Σg	D∞h
392	C2H3CCH	1-Buten-3-yne	1A'	C1
393	H2CCCCH2	Butatriene	1Ag	D2h
394	C4H6	1-Methylcyclopropene	1A	C1
395	C4H6	Cyclobutene	1A1	C2v
396	C4H6	Methylenecyclopropane	1A1	C2v
397	CH2CCHCH3	1,2-Butadiene	1A'	C1
398	CH2CHCHCH2	1,3-Butadiene	1Ag	C2h
399	CH3CCCH3	2-Butyne	1A1'	D3h
400	CH2C(CH3)CH3	1-Propene, 2-methyl-	1A1	C2v
401	CH3CHCHCH3	2-Butene, (E)-	1Ag	C2h
402	CH3CHCHCH3	2-Butene, (Z)-	1A1	C2v
403	C(CH3)3	Tert-butyl radical	2A"	C3v
404	CH2CH(CH3)2	Isobutyl radical	2A'	C1
405	CH3CHCH2CH3	2-Butyl radical	1A	C1
406	CH3CH(CH3)CH3	Isobutane	1A1	C3v
407	CH3CH2CH2CH3	Butane	1Ag	Anti
408	C2N2	Cyanogen	1Σg	D∞h
409	HCCCN	Cyanoacetylene	1Σ	C∞v
410	C3H3N	acrylonitrile	1A'	Cs
411	C3H7N	Cyclopropylamine	1A'	C1
412	C4H8	cyclobutane	1A1	D2d
413	C2H8N2	Ethylenediamine	1Ag	C2h
414	CH3CH(NH2)CH3	2-Propanamine	1A'	Cs
415	N(CH3)3	Trimethylamine	1A1	C3v
416	B2O2	Diboron dioxide	1Σg	D∞h
417	S2N2	Disulfur dinitride	1AG	D2h
418	CO3--	carbonate	1A1'	D3h
419	CS3--	Carbonotrithioate
420	NO3	Nitrogen trioxide	2A1'	all bonds equal
421	SO3	Sulfur trioxide	1A1'	D3h
422	S4	Sulfur tetramer
423	S4	Sulfur tetramer
424	S4	Sulfur tetramer
425	HNO3	Nitric acid	1A'	Cs
426	C2H2O2	Ethanedial	1Ag	C2h
427	CH3COO-	acetate anion	1A'	eclipsed
428	CH3NO2	Methane, nitro-	1A'	Cs
429	CH3ONO	Methyl nitrite	1A'	C1
430	H3AlO3	Aluminum hydroxide
431	C3H4O	allenol	1A'	Cs
432	C3H4O	Cyclopropanone	1A1	C2v
433	CH2CHCHO	Acrolein	1A'	Cs
434	NH2CONH2	Urea	1A	C2
435	CH3COOH	Acetic acid	1A'	Cs
436	CH3OCHO	methyl formate	1A'	Cs
437	CHOCH2OH	hydroxy acetaldehyde	1A'	CS H in
438	CH3CHNOH	Acetaldoxime	1A'	CS trans
439	CH3CONH2	Acetamide	1A'	C1
440	CH3CSNH2	Ethanethioamide
441	C3H6O	Propylene oxide	1A	C1
442	CH3CH2CHO	Propanal	1A'	Cs
443	CH3COCH3	Acetone	1A1	C2v
444	C2H6O2	1,2-Ethanediol	1Ag	C2h
445	C3H7OH	1-Propanol	1A'	Cs
446	CH3CHOHCH3	Isopropyl alcohol	1A	C1
447	CH3OC2H5	Ethane, methoxy-	1A'	Cs
448	C2F2	difluoroacetylene	1Σg	D∞h
449	N2F2	(Z)-Difluorodiazene	1A1	C2v
450	N2F2	Dinitrogen difluoride, (E)-	1Ag	C2h
451	CF2O	Carbonic difluoride	1A1	C2v
452	Cl2CS	Thiophosgene	1A1	C2v
453	BF3	Borane, trifluoro-	1A'	D3h
454	AlF3	Aluminum trifluoride	1A1'	D3h
455	CF3	Trifluoromethyl radical	2A1	C3v
456	ClO2F	Chloryl fluoride	1A'	Cs
457	F2SO	Thionyl Fluoride	1A'	Cs
458	FSSF	Difluorodisulfane	1A	C2
459	S2F2	Thio-thionyl fluoride	1A'	Cs
460	SSCl2	Thiothionyl chloride
461	NF3	Nitrogen trifluoride	1A1	C3v
462	SF3	Sulfur trifluoride	2A'	Cs
463	ClF3	Chlorine trifluoride	1A1'	D3h
464	ClF3	Chlorine trifluoride	1A1	C2v
465	HClO3	Chloric Acid	1A	C1
466	CHF3	Methane, trifluoro-	1A1	C3v
467	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	1A1	C2v
468	CH2CF2	Ethene, 1,1-difluoro-	1A1	C2v
469	CH3COF	Acetyl fluoride	1A'	NULL
470	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
471	C5H5-	cylopentadienyl anion	1A1'	D5h
472	C5H6	1,3-Cyclopentadiene	1A1	C2v
473	C5H6	1-Buten-3-yne, 2-methyl-	1A'	Cs
474	C5H6	3-Penten-1-yne, (E)-	1A'	Cs
475	C5H6	3-Penten-1-yne, (Z)-	1A'	Cs
476	C5H6	Bicyclo[2.1.0]pent-2-ene	1A'	Cs
477	C5H6	Cyclopropylacetylene	1A'	C1
478	C5H8	1,2-Butadiene, 3-methyl-	1A1	C2v
479	C5H8	1,2-Pentadiene	1A'	C1
480	C5H8	1,3-Butadiene, 2-methyl-	1A'	Cs
481	C5H8	1,3-Pentadiene, (E)-	1A'	C1
482	C5H8	1,3-Pentadiene, (Z)-	1A'	Cs
483	C5H8	1,4-Pentadiene	1A	C2
484	C5H8	2,3-Pentadiene	1A	C1
485	C5H8	Cyclobutane, methylene-	1A'	Cs
486	C5H8	Cyclopentene	1A'	Cs
487	C5H10	1-Butene, 2-methyl-	1A	C1
488	C5H10	2-Butene, 2-methyl-	1A'	Cs
489	C5H10	2-Pentene, (E)-	1A'	Cs
490	C5H10	2-Pentene, (Z)-	1A	C1
491	C5H10	Cyclopropane, 1,1-dimethyl-	1A1	C1
492	CH2CHCH2CH2CH3	1-pentene	1A	C1
493	C5H11	2-Methylbut-2-yl radical	1A	C1
494	C5H12	Butane, 2-methyl-	1A	C1
495	C5H12	Pentane	1A1	C2v
496	C5H12	Propane, 2,2-dimethyl-	1A1	Td
497	N2O3	Dinitrogen trioxide	1A'	Cs
498	C3H2N2	Malononitrile	1A1	Cs
499	C3H4N2	1H-Imidazole	1A'	Cs
500	C3H4N2	1H-Pyrazole	1A'	Cs
501	C4H5N	(E)-2-Butenenitrile	1A'	Cs
502	C4H5N	(Z)-2-Butenenitrile	1A'	Cs
503	C4H5N	Cyclopropanecarbonitrile	1A'	Cs
504	C4H5N	Pyrrole	1A1	C2v
505	C3H6N2	3-Aminopropionitrile	1A'	Cs
506	C5H8	Bicyclo[2.1.0]pentane	1A'	Cs
507	C5H8	Spiropentane	1A1	D2d
508	C4H9N	Cyclobutylamine	1A'	Cs
509	C4H9N	Pyrrolidine	1A'	Cs
510	C3H10N2	1,2-Diaminopropane	1A	C1
511	C(CH3)3NH2	2-Propanamine, 2-methyl-	1A	C1
512	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	1A	C1
513	C(NH2)H2CH2CH2CH3	1-Butanamine	1A'	Cs
514	CH3C(NH2)HCH2CH3	2-Butanamine	1A	C1
515	C3O2	Carbon suboxide	1ΣG	D∞h
516	C3H3NO	Isoxazole	1A'	Cs
517	CH3NO3	Methyl nitrate	1A'	Cs
518	C4H4O	Furan	1A1	C2
519	C3H4O2	β–Propiolactone	1A'	Cs
520	C3H4O2	2-Propenoic acid	1A'	Cs
521	C3H4O2	propanedial	1A	C1
522	C3H4O2	propenalol	1A'	Cs
523	CH2CHCONH2	Acrylamide	1A	Cs
524	CH3OCH2CN	Methoxyacetonitrile	1A'	Cs
525	H2NCH2COOH	Glycine	1A'	Cs
526	C4H6O	cis-2-butenal	1A	Cs
527	C4H6O	Cyclobutanone	1A1	C2v
528	C4H6O	Furan, 2,3-dihydro-	1A	C1
529	C4H6O	Furan, 2,5-dihydro-	1A1	Cs
530	CH2CHOCHCH2	Vinyl ether	1A1	C2v
531	CHOCHCHCH3	2-Butenal	1A'	Cs
532	C2H6N2O	Urea, methyl-	1A	C1
533	C3H6O2	1,3-Dioxolane	1A	C1
534	CH3COOCH3	methyl acetate	1A'	Cs
535	C2H6O2S	Dimethyl sulfone	1A1	C2v
536	C3H7NO	Propanamide	1A'	C1
537	C2H3OC2H5	Ethene, ethoxy-	1A	C1
538	C4H8O	Cyclobutanol	1A'	C1
539	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	1A	C1
540	CH3COCH2CH3	2-Butanone	1A	C1
541	CHOCH(CH3)CH3	Propanal, 2-methyl-	1A'	Cs
542	CHOCH2CH2CH3	Butanal	1A'	Cs
543	C3H8O2	1,3-Propanediol	1A1	C1
544	C3H8O2	Hydroperoxide, 1-methylethyl	1A	C1
545	C3H8O2	Methane, dimethoxy-	1A	C2
546	C3H8O2	Propylene glycol	1A	C1
547	C4H10O	1-Propanol, 2-methyl-	1A	C1
548	C4H10O	2-Butanol, (.+/-.)-	1A	C1
549	C4H10O	Ethanol, 1,1-dimethyl-	1A	C1
550	C4H10O	Ethoxy ethane	1A1	C2v
551	C4H10O	Propane, 2-methoxy-	1A'	Cs
552	FNO3	Fluorine nitrate	1A'	Cs
553	BF4-	tetrafluoroboron anion	1A1	Td
554	F3NO	Nitrogen trifluoride oxide	1A1	C3v
555	CF4	Carbon tetrafluoride	1A1	Td
556	CF2Cl2	difluorodichloromethane	1A1	C2v
557	SF4	Sulfur tetrafluoride	1A1	C2v
558	C2HF3	Trifluoroethylene	1A'	Cs
559	HClO4	perchloric acid	1A	Cs
560	CH3CF3	Ethane, 1,1,1-trifluoro-	1A1	C3v
561	SiH3CCl3	(trichloromethyl)silane	1A1	C3v
562	C6H4	(E)-Hexa-1,5-diyne-3-ene	1Ag	Cs
563	C6H4	(Z)-Hexa-1,5-diyne-3-ene	1A1	C2v
564	C6H5	phenyl	2A1	C2v
565	C6H6	2,4-Hexadiyne	1A1'	D3h
566	C6H6	Benzene	1A1g	D6h
567	C6H8	(E)-hexa-1,3,5-triene	1Ag	Cs
568	C6H8	(E)-hexa-2,3,4-triene	1A'	C2h
569	C6H8	(Z)-hexa-1,3,5-triene	1A1	C2v
570	C6H8	(Z)-hexa-2,3,4-triene	1A1	C2v
571	C6H8	1,4-Cyclohexadiene	1Ag	C2v
572	C6H8	3-Methylenecyclopentene	1A	C1
573	C6H8	Bicyclo[2.1.1]hex-2-ene	1A1	C2v
574	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	1Ag	D2h
575	C6H8	Bicyclo[3.1.0]hex-2-ene	1A	C1
576	C6H10	1,3-Hexadiene, (E)-	1A'	Cs
577	C6H10	1,3-Hexadiene, (Z)-	1A'	Cs
578	C6H10	1,4-Hexadiene, (E)-	1A	C1
579	C6H10	1,4-Hexadiene, (Z)-	1A	C1
580	C6H10	1-Butyne, 3,3-dimethyl-	1A1	C3v
581	C6H10	1-Hexyne	1A'	Cs
582	C6H10	2,4-Hexadiene, (E,E)-	1Ag	C2h
583	C6H10	2,4-Hexadiene, (E,Z)-	1A'	Cs
584	C6H10	2,4-Hexadiene, (Z,Z)-	1A'	Cs
585	C6H10	2-Hexyne	1A'	C1
586	C6H10	3-Hexyne	1A1	C2v
587	C6H10	Cyclopentene, 1-methyl-	1A	C1
588	C6H10	Cyclopentene, 3-methyl-	1A	C1
589	C6H10	Cyclopentene, 4-methyl-	1A	C1
590	C6H12	(E)-3-methylpent-2-ene	1A	C1
591	C6H12	(Z)-3-methylpent-2-ene	1A	C1
592	C6H12	3-methylenepentane	1A	C1
593	C6H12	Cyclohexane	1A1g	Chair
594	C6H12	Cyclopentane, methyl-	1A	C1
595	C6H12	Ethylcyclobutane	1A	C1
596	C6H12	hex-1-ene	1A'	Cs
597	C6H14	Butane, 2,2-dimethyl-	1A'	C1
598	C6H14	Butane, 2,3-dimethyl-	1Ag	C2h
599	C6H14	Hexane	1Ag	C2h
600	C6H14	Pentane, 2-methyl-	1A	C1
601	C6H14	Pentane, 3-methyl-	1A'	Cs
602	C4N2	2-Butynedinitrile	1Σg	D∞h
603	CH3N5	5-Aminotetrazole	1A	C1
604	C4H4N2	1,3-Diazine	1A1	C2v
605	C4H4N2	Pyrazine	1Ag	D2h
606	C4H4N2	Pyridazine	1A1	C2v
607	C4H4N2	Succinonitrile	1Ag	C2h
608	C2H4N4	1H-Tetrazole, 1-methyl-	1A'	Cs
609	C2H4N4	1H-Tetrazole, 5-methyl-	1A'	C1
610	C2H4N4	2H-Tetrazole, 2-methyl-	1A	C1
611	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	1A'	Cs
612	C5H5N	Pyridine	1A1	C2v
613	C6H6	Fulvene	1A1	C2v
614	C4H6N2	1H-Imidazole, 2-methyl-	1A'	Cs
615	C5H7N	(E)-2-Pentenenitrile	1A'	Cs
616	C5H7N	(E)-3-Pentenenitrile	1A	C1
617	C5H7N	(Z)-2-Pentenenitrile	1A	C1
618	C5H7N	1H-Pyrrole, 1-methyl-	1A	C1
619	C5H7N	Cyclobutanecarbonitrile	1A'	Cs
620	C5H9N	1,2,3,6-Tetrahydropyridine	1A	C1
621	C5H9N	Butanenitrile, 2-methyl-	1A	C1
622	C5H9N	Pentanenitrile	1A'	Cs
623	C5H9N	Propanenitrile, 2,2-dimethyl-	1A1	C1
