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 CCSD /6-311G*

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	HD	Deuterium hydride	1Σg	D∞h
8	He	Helium atom	1S	Kh
9	He	Helium atom
10	He+	Helium atom cation	2S	Kh
11	Li	Lithium atom	2S	Kh
12	Na	Sodium atom	2S	Kh
13	K	Potassium atom	2S	Kh
14	Cu	Copper atom	2S	Kh
15	LiH	Lithium Hydride	1Σ	C∞v
16	NaH	sodium hydride	1Σ	C∞v
17	Be	Beryllium atom	1S	Kh
18	Be+	Beryllium atom cation	2S	Kh
19	Mg	Magnesium atom	1S	Kh
20	Mg+	Magnesium atom cation	2S	Kh
21	Ca	Calcium atom	1S	Kh
22	Zn	Zinc atom	1S	Kh
23	BeH	beryllium monohydride	2Σ	C∞v
24	MgH	magnesium monohydride	2Σ	C∞v
25	ZnH+	Zinc, protonated
26	BeH2	beryllium dihydride	1Σg	D∞h
27	BeH2+	Beryllium dihydride cation
28	MgH2	magnesium dihydride	1Σg	D∞h
29	B	Boron atom	2P	Kh
30	B	Boron atom	4P	Kh
31	B+	Boron atom cation	1S	Kh
32	Al	Aluminum atom	2P	Kh
33	Al-	Aluminum atom anion	3P	Kh
34	Al+	Aluminum atom cation	1S	Kh
35	Ga	Gallium atom	2P
36	Ga-	Gallium atom anion	3P	Oh
37	Ga+	Gallium atom cation	1S
38	BH	Boron monohydride	1Σ	C∞v
39	AlH	aluminum monohydride	1Σ	C∞v
40	GaH	Gallium monohydride	1Σ	C∞v
41	GaH+	Gallium monohydride cation	2Σ	C∞v
42	BH2	boron dihydride	2A1	C2v
43	AlH2	aluminum dihydride	2A1	C2v
44	BH3	boron trihydride	1A1'	D3h
45	BH3+	boron trihydride cation	2B2	C2v
46	BH3+	boron trihydride cation		C2v
47	AlH3	aluminum trihydride	1A1'	D3h
48	AlH3-	aluminum trihydride anion		C3v
49	BH4-	borohydride anion	1A1	Td
50	C	Carbon atom	3P0	Kh
51	C	Carbon atom	3P1	Kh
52	C+	Carbon atom cation	2P	Kh
53	Si	Silicon atom	3P	Kh
54	Si	Silicon atom	1S	Kh
55	Si-	Silicon atom anion	4S	Kh
56	Si+	Silicon atom cation	2P	Kh
57	Ge	Germanium atom	3P	Kh
58	Ge-	Germanium anion	4S	Kh
59	Ge+	Germanium cation	2P	Kh
60	CH	Methylidyne	2Π1/2	C∞v
61	SiH	Silylidyne	2Π	C∞v
62	GeH	germylidene	2Π	C∞v
63	CH2	Methylene	3B1	C2v
64	CH2-	methylene anion	2B1	C2v
65	SiH2	silicon dihydride	1A1	C2v
66	SiH2	silicon dihydride	3B1	C2v
67	GeH2	germylene	1A1	C2v
68	CH3	Methyl radical	2A1	D3h
69	SiH3	Silyl radical	2A1	C3v
70	GeH3	Germyl radical	2A1	C3v
71	GeH3+	germyl cation	1A1'	D3h
72	CH4	Methane	1A1	Td
73	SiH2D2	silane-d2
74	SiH4	Silane	1A1	Td
75	SiH5+	Silane, protonated
76	N	Nitrogen atom	4S	Kh
77	N+	Nitrogen atom cation	3P	Kh
78	P	Phosphorus atom	4S	Kh
79	As	Arsenic atomic	4S	Kh
80	As-	Arsenic anion	3P	Kh
81	As+	Arsenic cation	3P	Kh
82	NH	Imidogen	3Σ-	C∞v
83	PH	phosphorus monohydride	3Σ-	C∞v
84	AsH	Arsenic monohydride	3Σ	C∞v
85	ND2	Amidogen-d2	2B1	C2v
86	NH2	Amino radical	2B1	C2v
87	NH2+	Amino cation	3B1	C2v
88	NH2+	Amino cation	1A1	C2v
89	PH2	Phosphino radical	2B1	C2v
90	AsH2	Arsenic dihydride	2A1	C2v
91	ND3	Ammonia-d3	1A1	C3v
92	NH3	Ammonia	1A1	C3v
93	PH3	Phosphine	1A1	C3v
94	PH3+	Phosphine cation	2A1	C3v
95	AsH3	Arsine	1A1	C3v
96	AsH3+	Arsine cation	2A1	C3v