624	C5H11N	Cyclopentanamine	1A'	Cs
625	C5H11N	Piperidine	1A'	NH equatorial
626	C5H11N	Piperidine	1A'	NH axial
627	C4H12N2	1,2-Butanediamine	1A	C1
628	C4H12N2	2-Methyl-1,2-propanediamine	1A'	C1
629	N2O4	Dinitrogen tetroxide	1Ag	D2d
630	C2H3NO3	Oxamic acid	1A'	H out
631	C4H4O2	2-Oxetanone, 4-methylene-	1A	C1
632	C2H4N2O2	Oxalamide	1Ag	C2h
633	C4H5NO	3-Methylisoxazole	1A	C1
634	C4H5NO	Isoxazole, 5-methyl-	1A	C1
635	C4H6O2	2-Propenoic acid, methyl ester	1A	C1
636	C2H6N2O2	(E)-Azodioxymethane	1Ag	C2h
637	C2H6N2O2	Dimethylnitroamine	1A	C1
638	C3H6O3	1,3,5-Trioxane	1A1	C1
639	C4H7NO	2-Pyrrolidinone	1A	C1
640	C4H7NO	Methacrylamide	1A	C1
641	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	1A'	C1
642	CH3CH(CH3)ONO	Isopropyl nitrite	1A	C1
643	CH3CH(NH2)COOH	Alanine	1A	C1
644	CH3NHCH2COOH	Sarcosine	1A	C1
645	NH2CH2CH2COOH	β–alanine	1A	C1
646	NH2COOC2H5	Urethane	1A	C1
647	C5H8O	2H-Pyran, 3,4-dihydro-	1A	C1
648	C5H8O	Furan, 2,3-dihydro-5-methyl-	1A	C1
649	N(CH3)2CONH2	Urea, N,N-dimethyl-	1A	C1
650	NH2CONHC2H5	Urea, ethyl-	1A	C1
651	C4H8O2	1,3-Dioxolane, 2-methyl-	1A	C1
652	C4H8O2	1,4-Dioxane	1Ag	C2h
653	C4H8O2	Ethene, 1,1-dimethoxy-	1A1	C2v
654	C3H8O3	1,2,3-Propanetriol	1A	C1
655	C4H9NO	Butanamide	1A	C1
656	C4H9NO	Propanamide, 2-methyl-	1A	C1
657	C5H10O	2-Butanone, 3-methyl-	1A	C1
658	C5H10O	2H-Pyran, tetrahydro-	1A'	C1
659	C5H10O	3-Pentanone	1A1	C2v
660	C5H10O	Cyclopentanol	1A	C1
661	C5H10O	Oxetane, 3,3-dimethyl-	1A'	Cs
662	C5H10O	Pentanal	1A'	C1
663	C4H10O2	1,1-Dimethoxyethane	1A'	Cs
664	C4H10O2	1,3-Butanediol	1A	C1
665	C4H10O2	1,4-Butanediol	1Ag	C2h
666	C4H10O2	Ethane, 1,2-dimethoxy-	1Ag	C2h
667	C4H11NO	Diethylhydroxylamine	1A'	Cs
668	C5H12O	1-Butanol, 2-methyl-	1A	C1
669	C5H12O	1-Butanol, 3-methyl-	1A'	Cs
670	C5H12O	1-Pentanol	1A'	Cs
671	C5H12O	2-Butanol, 3-methyl-	1A	C1
672	C5H12O	2-Pentanol	1A	C1
673	C5H12O	3-Pentanol	1A	C1
674	C5H12O	Butane, 1-methoxy-	1A'	Cs
675	C5H12O	Propane, 1-ethoxy-	1A'	Cs
676	C5H12O	Propane, 2-methoxy-2-methyl-	1A'	C1
677	CF3CN	Acetonitrile, trifluoro-	1A1	C3v
678	B2F4	Diboron tetrafluoride	1A1	D2d
679	C2F4	Tetrafluoroethylene	1Ag	D2h
680	CF3OF	Trifluoromethylhypofluorite	1A'	Cs
681	SiF5-	silicon pentafluoride anion
682	SOF4	Sulfur tetrafluoride oxide	1A1	C2v
683	PF5	Phosphorus pentafluoride	1A1'	D3h
684	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
685	C6H5CH2	benzyl radical	2B1	Cs
686	C6H5CH3	toluene	1A'	Cs
687	C7H12	Norbornane	1A1	C2v
688	C7H16	2-methylhexane	1A	C1
689	C7H16	heptane	1A1	C2v
690	C6H5NH2	aniline	1A'	Cs
691	C6H5OH	phenol	1A'	Cs
692	C6H10O	cyclohexanone	1A'	Cs
693	PF6-	Hexafluorophosphate ion	1A1G	Oh
694	SF5Cl	sulfur chloropentafluoride	1A1	C4v
695	C6H5CCH	phenylacetylene	1A1	C2v
696	C6H5CHCH2	Styrene	1A'	Cs
697	C8H8	cubane	1A1G	Oh
698	C8H8	cyclooctatetraene	1A1	D2d
699	C6H5CH2CH3	Ethylbenzene	1A'	Cs
700	C6H5CN	phenyl cyanide	1A1	C2v
701	C6H5CHO	benzaldehyde	1A'	Cs
702	C6H5OCH3	Anisole	1A'	Cs
703	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	1AG	D2h
704	C2F6	hexafluoroethane	1A1g	D3d
705	C6H5NO2	Nitrobenzene	1A1	C2v
706	C6H5COOH	benzoic acid	1A'	Cs
707	C10H8	naphthalene	1Ag	D2h
708	C10H16	adamantane	1A1	Td
709	C12H10	biphenyl	1A	D2

Species NOT done yet

count	Species	Name	file name	problem
1	D-	Deuterium atom anion	d-
2	D+	Deuterium atom cation	d+
3	H-	Hydrogen atom anion	h-
4	He-	Helium atom anion	he-
5	He+	Helium atom cation	he+
6	HeH	Helium hydride	heh
7	HeH+	Helium hydride cation	heh+
8	Li-	Lithium atom anion	li-
9	Li+	Lithium atom cation	li+
10	Na-	Sodium atom anion	na-
11	K	Potassium atom	k
12	K-	Potassium atom anion	k-
13	K+	Potassium atom cation	k+
14	Cu	Copper atom	cu
15	Cu-	Copper atom anion	cu-
16	Cu+	Copper atom cation	cu+
17	KH	Potassium hydride	kh
18	KH+	Potassium hydrogen cation	kh+
19	CuH	Copper monohydride	cuh
20	Be-	Beryllium atom anion	be-
21	Be+	Beryllium atom cation	be+
22	Mg-	Magnesium atom anion	mg-
23	Mg+	Magnesium atom cation	mg+
24	Ca	Calcium atom	ca
25	Ca-	Calcium atom anion	ca-
26	Ca+	Calcium atom cation	ca+
27	Zn	Zinc atom	zn
28	Zn-	Zinc atom anion	zn-
29	Zn+	Zinc atom cation	zn+
30	CaH	Calcium monohydride	cah
31	CaH+	Calcium monohydride cation	cah+
32	TiH	Titanium monohydride	tih
33	ZnH	Zinc monohydride	znh
34	ZnH+	Zinc, protonated	znh+
35	BeH2+	Beryllium dihydride cation	beh2+
36	CaH2	Calcium Hydride	cah2
37	ZnH2	Zinc hydride	znh2
38	B-	Boron atom anion	b-
39	B+	Boron atom cation	b+
40	Al	Aluminum atom	al
41	Al-	Aluminum atom anion	al-
42	Al+	Aluminum atom cation	al+
43	Sc	Scandium atom	sc
44	Sc+	Scandium cation	sc+
45	Ga	Gallium atom	ga
46	Ga-	Gallium atom anion	ga-
47	Ga+	Gallium atom cation	ga+
48	AlH-	aluminum monohydride anion	alh-
49	AlH+	aluminum monohydride cation	alh+
50	ScH	Scandium monohydride	sch
51	ScH+	Scandium monohydride cation	sch+
52	GaH	Gallium monohydride	gah
53	GaH+	Gallium monohydride cation	gah+
54	BH2-	boron dihydride anion	bh2-
55	BH2+	Boron dihydride cation	bh2+
56	AlH2	aluminum dihydride	alh2
57	AlH2-	aluminum dihydride anion	alh2-
58	AlH2+	aluminum dihydride cation	alh2+
59	BH3-	boron trihydride anion	bh3-
60	BH3+	boron trihydride cation	bh3+
61	AlH3	aluminum trihydride	alh3
62	AlH3-	aluminum trihydride anion	alh3-
63	AlH3+	aluminum trihydride cation	alh3+
64	ScH3	Scandium trihydride	sch3
65	GaH3	Gallium trihydride	gah3
66	BH4	borohydride	bh4
67	AlH4-	Aluminum tetrahydride anion	alh4-
68	C-	Carbon atom anion	c-
69	C+	Carbon atom cation	c+
70	Si-	Silicon atom anion	si-
71	Si+	Silicon atom cation	si+
72	Ti	Titanium atom	ti
73	Ti-	Titanium atom anion	ti-
74	Ti+	Titanium atom cation	ti+
75	Ge	Germanium atom	ge
76	Ge-	Germanium anion	ge-
77	Ge+	Germanium cation	ge+
78	Sn	Tin atom	sn
79	Sn+	Tin cation	sn+
80	SiH-	silicon monohydride anion	sih-
81	SiH+	silicon monohydride cation	sih+
82	GeH	germylidene	geh
83	GeH+	Germaniun monohyrdide cation	geh+
84	SiH2-	silicon dihydride anion	sih2-
85	SiH2+	silicon dihydride cation	sih2+
86	GeH2	germylene	geh2
87	GeH2-	germylene anion	geh2-
88	SiH3-	Silyl anion	sih3-
89	SiH3+	Silyl cation	sih3+
90	GeH3	Germyl radical	geh3
91	GeH3+	germyl cation	geh3+
92	CD4	methane-d4	cd4
93	CH2D2	methane-d2	ch2d2
94	CH3D	methane-d	ch3d
95	CH4-	Methane anion	ch4-
96	CH4+	Methane cation	ch4+
97	CHD3	methane-d3	chd3
98	SiH2D2	silane-d2	sih2d2
99	SiH4+	Silane cation	sih4+
100	GeH4	Germane	geh4
101	SnH4	Stannane	snh4
102	SiH5+	Silane, protonated	sih5+
103	N	Nitrogen atom	n
104	N-	Nitrogen atom anion	n-
105	N+	Nitrogen atom cation	n+
106	P-	Phosphorus atom anion	p-
107	P+	Phosphorus atom cation	p+
108	V	Vanadium atom	v
109	V+	Vanadium atom cation	v+
110	As	Arsenic atomic	as
111	As-	Arsenic anion	as-
112	As+	Arsenic cation	as+
113	Sb	Antimony atom	sb
114	PH-	phosphorus monohydride anion	ph-
115	PH+	phosphorus monohydride cation	ph+
116	AsH	Arsenic monohydride	ash
117	AsH+	Arsenic monohydride cation	ash+
118	SbH	Antimony monohydride	sbh
119	NH2+	Amino cation	nh2+
120	PH2	Phosphino radical	ph2
121	PH2-	Phosphino anion	ph2-
122	PH2+	Phosphino cation	ph2+
123	AsH2	Arsenic dihydride	ash2
124	AsH2+	Arsenic dihydride cation	ash2+
125	NH3-	Ammonia anion	nh3-
126	PH3+	Phosphine cation	ph3+
127	AsH3	Arsine	ash3
128	AsH3+	Arsine cation	ash3+
129	SbH3	Stibine	sbh3
130	AsH4+	Arsonium	ash4+
131	NH4	Ammonium radical	nh4
132	PH4	Phosphoranyl radical	ph4
133	O-	Oxygen atom anion	o-
134	O+	Oxygen atom cation	o+
135	S-	Sulfur atom anion	s-
136	S+	Sulfur atom cation	s+
137	Cr	Chromium atom	cr
138	Se	Selenium atom	se
139	Se-	Selenium atom anion	se-
140	Se+	Selenium atom cation	se+
141	Te	Tellurium atom	te
142	Te+	Tellurium atom cation	te+
143	DS	Mercapto-d	ds
144	HS-	mercapto anion	sh-
145	HS+	sulfur monohydride cation	sh+
146	CrH	Chromium hydride	crh
147	CrH+	Chromium hydride cation	crh+
148	HSe	Selenium monohydride	hse
149	HSe-	selenium monohydride anion	hse-
150	HSe+	selenium monohydride cation	hse+
151	TeH	Telluryl radical	teh
152	H2S-	Hydrogen sulfide anion	h2s-
153	H2Se	Hydrogen selenide	h2se
154	H2Se+	Hydrogen selenide cation	h2se+
155	H2Te	Hydrogen Telluride	h2te
156	H3Se+	Hydrogen Selenide, protonated	h3se+
157	F-	Fluorine atom anion	f-
158	F+	Fluorine atom cation	f+
159	Cl-	Chlorine atom anion	cl-
160	Cl+	Chlorine atom cation	cl+
161	Mn	Manganese atom	mn
162	Br	Bromine atom	br
163	Br-	Bromine atom anion	br-
164	Br+	Bromine atom cation	br+
165	I	Iodine atom	iodine
166	I-	Iodine atom anion	iodine-
167	I+	Iodine atom cation	iodine+
168	DCl	Hydrochloric acid-d	dcl
169	HCl-	hydrogen chloride anion	hcl-
170	HBr	hydrogen bromide	hbr
171	HBr-	hydrogen bromide anion	hbr-
172	HBr+	hydrogen bromide cation	hbr+
173	HI	Hydrogen iodide	hi
174	HI+	Hydrogen iodide cation	hi+
175	H2Br+	protonated hydrogen bromide	h2br+
176	H2I+	Iodonium	h2i+
177	Ne-	Neon atom anion	ne-
178	Ne+	Neon atom cation	ne+
179	Ar	Argon atom	ar
180	Ar-	Argon atom anion	ar-
181	Ar+	Argon atom cation	ar+
182	Fe	Iron atom	fe
183	Kr	Krypton atom	kr
184	Kr+	Krypton cation	kr+
185	Xe	Xenon atom	xe
186	HeLi+	Helium Lithium cation	heli+
187	NeH	neon hydrogen	neh
188	ArH+	Argon hydride cation	arh+
189	KrH+	Protonated Krypton	krh+
190	XeH+	Xenon, protonated	xeh+
191	H2Ar	H2 Ar dimer	h2ar
192	Co	Cobalt atom	cobalt
193	Ni	Nickel atom	ni
194	LiK	Lithium Potassium	lik
195	NaK	Sodium Potassium	nak
196	NaK+	Sodium Potassium diatomic cation	nak+
197	K2	Potassium diatomic	k2
198	Cu2	Copper diatomic	cu2
199	LiBe	Lithium Beryllium	libe
200	LiMg	Lithium magnesium	limg
201	NaBe	Sodium Beryllium	nabe
202	NaMg	Sodium Magnesium	namg
203	Be2	Beryllium diatomic	be2
204	BeMg	Beryllium Magnesium	bemg
205	Ca2	Calcium diatomic	ca2
206	LiB	Lithium boride	lib
207	LiAl	Lithium Aluminum	lial
208	NaAl	Sodium aluminum	naal
209	BeB	Beryllium monoboride	beb
210	B2+	Boron diatomic cation	b2+
211	Al2	Aluminum diatomic	al2
212	Al2-	aluminum diatomic anion	al2-
213	Al2+	aluminum diatomic cation	al2+
214	BGa	Boron Gallium	bga
215	AlGa	Aluminum Gallium	alga
216	Ga2	Gallium diatomic	ga2
217	HBBH	Diborane(2)	hbbh
218	LiBH4	Lithium borohydride	libh4
219	B2H4	Diborane(4) D2d	b2h4
220	HBHHBH	Diborane(4) C2V	hbhhbh
221	B2H6+	Diborane cation	b2h6
222	Al2H6	dialane	al2h6
223	Ga2H6	digallane	ga2h6
224	LiC	Lithium Carbide	lic
225	BeC	Beryllium Carbide	bec
226	CaC	Calcium monocarbide	cac
227	BC	boron monocarbide	bc
228	BSi	Boron silicide	bsi
229	C2+	carbon diatomic cation	c2+
230	SiC-	silicon monocarbide anion	sic-
231	SiC+	silicon monocarbide cation	sic+
232	Si2-	silcon diatomic anion	si2-
233	Si2+	silcon diatomic cation	si2+
234	GeC	Germanium monocarbide	gec
235	SiGe	Silicon Germanium	sige
236	Ge2	Germanium diatomic	ge2
237	C2H-	Ethynyl anion	c2h-
238	C2H+	Ethynyl cation	c2h+
239	ZnCH2	Zinc methylene	znch2
240	H2CC-	vinylidene anion	h2cc-
241	HCCH-	acetylene anion	c2h2-
242	Si2H2	disilyne	si2h2
243	CH3Li	methyl lithium	ch3li
244	CuCH3	monomethyl copper	cuch3
245	ZnCH3	Zinc monomethyl	znch3
246	CH2BH	methyleneborane	ch2bh
247	C2H3-	vinyl anion	c2h3-
248	C2H3+	vinyl cation	c2h3+
249	C2H4-	Ethylene anion	c2h4-
250	C2H4+	Ethylene cation	c2h4+
251	CH3CH	methylmethylene	ch3ch
252	CH2SiH2	silaethylene	ch2sih2
253	Si2H4	Disilene	si2h4
254	CH3BH2	methylborane	ch3bh2
255	C2H5-	Ethyl anion	c2h5-
256	C2H5+	Ethyl cation	c2h5+
257	C2H6+	ethane cation	c2h6+
258	CH3SiH3	methyl silane	ch3sih3
259	GeH3CH3	methyl germane	geh3ch3
260	C2H7+	Ethane, protonated	c2h7+
261	LiN	Lithium Nitride	lin
262	LiN+	Lithium Nitride cation	lin+
263	LiP	Lithium monophosphide	lip
264	BeN	Beryllium mononitride	ben
265	BeN+	Beryllium mononitride cation	ben+
266	MgN	Magnesium Nitride	mgn
267	AlN-	aluminum mononitride anion	aln-
268	AlN+	aluminum mononitride cation	aln+
269	BP	Boron monophosphide	bp
270	AlP	Aluminum monophosphide	alp
271	GaN	Gallium mononitride	gan
272	GaP	Gallium monophosphide	gap
273	GaAs	Gallium arsenide	gaas
274	CP-	carbon monophosphide anion	cp-
275	CP+	carbon monophosphide cation	cp+
276	SiN-	silicon mononitride anion	sin-
277	SiN+	silicon mononitride cation	sin+
278	SiP-	Silicon monophosphide anion	sip-
279	SiP+	Silicon monophosphide cation	sip+
280	TiN	Titanium mononitride	tin
281	PN-	phosphorus nitride anion	pn-
282	PN+	phosphorus nitride cation	pn+
283	P2-	phosphorus diatomic anion	p2-
284	P2+	phosphorus diatomic cation	p2+
285	AsN	Arsenic mononitride	asn
286	AsP	Arsenic monophosphide	asp
287	SbN	Antimony nitride	sbn
288	As2	Arsenic diatomic	as2
289	HNB	hydrogen nitrogen boron	hnb
290	HCN-	Hydrogen cyanide anion	hcn-
291	HNC+	hydrogen isocyanide cation	hnc+
292	HCP	Phosphaethyne	hcp
293	HCP+	Phosphaethyne cation	hcp+
294	NNH+	Dinitrogen monohydride cation	nnh+
295	HPO	Hydrogen phosphorus oxide	hpo
296	HPO+	Hydrogen phosphorus oxide cation	hpo+
297	LiNH2	lithium amide	linh2
298	HBNH	Boranimine	hbnh
299	CNH2	Aminomethylidyne radical	cnh2
300	CNH2+	N-protonated hydrogen isocyanide	cnh2+
301	H2CN	Dihydrogen cyanide radical	h2cn
302	H2CN+	hydrocyanonium cation	h2cn+
303	HCNH	methyleneazane	hcnh
304	HCNH+	N-protonated HCN	hcnh+
305	H2NN	Isodiazene	h2nn
306	N2H2	(Z)-Diazene	n2h2z
307	N2H2+	trans-diazene cation	n2h2+
308	CH2NH+	Methanimine cation	ch2nh+
309	CHNH2	aminomethylene	chnh2
310	CHNH2+	Aminocarbene cation	chnh2+
311	BH2NH2	Boranamine	bh2nh2
312	N2H4+	hydrazine cation	n2h4+
313	P2H4	Diphosphine	p2h4
314	CH3NH2+	methyl amine cation	ch3nh2+
315	CH3PH2	Methyl phosphine	ch3ph2
316	SiH3NH2	Silane, amino	sih3nh2
317	N2H5+	protonated hydrazine	n2h5+
318	BH3NH3	borane ammonia	bh3nh3
319	CH3NH3	methyl ammonium radical	ch3nh3
320	CH3NH3+	protonated methylamine	ch3nh3+
321	CH3PH3+	methyl phosphine, protonated	ch3ph3+
322	NH3NH3	Ammonia Dimer	nh3nh3
323	N2H7+	ammonia ammonium dimer	n2h7+
324	LiS+	Lithium sulfide cation	lis+
325	KO	Potassium monoxide	ko
326	KO+	Potassium monoxide cation	ko+
327	NaS	Sodium sulfide	nas
328	CuO	Copper Monoxide	cuo
329	LiSe	Lithium monoselenide	lise
330	CaO	Calcium monoxide	cao
331	MgS-	magnesium sulfide anion	mgs-
332	MgS+	magnesium sulfide cation	mgs+
333	ZnO	zinc monoxide	zno
334	ZnS	Zinc sulfide	zns
335	BeS-	Beryllium monosulfide anion	bes-
336	BeS+	Beryllium monosulfide cation	bes+
337	AlO-	Aluminum monoxide anion	alo-
338	AlO+	aluminum monoxide cation	alo+
339	BS-	boron monosulfide anion	bs-
340	BS+	boron monosulfide cation	bs+
341	AlS-	aluminum monosulfide anion	als-
342	AlS+	aluminum monosulfide cation	als+
343	ScO	Scandium monoxide	sco
344	GaO	Gallium monoxide	gao
345	GaS	Gallium monosulfide	gas
346	CS-	carbon monosulfide anion	cs-
347	CS+	carbon monosulfide cation	cs+
348	SiO-	silicon monoxide anion	sio-
349	SiO+	silicon monoxide cation	sio+
350	SiS-	silicon monosulfide anion	sis-
351	SiS+	silicon monosulfide cation	sis+
352	TiO	Titanium monoxide	tio
353	CSe	Carbon monoselenide	cse
354	CSe-	Carbon monoselenide anion	cse-
355	CSe+	Carbon monoselenide cation	cse+
356	GeO+	Germanium monoxide cation	geo+
357	GeS	Germanium monosulfide	ges
358	SiSe+	Silicon Monoselenide cation	sise+
359	GeSe	Germanium monoselenide	gese
360	NS	Mononitrogen monosulfide	ns
361	NS-	nitrogen sulfide anion	ns-
362	NS+	nitrogen sulfide cation	ns+
363	PO-	phosphorus monoxide anion	po-
364	PO+	phosphorus monoxide cation	po+
365	PS-	phosphorus monosulfide anion	ps-
366	PS+	phosphorus monosulfide cation	ps+
367	VO	Vanadium monoxide	vo
368	AsO	Arsenic monoxide	aso
369	NSe	Nitrogen monoselenide	nse
370	AsS	Arsenic monosulfide	ass
371	PSe	Phosphorus monoselenide	pse
372	AsSe	Arsenic monoselenide	asse
373	O2--	dioxygen dianion	o2--
374	SO-	sulfur monoxide anion	so-
375	SO+	sulfur monoxide cation	so+
376	S2-	sulfur diatomic anion	s2-
377	SeO	Selenium monoxide	seo
378	SeO-	selenium monoxide anion	seo-
379	SeO+	selenium monoxide cation	seo+
380	SeS	Selenium monosulfide	ses
381	SeS-	selenium monosulfide anion	ses-
382	SeS+	selenium monosulfide cation	ses+
383	TeO	Tellurium monoxide	teo
384	Se2-	selenium diatomic anion	se2-
385	Se2+	selenium diatomic cation	se2+
386	Te2	Tellurium diatomic	te2
387	KOH	Potassium hydroxide	koh
388	CaOH	Calcium monohydroxide	caoh
389	HBS	hydrogen boron sulfide	hbs
390	COH	Hydroxymethylidyne	coh
391	COH+	Carbon Monoxide, protonated	coh+
392	HCO-	formyl anion	hco-
393	HCO+	Formyl cation	hco+
394	HCS	Thioformyl radical	hcs
395	HCS-	Thioformyl anion	hcs-
396	HCS+	Thioformyl cation	hcs+
397	HNO-	Nitrosyl hydride anion	hno-
398	HNO+	Nitrosyl hydride cation	hno+
399	NOH	Hydroxyimidogen	noh
400	NOH+	O-protonated nitric oxide	noh+
401	HNS	Sulfur imide	hns
402	HNS-	Sulfur imide anion	hns-
403	HO2-	Hydroperoxy anion	ho2-
404	HO2+	Hydroperoxy cation	ho2+
405	HS2	Thiosulfeno radical	hs2
406	H2CO-	formaldehyde anion	h2co-
407	HOCH	hydroxycarbene	hoch
408	H2CS-	thioformaldehyde anion	h2cs-
409	H2CS+	thioformaldehyde cation	h2cs+
410	H2NO	nitroxide	h2no
411	H2O2+	Hydrogen peroxide cation	h2o2+
412	H2OO	water oxide	h2oo
413	HOSH	hydrogen thioperoxide	hosh
414	H2Se2	hydrogen diselenide	h2se2
415	CH3O-	methoxy anion	ch3o-
416	CH3O+	Methoxy cation	ch3o+
417	CH3S	thiomethoxy	ch3s
418	NH2OH+	Hydroxylamine cation	nh2oh+
419	NH3O	Ammonia Oxide	nh3o
420	NH2SH	Thiohydroxylamine	nh2sh
421	NH3S	sulfidoazane	nh3s
422	H3O2+	hydrogen peroxide, protonated	h3o2+
423	CH3OH-	Methyl alcohol anion	ch3oh-
424	CH3OH+	Methyl alcohol cation	ch3oh+
425	CH3SH+	Methanethiol cation	ch3sh+
426	SiH3OH	silanol	sih3oh
427	CH3SeH	Methane selenol	ch3seh
428	NH2OH2+	protonated hydroxylamine	nh2oh2+
429	NH3OH+	N-protonated hydroxylamine	nh3oh+
430	H2OH2O	water dimer	h2oh2o
431	CH3OH2+	Methanol, protonated	ch3oh2+
432	H2ONH3	Water Ammonia Dimer	h2onh3
433	H5O2+	Dihydroxonium ion	h5o2+
434	LiCl-	lithium chloride anion	licl-
435	LiCl+	lithium chloride cation	licl+
436	KF	Potassium Fluoride	kf
437	NaCl	Sodium Chloride	nacl
438	NaCl-	sodium chloride anion	nacl-
439	NaCl+	sodium chloride cation	nacl+
440	KCl	Potassium Chloride	kcl
441	CuF	Copper monofluoride	cuf
442	LiBr	Lithium Bromide	libr
443	LiBr-	lithium bromide anion	libr-
444	LiBr+	lithium bromide cation	libr+
445	CuCl	Copper monochloride	cucl
446	NaBr	Sodium Bromide	nabr
447	NaBr-	sodium bromide anion	nabr-
448	NaBr+	sodium bromide cation	nabr+
449	KBr	Potassium Bromide	kbr
450	LiI	Lithium Iodide	lii
451	NaI	Sodium Iodide	nai
452	KI	Potassium Iodide	ki
453	BeCl	beryllium monochloride	becl
454	CaF	Calcium monofluoride	caf
455	MgCl	magnesium monochloride	mgcl
456	MgCl-	magnesium monochloride anion	mgcl-
457	MgCl+	magnesium monochloride cation	mgcl+
458	CaCl	calcium monochloride	cacl
459	TiCl	Titanium Monochloride	ticl
460	ZnF	Zinc monofluoride	znf
461	ZnF-	Zinc monofluoride anion	znf-
462	ZnF+	Zinc monofluoride cation	znf+
463	ZnCl	Zinc monochloride	zncl
464	CaBr	Calcium monobromide	cabr
465	BeCl-	beryllium monochloride anion	becl-
466	BeCl+	beryllium monochloride cation	becl+
467	AlF-	Aluminum monofluoride anion	alf-
468	AlF+	Aluminum monofluoride cation	alf+
469	BCl-	boron monochloride anion	bcl-
470	BCl+	boron monochloride cation	bcl+
471	AlCl-	aluminum monochloride anion	alcl-
472	AlCl+	aluminum monochloride cation	alcl+
473	ScF	Scandium monofluoride	scf
474	BBr	Boron monobromide	bbr
475	GaF	Gallium monofluoride	gaf
476	GaF+	Gallium monofluoride cation	gaf+
477	AlBr	Aluminum monobromide	albr
478	GaCl	Gallium monochloride	gacl
479	GaCl+	Gallium monochloride cation	gacl+
480	AlI	Aluminum monoiodide	ali
481	GaBr	Gallium monobromide	gabr
482	CCl	carbon monochloride	ccl
483	CCl-	carbon monochloride anion	ccl-
484	CCl+	carbon monochloride cation	ccl+
485	SiF-	silicon monofluoride anion	sif-
486	SiCl-	silicon monochloride anion	sicl-
487	SiCl+	silicon monochloride cation	sicl+
488	CBr	Carbon monobromide	cbr
489	GeF	Germanium monofluoride	gef
490	GeF+	Germanium monofluoride cation	gef+
491	GeCl	Germanium monochloride	gecl
492	GeCl+	Germanium monochloride cation	gecl+
493	SiBr	Silicon monobromide	sibr
494	SiBr+	Silicon monobromide cation	sibr+
495	NCl-	nitrogen monochloride anion	ncl-
496	NCl+	nitrogen monochloride cation	ncl+
497	PF-	phosphorus monofluoride anion	pf-
498	PF+	phosphorus monofluoride cation	pf+
499	PCl	phosphorus chloride	pcl
500	PCl-	phosphorus monochloride anion	pcl-
501	PCl+	phosphorus monochloride cation	pcl+
502	AsF	Arsenic monofluoride	asf
503	NBr	nitrogen monobromide	nbr
504	AsCl	Arsenic monochloride	ascl
505	PBr	Phosphorus monobromide	pbr
506	SbF	Antimony monofluoride	sbf
507	SbCl	Antimony monochloride	sbcl
508	ClO-	chlorine monoxide anion	clo-
509	ClO+	chlorine monoxide cation	clo+
510	SF-	sulfur monofluoride anion	sf-
511	SCl-	sulfur monochloride anion	scl-
512	BrO	Bromine monoxide	bro
513	BrO-	Bromine monoxide anion	bro-
514	BrO+	Bromine monoxide cation	bro+
515	SeF	Selenium monofluoride	sef
516	SBr+	Sulfur monobromide cation	sbr+
517	SeCl	Selenium monochloride	secl
518	IO	Iodine monoxide	io
519	SeBr	Selenium monobromide	sebr
520	BrCl	Bromine monochloride	brcl
521	ClF-	clorine monofluoride anion	clf-
522	ClF+	clorine monofluoride cation	clf+
523	BrF	Bromine monofluoride	brf
524	BrF-	bromine fluoride anion	brf-
525	BrF+	bromine fluoride cation	brf+
526	BrCl-	bromine chloride anion	brcl-
527	BrCl+	bromine chloride cation	brcl+
528	IF	Iodine monofluoride	if
529	Br2	Bromine diatomic	br2
530	Br2-	bromine diatomic anion	br2-
531	Br2+	bromine diatomic cation	br2+
532	ICl	Iodine monochloride	icl
533	IBr	Iodine monobromide	ibr
534	I2	Iodine diatomic	i2
535	I2+	Iodine diatomic cation	i2+
536	HCCl	Chloromethylene	hccl
537	HSiF	fluorosilylene	hsif
538	HSiCl	Chlorosilylene	hsicl
539	HSiBr	monobromosilylene	hsibr
540	CHBr	bromomethylene	chbr
541	DOCl	Hypochlorous acid-d	docl
542	HOCl+	hypochlorous acid cation	hocl+
543	HOBr	Hypobromous acid	hobr
544	HOBr+	Hypobromous acid cation	hobr+
545	HOI	Hypoiodous acid	hoi
546	F2H+	Fluorine, protonated	f2h+
547	FHF	Hydrogen difluoride	fhf
548	FHF-	Hydrogen difluoride anion	fhf-
549	ClFH+	Chlorine fluoride, F-protonated	clfh+
550	FClH+	Chlorine fluoride, Cl-protonated	fclh+
551	Cl2H+	Chlorine, protonated	cl2h+
552	CH2Br	bromomethyl radical	ch2br
553	CH2F	fluoromethyl radical	ch2f
554	CH2F+	fluoromethyl cation	ch2f+
555	CH2Cl+	chloromethyl cation	ch2cl+
556	NH2F	monofluoroamine	nh2f
557	NH2Cl	chloramine	nh2cl
558	CH3F+	methyl fluoride cation	ch3f+
559	CD3F	methylfluoride-d3	cd3f
560	CD3Cl	methyl chloride d3	cd3cl
561	CH3Cl+	Methyl chloride cation	ch3cl+
562	SiH3F	monofluorosilane	sih3f
563	CH3Br	methyl bromide	ch3br
564	GeH3F	monofluorogermane	geh3f
565	GeH3Cl	monochlorogermane	geh3cl
566	SiH3Br	bromosilane	sih3br
567	CH3I	methyl iodide	ch3i
568	SiH3I	Silyl Iodide	sih3i
569	NH3Cl+	protonated monochloroammonia	nh3cl+
570	CH3ClH+	methyl chloride, protonated	ch3clh+
571	NH4Cl	Ammonium chloride	nh4cl
572	LiNe+	Lithium Neon cation	line+
573	Ne2	Neon diatomic	ne2
574	Ne2+	Neon diatomic cation	ne2+
575	Ar2	Argon diatomic	ar2
576	Ar2+	Argon diatomic cation	ar2+
577	Li3	Lithium trimer	li3
578	Li3+	Lithium trimer cation	li3+
579	C3+	carbon trimer cation	c3+
580	SiC2	Silicon dicarbide	sic2
581	C3H3	cyclopropenyl radical	cpr
582	C3H3-	Propargyl anion	c3h3-
583	C3H3+	cyclopropenyl cation	cpr+
584	C3H3+	Propargyl cation	c3h3+
585	C3H4	cyclopropene	cprop
586	C3H5	Allyl radical	allyl
587	C3H5+	Allyl cation	allyl+
588	CH3CHCH	1-propenyl radical	ch3chch
589	Zn(CH3)2	dimethyl zinc	dmz
590	C3H7+	cyclopropane, protonated	c3h7+
591	CH3CHCH3	Isopropyl radical	isopropyl
592	CH3CHCH3+	Isopropyl cation	prop2yl+
593	SiH2(CH3)2	dimethylsilane	dms
594	LiCN	lithium cyanide	licn
595	NaCN	Sodium Cyanide	nacn
596	KCN	Potassium cyanide	kcn
597	CuCN	Copper cyanide	cucn
598	ZnCN	Zinc monocyanide	zncn
599	ZnNC	Zinc isocyanide	znnc
600	AlCN	Aluminum monocyanide	alcn
601	AlNC	Aluminum isocyanide	alnc
602	CN2	3H-Diazirin-3-ylidene	cn2
603	CNN	Diazocarbene	cnn
604	NCN	Cyanoimidogen	ncn
605	N3	azide radical	n3
606	N3-	azide anion	n3-
607	N3+	azide cation	n3+
608	HCCN	cyanomethylene	hccn
609	HCNN	diazomethyl radical	hcnn
610	HN3+	Hydrazoic acid cation	hn3+
611	HNCNH	diiminomethane	hncnh
612	CH2N2	diazirine	ch2n2
613	NH2CN	cyanamide	cyanamide
614	HNNNH+	1,2-Triazadienium	n2h3+
615	NH2NN+	hydrazoic acid, protonated	nh2nn+
616	CH3CN-	acetonitrile anion	ch3cn-
617	CH3CN+	Acetonitrile cation	ch3cn+
618	CHNCH2	2H-Azirine	c157164
619	CHNHCH	1H-Azirine	chnhch
620	H2CCNH	Ethenimine	ch2cnh
621	H2CNCH	methyleneaminomethylene	ch2nch
622	HCCNH2	Ethynamine	hccnh2
623	HCNCH2+	2H-Azirine cation	hcnch2+
624	HNCNH2+	diiminomethane, protonated	hncnh2+
625	NCNH3+	Cyanamide, protonated	ncnh3+
626	NH2CNH+	cyanamide, cn protonated	nh2cnh+
627	NH3CN+	cyanamide, amine protonated	nh3cn+
628	CH2CHNH	vinylazine	ch2chnh
629	CH3CHN	methylmethaniminyl radical	ch3chn
630	CH2CHNH2	aminoethene	aminoethene
631	CH2NCH3	N-methylmethanimine	nmm
632	CH3CHNH	ethanimine	ethanimine
633	NH2BHNH2	diaminoborane	nh2bhnh2
634	C2H5NH+	Protonated Aziridine	c2h5nh+
635	C2H6N+	aziridine, protonated	c2h6n+
636	NH2CH2NH2	diaminomethane	nh2ch2nh2
637	CH3PHCH3	dimethylphosphine	ch3phch3
638	NH2CH2NH3+	diaminoethane, protonated	pdam
639	(CH3)2NH2+	dimethylammonium cation	dmam
640	CH3CH2NH3+	ethylamine, protonated	pea
641	Li2O+	dilithium oxide cation	li2o+
642	Na2O	disodium monoxide	na2o
643	Na2S	Sodium sulfide	na2s
644	LiO2	Lithium dioxide	lio2
645	NaO2	Sodium superoxide	nao2
646	CCO	Dicarbon monoxide	cco
647	CNO-	fulminate	cno-
648	NCO	isocyanato radical	nco
649	NCO-	cyanate	nco-
650	SCN	thiocyanato radical	scn
651	SCN-	thiocyanide anion	scn-
652	BO2-	Boron dioxide anion	bo2-
653	BO2+	Boron dioxide cation	bo2+
654	N2O-	Nitrous oxide anion	n2o-
655	N2O+	Nitrous oxide cation	n2o+
656	PPO	Phosphorus oxide phosphide	ppo
657	CO2-	Carbon dioxide anion	co2-
658	CO2+	Carbon dioxide cation	co2+
659	OCS+	Carbonyl sulfide cation	cos+
660	SiO2	silicon dioxide	sio2
661	CS2-	Carbon disulfide anion	cs2-
662	CS2+	Carbon disulfide cation	cs2+
663	TiO2	Titanium dioxide	tio2
664	GeO2	Germanium dioxide	geo2
665	OCSe	Carbonyl selenide	ocse
666	SCSe	Carbon sulfide selenide	scse
667	GeS2	Germanium disulfide	ges2
668	CSe2	Carbon diselenide	cse2
669	SCTe	Carbon sulfide Telluride	scte
670	NO2-	Nitrogen dioxide anion	no2-
671	NO2+	Nitrogen dioxide cation	no2+
672	PO2	Phosphorus dioxide	po2
673	PO2-	Phosphorus dioxide anion	po2-
674	PO2+	Phosphorus dioxide cation	po2+
675	SNO	Nitrogen oxide sulfide	sno
676	AsO2	Aresenic dioxide	aso2
677	O3-	Ozone anion	o3-
678	O3+	Ozone cation	o3+
679	SO2-	Sulfur dioxide anion	so2-
680	SO2+	Sulfur dioxide cation	so2+
681	SSO	Disulfur monoxide	sso
682	S3-	Sulfur trimer anion	s3-
683	SeO2	Selenium dioxide	seo2
684	SeO2+	Selenium dioxide cation	seo2+
685	TeO2	Tellurium Dioxide	teo2
686	CS2H+	Carbon disulfide, protonated	cs2h+
687	HNCS	Isothiocyanic acid	hncs
688	HSCN	thiocyanic acid	hscn
689	HNNO	nitrosoazane	hnno
690	HNNO+	Nitrous oxide, N-protonated	hnno+
691	NNOH+	Nitrous Oxide, O-protonated	nnoh+
692	HCOO	formate neutral radical	hcoo
693	HOCO+	Hydrocarboxyl cation	hoco+
694	HNO2+	nitrous acid cation	hno2+
695	O3H+	protonated ozone	o3h+
696	SO2H+	protonated sulfur dioxide	so2h+
697	C2H2O	Oxirene	oxirene
698	CH2CO+	Ketene cation	ch2co+
699	Be(OH)2	Beryllium hydroxide	beo2h2
700	Mg(OH)2	Magnesium dihydroxide	h2mgo2
701	NH2NO	Nitrosamide	nh2no
702	H2COO	Dioxymethyl radical	h2coo
703	H2COO+	dioxymethyl cation	h2coo+
704	H2O3	Hydrogen trioxide	h2o3
705	NaOCH3	Sodium methoxide	naoch3
706	CH2BOH	hydroxy(methylene)borane	ch2boh
707	BH3CO	Borane carbonyl	bh3co
708	CH3BO	Borane, methyloxo-	ch3bo
709	CH2CHO	Vinyloxy radical	ch2cho
710	CH2COH+	ketene, protonated	ch2coh+
711	CH3CO-	Acetyl anion	ch3co-
712	CH3CO+	acetyl cation	ch3co+
713	CH2NOH	formaldoxime	ch2noh
714	CH3NO	nitrosomethane	ch3no
715	CNOH3	1,2-oxaziridine	cnoh3
716	HOCHNH	hydroxymethylimine	hochnh
717	CHSNH2	thioformamide	chsnh2
718	NHCHSH	Methanimidothioic acid	nhchsh
719	CH2OOH	CH2OOH radical	ch2ooh
720	CH3OO-	methylperoxy anion	ch3oo-
721	CH3OO+	methylperoxy cation	ch3oo+
722	C2H4O+	ethylene oxide cation	c2h4o+
723	CH3CHO+	acetaldehyde cation	ch3cho+
724	H2COCH2+	Methyl, (methyleneoxoniumyl)-	h2coch2+
725	CH2CHSH	Ethenethiol	ch2chsh
726	H2CONH2+	protonated formamide	h2conh2+
727	NH2CHOH+	Formamide, O-protonated	nh2choh+
728	NH3CHO+	Formamide, N-Protonated	nh3cho+
729	CH2(OH)2	methanediol	ch2o2h2
730	CH3OOH	Methyl peroxide	ch3ooh
731	HSCH2SH	Methanedithiol	ch4s2
732	H2OH2CO	water formaldehyde dimer	h2oh2co
733	C2H4OH+	ethylene oxide, protonated	c2h4oh+
734	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
735	CH3CH2O	Ethoxy radical	ethoxy
736	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
737	CH3CHOH+	acetaldehyde, protonated	ch3choh+
738	CH3OCH2	methoxymethyl radical	ch3och2
739	NH2CH2OH	aminomethanol	nh2ch2oh
740	CH3SCH3	Dimethyl sulfide	mesme
741	CH3SCH3+	dimethyl sulfide cation	mesme+
742	CH3SeCH3	dimethylselenide	dmse
743	CH3OHH2O	methanol water dimer	ch3ohh2o
744	H2OCH3OH	water methanol dimer	h2och3oh
745	CuF2	Copper difluoride	cuf2
746	ZnF2	Zinc difluoride	znf2
747	CNF	iso cyanogen fluoride	cnf
748	BrCN	Cyanogen bromide	brcn
749	ICN	Cyanogen iodide	icn
750	FBO	Boron monofluoride monoxide	fbo
751	BeF2	Beryllium fluoride	bef2
752	MgF2	Magnesium fluoride	mgf2
753	BeCl2	Beryllium chloride	becl2
754	MgCl2	Magnesium dichloride	mgcl2
755	CaCl2	Calcium Chloride	cacl2
756	ZnCl2	Zinc dichloride	zncl2
757	BeBr2	Beryllium bromide	bebr2
758	CaBr2	Calcium dibromide	cabr2
759	CaF2	Calcium difluoride	caf2
760	FCO	Carbonyl fluoride	fco
761	FCO+	Carbonyl fluoride cation	fco+
762	ClCO	carbonyl monochloride	clco
763	BF2	Boron difluoride radical	bf2
764	ClNO	Nitrosyl chloride	clno
765	BrNO	Nitrosyl bromide	brno
766	INO	Nitrosyl iodide	ino
767	CF2-	Difluoromethylene anion	cf2-
768	CF2+	Difluoromethylene cation	cf2+
769	CFCl	chlorofluoromethylene	cfcl
770	SiF2	Silicon difluoride	sif2
771	SiF2+	Silicon difluoride cation	sif2+
772	CCl2	dichloromethylene	ccl2
773	CCl2-	dichloromethylene anion	ccl2-
774	CCl2+	dichloromethylene cation	ccl2+
775	SiCl2	Dichlorosilylene	sicl2
776	GeF2	Germanium difluoride	gef2
777	CBr2	dibromomethylene	cbr2
778	FOO+	Fluorine dioxide cation	foo+
779	ClOO	chloroperoxy radical	cloo
780	ClOO+	chloroperoxy cation	cloo+
781	OClO-	Chlorine dioxide anion	oclo-
782	OClO+	Chlorine dioxide cation	oclo+
783	ClS2	Sulfur chloride	cls2
784	BrOO	Bromine dioxide	broo
785	OBrO	Bromine dioxide radical	obro
786	NF2+	Difluoroamino cation	nf2+
787	PF2	Phosphorus difluoride	pf2
788	PF2+	Phosphorus difluoride cation	pf2+
789	SF2-	sulfur difluoride anion	sf2-
790	SF2+	sulfur difluoride cation	sf2+
791	Cl2O	Dichlorine monoxide	cl2o
792	SeF2	Selenium difluoride	sef2
793	BrOCl	Bromine hypochlorite	brocl
794	BrOBr	Bromine oxide	brobr
795	F3-	trifluoride anion	f3-
796	Cl3-	trichloride anion	cl3-
797	Br3-	tribromide anion	br3-
798	I3-	triiodide	i3-
799	SFCl	Sulfur chloride fluoride	sfcl
800	HCCF+	fluoroacetylene cation	hccf+
801	HCCCl	Chloroacetylene	hcccl
802	HCCBr	bromoacetylene	hccbr
803	HFCO+	formyl fluoride cation	hfco+
804	COHCl	Formyl chloride	cohcl
805	COHBr	Formyl bromide	cohbr
806	BHCl2	Borane, dichloro-	bhcl2
807	CHCl2	dichloromethyl radical	chcl2
808	CHF2	difluoromethyl radical	chf2
809	CHF2+	difluoromethyl cation	chf2+
810	CHFCl	Chlorofluoromethyl radical	chfcl
811	CHFCl+	Chlorofluoromethyl cation	chfcl+
812	CHCl2+	dichloromethyl cation	chcl2+
813	CHBr2	dibromomethyl radical	chbr2
814	HOClO	Chlorous acid	hoclo
815	NHF2	difluoramine	nhf2
816	NHCl2	dichloroamine	nhcl2
817	CH2FCl	fluorochloromethane	ch2fcl
818	SiH2F2	difluorosilane	sih2f2
819	CH2BrF	Methane, bromofluoro-	ch2fbr
820	CH2BrCl	Methane, bromochloro-	ch2clbr
821	CH2FI	fluoroiodomethane	ch2fi
822	CH2Br2	dibromomethane	ch2br2
823	CH2ClI	chloroiodomethane	ch2cli
824	CH2BrI	bromoiodomethane	ch2bri
825	CH2I2	Diiodomethane	ch2i2
826	CH3MgBr	Methyl Magnesium Bromide	ch3mgbr
827	CH2CHF+	fluoroethene cation	ch2chf+
828	C2H3Cl	Ethene, chloro-	ch2chcl
829	C2H3Br	vinyl bromide	c2h3br
830	C2H3I	Vinyl iodide	c2h3i
831	CH2FOH	fluoromethanol	ch2foh
832	CH3OCl	methyl hypochlorite	ch3ocl
833	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
834	CHClCH3	1-chloroethyl radical	chclch3
835	CH3CH2Cl	Ethyl chloride	c2h5cl
836	CH3SiFH2	fluoromethylsilane	ch3sifh2
837	C2H5Br	Ethyl bromide	etbr
838	C2H5I	Ethyl iodide	c2h5i
839	KrF2	Krypton difluoride	krf2
840	XeF2	Xenon difluoride	xef2
841	B4H10	Tetraborane(10)	b4h10
842	C4+	Carbon tetramer cation	c4+
843	C4H2+	diacetlyene cation	c4h2+
844	C4H4	cyclobutadiene	cbd
845	C4H4	Tetrahedrane	c4h4
846	CHCCH2CH3	1-Butyne	c107006
847	CH3CHCHCH2	methylallyl radical	c4h7
848	C4H8	methylcyclopropane	mcp
849	CH2CHCH2CH3	1-Butene	bute1
850	B(CH3)3	trimethylborane	bme3
851	Al(CH3)3	trimethyl aluminum	tma
852	SiH(CH3)3	trimethylsilane	trimsi
853	Li3N	trilithium nitride	li3n
854	C2N2+	Cyanogen cation	c2n2+
855	P4	Phosphorus tetramer	p4
856	As4	Arsenic tetramer	as4
857	HCCCN+	Cyanoacetylene cation	hcccn+
858	H2CNCN	cyanamide, methylene	ch2ncn
859	HNCCNH	Ethenediimine	hnccnh
860	C3H3N+	acrylonitrile cation	ch2chcn+
861	CH3N3	methyl azide	ch3n3
862	NH2CCNH2	Diaminoacetylene	daa
863	NH2CH2CN	Aminoacetonitrile	aan
864	CH3NHN2+	methyl azide, protonated	ch3nhn2+
865	C2H5CN	ethyl cyanide	c2h5cn
866	CH5N3	Guanidine	guanidine
867	C4H6	Bicyclo[1.1.0]butane	c157335
868	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
869	H2NCHCHNH2	diaminoethylene	dae
870	CH6N3+	guanidinium	ch6n3+
871	CH7N3	triaminomethane	tam
872	C3H7N	Azetidine	azet
873	CH3NHNHCH3	dimethyl hydrazine	dmh
874	NH2CH2CH2CH3	1-Propanamine	pram1
875	P(CH3)3	trimethylphosphine	tmp
876	N(SiH3)3	trisilylamine	tsa
877	As(CH3)3	trimethyl arsine	tmas
878	(CH3)3NH+	protonated trimethyl amine	ptma
879	C3H7NH3+	n-propylamine, protonated	c3h7nh2
880	Li2O2	dilithium dioxide	li2o2
881	Na2O2	disodium dioxide	na2o2
882	K2O2	dipotassium dioxide	k2o2
883	C3O	Tricarbon monoxide	c3o
884	ONNO	NO dimer	onno
885	CO3	Carbon trioxide	co3
886	NO3-	nitrate anion	no3-
887	NO3+	nitrogen trioxide cation	no3+
888	SO3-	Sulfur trioxide anion	so3-
889	SO3--	Sulfate dianion	so3--
890	SO3+	Sulfur trioxide cation	so3+
891	SeO3	selenium trioxide	seo3
892	TeO3	Tellurium trioxide	teo3
893	HCO3-	bicarbonate anion	hco3-
894	HSO3	Hydroxysulfonyl radical	hso3
895	NH2NO2	nitramide	nh2no2
896	C2H2CO	cyclopropenone	c2h2co
897	C3H2O	Propadienal	c3h2o
898	HCCCHO	2-propynal	hcccho
899	C2H2O2+	Ethanedial cation	c2h2o2+
900	H2CO3	Carbonic acid	h2co3
901	H2CS3	thiocarbonic acid	h2cs3
902	H2NO3+	Nitric Acid, Protonated	h2no3+
903	H2SO3	Sulfurous acid	h2so3
904	C2H3NO	Nitrosoethylene	c2h3no
905	CH3NCO	methylisocyante	ch3nco
906	HOCH2CN	cyanomethanol	hoch2cn
907	NH2COOH	Carbamic acid	nh2cooh
908	H3BO3	Boric acid	h3bo3
909	H3CO3+	carbonic acid, protonated	h3co3+
910	C3H4O	2-Propyn-1-ol	c107197
911	C3H4O	Methylketene	c6004440
912	NH2CONH2+	Urea cation	urea+
913	NH2CSNH2	Thiourea	thiourea
914	C2H4O2	1,3-dioxetane	c2h4o2
915	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
916	NH3COOH+	protonated Carbamic acid	nh3cooh+
917	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
918	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
919	HCOOHH2O	Formic acid water dimer	hcoohh2o
920	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
921	CH3COCH2	Acetonyl radical	ch3coch2
922	CH2C(OH)NH2	1-amino vinyl alchohol	ava
923	CH3C(OH)=NH	Ethaninidic acid	eia
924	HCONHCH3	N-methylformamide	nmfa
925	CH5N2O+	urea, N-protonated	ch4n2o+
926	H2NCOHNH2+	urea, protonated	ureah+
927	C2H5OO	ethylperoxy radical	c2h5oo
928	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
929	C3H5OH	Cyclopropanol	cproh
930	C3H6O	2-Propen-1-ol	c107186
931	C3H6O	Acetone enol	enol
932	C3H6O	Oxetane	oxetane
933	CH3COCH3-	acetone anion	ch3coch3-
934	C3H6S	Thietane	thietane
935	C3H6S	Thiirane, methyl-	methiirane
936	CH3CSCH3	Thioacetone	ch3csch3
937	CH3OOCH3	dimethylperoxide	dmp
938	CH3SOCH3	Dimethyl sulfoxide	dmso
939	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
940	CH3SSCH3	Disulfide, dimethyl	ch3ssch3
941	CH3COHCH3+	acetone, protonated	acetoneh+
942	HOCH2CH2NH2	monoethanolamine	mea
943	C3H7SH	1-Propanethiol	prsh
944	CH3CHSHCH3	2-Propanethiol	isoprsh
945	CH3SCH2CH3	Ethane, (methylthio)-	etsme
946	H2OCH3OCH3	water dimethylether dimer	h2och3och3
947	Li2F2	Lithium fluoride dimer	li2f2
948	Na2F2	Sodium Fluoride Dimer	na2f2
949	Na2Cl2	Disodium dichloride	na2cl2
950	C2Cl2	dichloroacetylene	c2cl2
951	C2Cl2+	dichloroacetylene cation	c2cl2+
952	FNO2	Nitryl fluoride	fno2
953	FONO	Nitrosyl hypofluorite	fono
954	ClNO2	Nitryl chloride	clno2
955	ClONO	chlorine nitrite	clono
956	BrONO	Bromine nitrite	brono
957	CF2O+	Carbonic difluoride cation	f2co+
958	COFCl	Carbonic chloride fluoride	cofcl
959	CCl2O	Phosgene	cl2co
960	COBr2	Carbonic dibromide	cobr2
961	BF3-	Borane, trifluoro- anion	bf3-
962	BF3+	boron trifluoride cation	bf3+
963	BClF2	Chlorodifluoroborane	bclf2
964	AlF2Cl	Aluminum chloride difluoride	alclf2
965	ScF3	Scandium trifluoride	ScF3
966	AlFCl2	Aluminum dichloride fluoride	alcl2f
967	BCl3	Borane, trichloro-	bcl3
968	BCl3+	Boron Trichloride cation	bcl3+
969	GaF3	Gallium trifluoride	gaf3
970	AlCl3	Aluminum trichloride	alcl3
971	GaCl3	Gallium trichloride	gacl3
972	BBr3	Boron tribromide	bbr3
973	AlBr3	Aluminum Bromide	albr3
974	ClO3	Chlorine trioxide	clo3
975	ClO3-	chlorate anion	clo3-
976	BrO3-	Bromate anion	bro3-
977	CF3-	Trifluoromethyl anion	cf3-
978	CF3+	Trifluoromethyl cation	cf3+
979	CF2Cl	difluorochloromethyl radical	cf2cl
980	SiF3	Silicon trifluoride radical	sif3
981	SiF3+	Silicon trifluoride cation	sif3+
982	CFCl2	dichlorofluoromethyl radical	cfcl2
983	CCl3	Trichloromethyl radical	ccl3
984	CCl3-	Trichloromethyl anion	ccl3-
985	CCl3+	Trichloromethyl cation	ccl3+
986	SiCl3	trichlorosilyl radical	sicl3
987	SiCl3+	trichlorosilyl cation	sicl3+
988	CBr3	tribromomethyl radical	cbr3
989	FOOF	Perfluoroperoxide	foof
990	ClOOCl	Dichlorine dioxide	cloocl
991	SOCl2	thionyl chloride	socl2
992	SeOCl2	selenium oxychloride	seocl2
993	NF3-	Nitrogen trifluoride anion	nf3-
994	NF3+	Nitrogen trifluoride cation	nf3+
995	PF3	Phosphorus trifluoride	pf3
996	NCl3	nitrogen trichloride	ncl3
997	AsF3	Arsenic trifluoride	asf3
998	PCl3	Phosphorus trichloride	pcl3
999	SbF3	Antimony Trifluoride	sbf3
1000	AsCl3	Arsenous trichloride	ascl3
1001	SbCl3	Antimony Trichloride	sbcl3
1002	NBr3	Nitrogen Tribromide	nbr3
1003	PBr3	Phosphorus tribromide	pbr3
1004	AsBr3	Arsenic tribromide	asbr3
1005	NI3	Nitrogen triiodide	ni3
1006	PI3	Phosphorus triiodide	pi3
1007	ClSSCl	Disulfur dichloride	s2cl2
1008	BrF3	Bromine trifluoride	brf3
1009	IF3	iodone trifluoride	if3
1010	CHF2Cl	difluorochloromethane	chf2cl
1011	SiHF3	trifluorosilane	sihf3
1012	CHFCl2	fluorodichloromethane	chfcl2
1013	CDCl3	trichloromethane-d	cdcl3
1014	CHCl3	Chloroform	chcl3
1015	CHBrF2	Methane, bromodifluoro-	chbrf2
1016	SiHCl3	Trichlorosilane	sihcl3
1017	CHFClBr	fluorochlorobromomethane	chfclbr
1018	CHBrCl2	Methane, bromodichloro-	chbrcl2
1019	CHF2I	difluoroiodomethane	chf2i
1020	CHBr2F	dibromofluoromethane	chbr2f
1021	CHFClI	fluorochloroiodomethane	chfcli
1022	CHCl2I	dichloroiodomethane	chcl2i
1023	CHClBr2	Methane, dibromochloro-	chclbr2
1024	CHBr3	bromoform	chbr3
1025	CHI3	Iodoform	chi3
1026	NF3H+	protonated nitrogen trifluoride	nf3h+
1027	AsF3H+	Arsenic trifluoride, protonated	asf3h+
1028	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1029	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
1030	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1031	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1032	CH2CCl2	Ethene, 1,1-dichloro-	ch2ccl2
1033	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
1034	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
1035	C2H2Br2	1,1-dibromoethene	c2h2br2
1036	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1037	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1038	CH2FCHO	Fluoroacetaldehyde	ch2fcho
1039	CH2ClCHO	chloroacetaldehyde	ch2clcho
1040	CH3COCl	Acetyl Chloride	ch3cocl
1041	C2H4F2	1,2-difluoroethane	c2h4f2
1042	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1043	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1044	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1045	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
1046	CH2BrCH2Cl	1-bromo-2-chloroethane	ch2brch2cl
1047	CH2BrCH2Br	Ethane, 1,2-dibromo-	ch2brch2br
1048	CH2CFCH3	2-fluoropropene	2fpro
1049	CH2CHCH2F	Allyl Fluoride	allylf
1050	CH3CHCHF	trans-1-Fluoro-1-propene	propene1ft
1051	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
1052	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
1053	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
1054	CH2FCH2OH	2-fluoroethanol	ch2fch2oh
1055	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
1056	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
1057	CH2FCH2CH3	1-Fluoropropane	prf1
1058	CH3CHFCH3	2-Fluoropropane	prf2
1059	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
1060	CH3CHClCH3	Propane, 2-chloro-	prcl2
1061	CH3CH2CH2Br	n-propyl bromide	prbr
1062	CH3CHBrCH3	i-propyl bromide	iprbr
1063	C3H9O+	trimethyl oxonium cation	c3h9o+
1064	B5H9	pentaborane9	b5h9
1065	C5H4	pentatetraene	ptrene
1066	C5H5	cyclopentadienyl radical	c5h5
1067	C5H6	Propellane	propellane
1068	C5H7	1,3-pentadienyl radical	pdyl
1069	C5H7	cyclopentenyl radical	cpyl
1070	C5H8	1-pentyne	a1pentyne
1071	C5H8	Bicyclo[1.1.1]pentane	bcp
1072	C5H8	Ethenylcyclopropane	c693867
1073	CH3CCCH2CH3	2-Pentyne	2pentyne
1074	C5H10	Cyclopentane	c287923
1075	Si(CH3)4	tetramethylsilane	tms
1076	CH2N4	1H-Tetrazole	1htz
1077	C3H3N2	imidazolyl radical	im
1078	C3H3N2-	imidizolyl anion	im-
1079	C2H3N3	1H-1,2,4-Triazole	c288880
1080	C4H4N	pyrrolide radical	c4h4n
1081	C4H4N-	pyrrolide anion	c4h4n-
1082	C3H4N2	2H-Imidazole	imid2h
1083	C3H4N2	4H-Imidazole	imid4h
1084	C4H5N	2H-pyrrole	pyrrole2
1085	C4H5N	3H-pyrrole	pyrrole3
1086	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1087	C4H6N+	pyrrole, alpha-protonated	appyr
1088	C4H6N+	pyrrole, beta-protonated	bppyr
1089	C4H6N+	pyrrole, protonated	ppyr
1090	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1091	CH3CH2CH2CN	Butanenitrile	c109740
1092	NH(C2H5)2	diethylamine	dea
1093	NC4H12+	tetramethyl ammonium cation	nc4h12+
1094	C3O2+	Carbon suboxide cation	c3o2+
1095	B2O3	diboron trioxide	b2o3
1096	MgCO3	Magnesium Carbonate	mgco3
1097	BeCO3	Beryllium Carbonate	beco3
1098	CaCO3	Calcium Carbonate	caco3
1099	ONONO	Nitrosyl nitrite	onono
1100	PO4---	phosphate	po4---
1101	SO4--	sulfate	so4--
1102	HOONO2	peroxy nitric acid	hoono2
1103	HSO4-	bisulfate anion	hso4-
1104	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1105	C3H2O2	Propiolic acid	c3h2o2
1106	CHOCOOH	oxo acetic acid	oaa
1107	CHOOCHO	diformyl ether	choocho
1108	H2SO4	Sulfuric acid	h2so4
1109	H2SeO4	Selenic acid	h2seo4
1110	C3H3NO	Oxazole	oxazole
1111	C3H3NS	Thiazole	thiazole
1112	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1113	H3PO4	Phosphoric Acid	h3po4
1114	C4H4O+	Furan cation	furan+
1115	CH3COCCH	3-butyn-2-one	c1423605
1116	C4H4S	Thiophene	furans
1117	C4H4Se	selenophene	c4h4se
1118	C3H4O2	Methyl glyoxal	megly
1119	HOCHCCHOH	allenediol	aldiol
1120	C2H4O3	1,2,3-trioxolane	c2h4o3
1121	C2H4O3	trioxolane124	triox
1122	HOCH2COOH	Hydroxyacetic acid	hac
1123	CH5N3S	Hydrazinecarbothioamide	c79196
1124	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1125	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1126	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1127	CH2CHSCHCH2	Divinyl sulfide	divis
1128	CH3CH2COOH	Propanoic Acid	propanoic
1129	HCOOC2H5	Ethyl formate	faee
1130	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1131	C3H7NO	dimethylformamide	dmf
1132	C4H8O	Furan, tetrahydro-	thf
1133	C4H8S	Thiophene, tetrahydro-	tht
1134	C3H8S2	1,3-Propanedithiol	c109808
1135	C4H10O	1-Butanol	butanol1
1136	C4H10O	Methyl propyl ether	meopr
1137	C4H10O+	1-Butanol cation	butanol1+
1138	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1139	C2H5SC2H5	Diethyl sulfide	etset
1140	C4H9SH	1-Butanethiol	bush
1141	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1142	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1143	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1144	ClONO2	Chlorine nitrate	clono2
1145	BrONO2	Bromine nitrate	brono2
1146	TiCl4	Titanium tetrachloride	ticl4
1147	ClO4-	perchlorate anion	clo4-
1148	ClFO3	Perchloryl fluoride	clfo3
1149	SO2F2	Sulfuryl fluoride	so2f2
1150	SO2Cl2	Sulfuryl chloride	so2cl2
1151	F3PO	Phosphoryl fluoride	pf3o
1152	Cl3PO	Phosphoryl chloride	pcl3o
1153	CF3Cl	Methane, chlorotrifluoro-	cf3cl
1154	SiF4	Silicon tetrafluoride	sif4
1155	TiF4	Titanium tetrafluoride	tif4
1156	CFCl3	Trichloromonofluoromethane	cfcl3
1157	CF3Br	Bromotrifluoromethane	cf3br
1158	GeF4	Germanium tetrafluoride	gef4
1159	CCl4	Carbon tetrachloride	ccl4
1160	CCl4+	Carbon tetrachloride cation	ccl4+
1161	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1162	SiCl4	Silane, tetrachloro-	sicl4
1163	CBrCl2F	bromodichlorofluoromethane	cbrcl2f
1164	CF3I	trifluoroiodomethane	cf3i
1165	CBrCl3	Methane, bromotrichloro-	cbrcl3
1166	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1167	GeCl4	Germanium Tetrachloride	gecl4
1168	CBr2ClF	dibromochlorofluoromethane	cbr2clf
1169	CBr2Cl2	dibromodichloromethane	cbr2cl2
1170	CCl3I	trichloroiodomethane	ccl3i
1171	CFBr3	fluorotribromomethane	cfbr3
1172	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1173	CBr3Cl	tribromochloromethane	cbr3cl
1174	CF2I2	difluorodiiodomethane	cf2i2
1175	CBr4	Carbon tetrabromide	cbr4
1176	CCl2I2	dichlorodiiodomethane	ccl2i2
1177	SiBr4	Silicon tetrabromide	sibr4
1178	CBr3I	tribromoiododmethane	cbr3i
1179	GeBr4	Germanium tetrabromide	gebr4
1180	CI4	tetraiodomethane	ci4
1181	SiI4	silicon tetraiodide	sii4
1182	ClOF3	Chlorine trifluoride oxide	clof3
1183	SeF4	Selenium tetrafluoride	sef4
1184	SCl4	Sulfur tetrachloride	scl4
1185	C2HF3+	Trifluoroethylene cation	c2hf3+
1186	CHClCCl2	Trichloroethylene	chclccl2
1187	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1188	HSO3F	Fluorosulfonic acid	hso3f
1189	CF3OH	trifluoromethanol	cf3oh
1190	CH2ClCCCl	1,3-dichloropropyne	ch2clcccl
1191	CHClCCHCl	1,3-dichloroallene	chclcchcl
1192	CHCl2CCH	3,3-dichloropropyne	chcl2cch
1193	CHCl2CHO	dichloroacetaldehyde	chcl2cho
1194	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1195	CHF2CH2F	Ethane, 1,1,2-trifluoro	ch2fchf2
1196	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1197	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1198	CH2ClCHCl2	1,1,2-trichloroethane	ch2clchcl2
1199	CH3CCl3	Ethane, 1,1,1-trichloro-	ch3ccl3
1200	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1201	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1202	NH3BCl3	Amminetrichloroboron	nh3bcl3
1203	CH2CClCHCH2	1,3-Butadiene, 2-chloro-	c4h5cl
1204	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1205	CH2FCH2CH2F	1,3-difluoropropane	ch2fch2ch2f
1206	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1207	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1208	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1209	CH3CCl2CH3	Propane, 2,2-dichloro-	prdicl22
1210	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1211	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1212	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1213	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1214	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1215	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1216	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1217	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1218	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1219	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1220	C4H9F	1-fluorobutane	butaf1
1221	CH3CHFCH2CH3	2-fluorobutane	butaf2
1222	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1223	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1224	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1225	XeF4	Xenon tetrafluoride	xef4
1226	C2H2N2O	Furazan	furazan
1227	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1228	NH3BF3	Amminetrifluoroboron	nh3bf3
1229	C6H2	hexatriyne	c6h2
1230	C6H4	Benzyne	benzyne
1231	C6H5-	phenyl anion	phenyl-
1232	C6H6	Prismane	prismane
1233	C6H6	1,2,4,5-Hexatetraene	ht1245
1234	C6H6	3,4-Dimethylenecyclobutene	cb34m
1235	C6H6	Benzvalene	bv
1236	C6H6	Dewar Benzene	dewar
1237	C6H6	Hexa-1,5-diene-3-yne	hdy153
1238	C6H6	Trimethylenecycopropane	tmcp
1239	C6H6+	Benzene cation	c6h6+
1240	C6H7+	benzene, protonated	c6h7+
1241	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1242	C6H10	1,5-Hexadiene	c592427
1243	C6H10	cyclohexene	cyclohexene
1244	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1245	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1246	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1247	C6H12	(E)-2-Hexene	e2hexene
1248	C6H12	(E)-hex-3-ene	e3hexene
1249	C6H12	(Z)-hex-2-ene	z2hexene
1250	C6H12	(Z)-hex-3-ene	z3hexene
1251	C6H12	2,3-dimethylbut-1-ene	c563780
1252	C6H12	2,3-dimethyl-but-2-ene	tmeet
1253	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1254	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1255	N3P3	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1256	C4H2N2	Fumaronitrile	c4h2n2
1257	C2H2N4	sym-tetrazine	ttz
1258	C3H3N3	1,3,5-Triazine	triazine135
1259	C5H5N	E-2,4-pentadienenitrile	bdcn
1260	B3N3H6	borazine	borazine
1261	C5H6N+	Pyridinium	c5h6n
1262	C6H10	Bicyclo[3.1.0]hexane	c285585
1263	Li2CO3	Lithium Carbonate	li2co3
1264	Na2CO3	Sodium Carbonate	na2co3
1265	C2O4--	oxalate anion	c2o4
1266	MgSO4	Magnesium Sulfate	mgso4
1267	C3H2O3	vinylene carbonate	vica
1268	C2H2O4	Oxalic Acid	oxalic
1269	C4H4O2	2(5H)-Furanone	furanone
1270	C2H4N2S2	Ethanedithioamide	c79403
1271	C2H4CO3	Ethylene carbonate	etco3
1272	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1273	C3H4S3	1,3-Dithiolane-2-thione	c822388
1274	C2H4O4	Formic acid dimer	fadimer
1275	C4H5NS	4-Methylthiazole	c693958
1276	C2H5NO3	Nitric acid, ethyl ester	c625581
1277	C5H6O	2H-Pyran	pyran2
1278	C5H6O	2-methylfuran	furan2m
1279	C5H6O	3-Methylfuran	furan3m
1280	C5H6O	Pentadienal	pdal
1281	C5H6S	Thiophene, 2-methyl-	c554143
1282	C5H6S	Thiophene, 3-methyl-	c616444
1283	C4H6O2	γ–Butyrolactone	c96480
1284	C4H6O2	2,3-Butanedione	c431038
1285	C4H6O2	Crotonic Acid	crot
1286	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1287	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1288	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1289	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1290	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1291	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1292	C4H6OS	Vinyl sulfoxide	c1115157
1293	CH6N4S	Carbonothioic dihydrazide	thiacarb
1294	C3H6S3	1,3,5-Trithiane	c3h6s3
1295	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1296	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1297	C4H7NO	Ethoxyacetonitrile	etoaccn
1298	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1299	C3H7ONO	Propyl nitrite	prono
1300	C5H8O	Cyclopentanone	c120923
1301	C5H8O	Methyl cyclopropyl ketone	c765435
1302	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1303	C4H8O2	1,3-Dioxane	dioxan13
1304	C4H8O2	Ethyl acetate	c141786
1305	C4H8OS	s-Ethyl thioacetate	c625605
1306	C3H8O2S	(Methylsulfonyl)ethane	c594434
1307	C5H10O	2-methylbutyraldehyde	2meba
1308	C5H10O	2-Pentanone	mpk
1309	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1310	C5H10S	3-Ethylthio-1-propene	c5296628
1311	C5H10S	Cyclopentanethiol	c1679078
1312	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1313	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1314	C4H10OS	Diethyl sulfoxide	c70291
1315	C4H10S2	1,4-Butanedithiol	budisl14
1316	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1317	C5H12S	1-Butanethiol, 3-methyl-	c541311
1318	C5H12S	1-Pentanethiol	c110667
1319	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1320	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1321	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1322	C5H12S	Butane, 1-(methylthio)-	c628295
1323	C5H12S	Ethyl propyl sulfide	c4110503
1324	C5H12S	Propane, 2-(ethylthio)-	c5145993
1325	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1326	C4F2	difluorobutadiyne	c4f2
1327	ClCOClCO	Oxalyl chloride	oxcl
1328	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1329	B2Cl4	Diboron tetrachloride	b2cl4
1330	C2F4+	Tetrafluoroethylene cation	c2f4+
1331	C2ClF3	Ethene, chlorotrifluoro-	c2f3cl
1332	CF2CCl2	difluorodichloroethylene	cf2ccl2
1333	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1334	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1335	C2FCl3	fluorotrichloroethene	c2fcl3
1336	C2Cl4	Tetrachloroethylene	c2cl4
1337	C2Br4	tetrabromoethene	c2br4
1338	AsF5	Arsenic pentafluoride	asf5
1339	PCl5	Phosphorus pentachloride	pcl5
1340	SF5	Sulfur pentafluoride	sf5
1341	SF5+	pentafluoro sulfur cation	sf5+
1342	SbCl5	Antimony pentachloride	sbcl5
1343	BrF5	bromine pentafluoride	brf5
1344	ClF5	chlorinepentafluoride	clf5
1345	IF5	pentafluoroiodine	if5
1346	CF3CHO	trifluoroacetaldehyde	cf3cho
1347	CCl3CHO	trichloroacetaldehyde	ccl3cho
1348	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1349	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1350	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1351	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1352	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1353	CH2ClCCl3	1,1,1,2-tetrachloroethane	ch2clccl3
1354	CH2BrCBr3	1,1,1,2-tetrabromo ethane	c2h2br4
1355	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1356	CF3COOH	trifluoroacetic acid	cf3cooh
1357	C4H3ClO	Furan, 2-chloro	fur2cl
1358	C4H3ClO	Furan,3-chloro	fur3cl
1359	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1360	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1361	C4H8Cl2	1,4-Dichlorobutane	c110565
1362	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1363	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1364	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1365	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1366	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1367	C5H11Cl	Pentane, 1-chloro-	pencl1
1368	C4H8O2	Butanoic acid	bua
1369	C7H7	cycloheptatrienyl radical	c7h7
1370	C7H7+	cycloheptatrienyl cation	c7h7+
1371	C7H8	cycloheptatriene	cht
1372	C7H8	Norbornadiene	norbor
1373	C7H8	Quadricyclane	qucy
1374	C7H14	cycloheptane	c7h14
1375	C7H16	3-methylhexane	hex3m
1376	CH(CN)3	tricyanomethane	mecn3
1377	HN=C=C(CN)2	Dicyanoketenimine	c4hn3
1378	C6H7N	2-Methylpyridine	mp
1379	C6H13N	2-Methylpiperidine	pip2m
1380	C6H13N	cyclohexanamine	cham
1381	C6H15N	triethylamine	tea
1382	N2O5	Dinitrogen pentoxide	n2o5
1383	C4H2O3	Maleic Anhydride	malan
1384	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1385	C5H4O2	furfural	furfural
1386	C6H5O	phenoxy radical	phenoxy
1387	C5H5NO	2(1H)-Pyridinone	c72762006
1388	C5H5NO	2(3H)-Pyridinone	c9000048
1389	C5H5NO	2(5H)-Pyridinone	c9000037
1390	C5H5NO	2-Pyridinol	c109104
1391	C5H5NO	3(2H)-Pyridinone	c9000004
1392	C5H5NO	3(4H)-Pyridinone	c9000026
1393	C5H5NO	3(6H)-Pyridinone	c9000015
1394	C5H5NO	3-Pyridinol	c109002
1395	C5H5NO	4(1H)-Pryidinone	c9000060
1396	C5H5NO	4(3H)-Pryidinone	c9000059
1397	C5H5NO	4-Pyridinol	c626642
1398	C6H6O	2,4-Cyclohexadienone	c24599573
1399	C6H6O	2,5-Cyclohexadienone	c5664335
1400	C6H5SH	Benzenethiol	phsh
1401	HO2CCHNH2CH2OH	Serine	serine
1402	C5H8O2	Acetylacetone	acac
1403	C4H8O2S	Sulfolane	sulfolane
1404	C7H10	Norbornene	norbornene
1405	CH(C2H3)3	trivinyl methane	tvm
1406	C6H12O	hexanal	c6h12o
1407	C6H12O	Oxepane	oxepane
1408	C3H7OC3H7	di-n-propyl ether	propr
1409	F2CCCF2	tetrafluoroallene	pfa
1410	CF3COO-	trifluoro acetate anion	cf3coo-
1411	CF3COF	trifluoroacetyl fluoride	cf3cof
1412	CF3COCl	trifluoroacetyl chloride	cf3cocl
1413	PF6	Hexafluorophosphate neutral	pf6
1414	SF6	Sulfur Hexafluoride	sf6
1415	SeF6	Selenium hexafluoride	sef6
1416	CF3CHF2	pentafluoroethane	cf3chf2
1417	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1418	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1419	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1420	CCl3CHCl2	pentachloroethane	ccl3chcl2
1421	C6H5F	Fluorobenzene	bzf
1422	C6H5Cl	chlorobenzene	bzcl
1423	C6H5Br	bromobenzene	bzbr
1424	C8H6	Calicene	calicene
1425	C8H6	benzocyclobutadiene	bcbd
1426	C8H6	Pentalene	pentalene
1427	CH3C6H4CH3	meta-xylene	mxylene
1428	CH3C6H4CH3	paraxylene	pxylene
1429	C8H14	Bicyclo[2.2.2]octane	bico222
1430	C8H16	cyclooctane	cyclooct
1431	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1432	C8H18	Octane	c8h18
1433	C6H12N2	Triethylenediamine	ted
1434	C4O4--	squarate dianion	c4o4--
1435	S4N4	Tetrasulfur tetranitride	s4n4
1436	S8	Octasulfur	s8
1437	C6H4O2	parabenzoquinone	pbq
1438	C4H4N2O2	Uracil	uracil
1439	C5H9NO2	Proline	proline
1440	C6H12O2	Methyl pivalate	c598981
1441	C6H12O2	Hexanoic acid	hexa
1442	C4F4	tetrafluorcyclobutadiene	c4f4
1443	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1444	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1445	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1446	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1447	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1448	C2Cl6	hexachloroethane	c2cl6
1449	IF7	Iodine heptafluoride	if7
1450	C6H4F2	metadifluorobenzene	mdfb
1451	C6H4F2	orthodifluorobenzene	odfb
1452	C6H4F2	1,4-difluorobenzene	pdfb
1453	C6H4Cl2	1,2-dichlorobenzene	dcb12
1454	C6H4Cl2	1,3-dichlorobenzene	dcb13
1455	C6H4Cl2	1,4-dichlorobenzene	dcb14
1456	C6H5NO	nitrosobenzene	bzno
1457	C9H8	Indene	indene
1458	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1459	C9H12	n-propyl benzene	prbz
1460	C9H20	Nonane	nonane
1461	C(CN)4	tetracyanomethane	c5n4
1462	C5H4N4	purine	purine
1463	C8H7N	Indole	indole
1464	C3H3N3O3	cyanuric acid	cyanuric
1465	CH3COC6H5	acetophenone	acph
1466	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1467	C3F6	hexafluoropropene	c3f6
1468	C6H3F3	Benzene trifluoride 123	bzf3a
1469	C8H18O	1-Octanol	octanol
1470	C10H8	Azulene	azu
1471	C10H10	bullvalene	bullv
1472	C6N4	Tetracyanoethylene	tcne
1473	C6N4-	tetracyanoethylene anion	tcne-
1474	C10H22	Decane	decane
1475	C4F6	perfluorobutadiene	c4f6
1476	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1477	C3F8	perfluoropropane	c3f8
1478	Fe(CO)5	Iron pentacarbonyl	ipc
1479	Fe(C5H5)2	ferrocene	fecp2
1480	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1481	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1482	C12H8	Acenaphthylene	acenaph
1483	C12H8	biphenylene	biph
1484	C12H10	Heptalene	heptalene
1485	C6H12O6	Inositol	inositol
1486	C6F6	hexafluorobenzene	c6f6
1487	S2F10	disulphur decafluoride	s2f10
1488	C13H10	Fluorene	fluorene
1489	C14H10	Anthracene	anth
1490	C14H10	Phenanthrene	phenanthrene
1491	C14H14	Bibenzyl	bibenzyl
1492	C12H10N2	azobenzene	azobenzene
1493	C6H5COC6H5	benzophenone	benzophenone
1494	C16H10	Pyrene	pyrene
1495	C18H12	Tetracene	tetracene
1496	C19H16	Triphenylmethane	tpm
1497	C24H12	Coronene	coronene
1498	C60	Buckminsterfullerene	c60