97	AsH4+	Arsonium
98	NH4	Ammonium radical
99	PH4	Phosphoranyl radical
100	O	Oxygen atom	3S	Kh
101	O+	Oxygen atom cation	4S	Kh
102	S	Sulfur atom	3P	Kh
103	S	Sulfur atom
104	Se	Selenium atom	3P	Kh
105	Se-	Selenium atom anion	2P	Kh
106	Se+	Selenium atom cation	4S	Kh
107	DO	Hydroxyl-d	2Π	C∞v
108	OH	Hydroxyl radical	2Π	C∞v
109	OH+	hydoxyl cation	3Σ	C∞v
110	DS	Mercapto-d	2Π	C∞v
111	HS	Mercapto radical	2Π	C∞v
112	HS+	sulfur monohydride cation	3Σ	C∞v
113	HSe	Selenium monohydride	2Π	C∞v
114	HSe-	selenium monohydride anion	1Σ	C∞v
115	HSe+	selenium monohydride cation	3Σ	C∞v
116	D2O	Deuterium oxide	1A1	C2v
117	H2O	Water	1A1	C2v
118	H2O-	water anion	2A1	C2v
119	H2O-	water anion	2A'	Cs
120	H2O+	water cation	2B1	C2v
121	HDO	Water-d1	1A1	C2v
122	D2S	Hydrogen sulfide-d2	1A1	C2v
123	H2S	Hydrogen sulfide	1A1	C2v
124	H2Se	Hydrogen selenide	1A1	C2v
125	H2Se+	Hydrogen selenide cation	2B1	C2v
126	H3S+	Sulfonium cation	1A1	C3v
127	H3Se+	Hydrogen Selenide, protonated	1A1	C3v
128	F	Fluorine atom	2P	Kh
129	F+	Fluorine atom cation	3S	Kh
130	Cl	Chlorine atom	2P	Kh
131	Cl+	Chlorine atom cation	3P	Kh
132	Br	Bromine atom	2P	Kh
133	Br-	Bromine atom anion	1S	Kh
134	Br+	Bromine atom cation	3P	Kh
135	I	Iodine atom	2P	Kh
136	DF	Hydrofluoric acid-d	1Σ	C∞v
137	HF	Hydrogen fluoride	1Σ	C∞v
138	HF-	hydrogen fluoride anion	2Σ	C∞v
139	HF+	hydrogen fluoride cation	2Π	C∞v
140	DCl	Hydrochloric acid-d	1Σ	C∞v
141	HCl	Hydrogen chloride	1Σ	C∞v
142	HCl-	hydrogen chloride anion	2Σ	C∞v
143	HCl+	hydrogen chloride cation	2Π	C∞v
144	HBr	hydrogen bromide	1Σ	C∞v
145	HBr-	hydrogen bromide anion	2Σ	C∞v
146	HBr+	hydrogen bromide cation	2Π	C∞v
147	HI+	Hydrogen iodide cation
148	H2Br+	protonated hydrogen bromide	2A1	C2v
149	H2I+	Iodonium
150	Ne	Neon atom	1S	Kh
151	Ne	Neon atom
152	Ne+	Neon atom cation	2P	Kh
153	Ar	Argon atom	1S	Kh
154	Kr	Krypton atom	1S	Kh
155	Kr+	Krypton cation	2P	Kh
156	HeLi+	Helium Lithium cation
157	ArH+	Argon hydride cation	1Σ	C∞v
158	Li2	Lithium diatomic	1Σg	D∞v
159	NaLi	lithium sodium	1Σ	C∞v
160	Na2	Sodium diatomic	1Σg	D∞h
161	Na2-	sodium diatomic anion	2Σu	D∞h
162	K2	Potassium diatomic	1Σg	D∞h
163	Be2	Beryllium diatomic	3Πg	D∞h
164	Mg2	Magnesium diatomic	1Σg	D∞h
165	LiAl	Lithium Aluminum
166	Al2	Aluminum diatomic	3Σg	D∞h
167	HBBH	Diborane(2)	3ΣG	D∞h
168	B2H6+	Diborane cation
169	CaC	Calcium monocarbide
170	C2	Carbon diatomic	1Σg+	D∞h
171	Si2	Silicon diatomic	3Σg	D∞h
172	GeC	Germanium monocarbide	1Σ	C∞v
173	SiGe	Silicon Germanium
174	C2H	Ethynyl radical	2Σ	C∞v
175	C2H2	Acetylene	1Σg	D∞h
176	C2H2+	acetylene cation	2Πu	D∞h
177	C2H2+	acetylene cation
178	H2CC-	vinylidene anion
179	HCCH-	acetylene anion
180	HCCH-	acetylene anion
181	Si2H2	disilyne
182	Si2H2	disilyne
183	Si2H2	disilyne
184	Si2H2	disilyne
185	CH3Li	methyl lithium	1A1	C3v
186	CuCH3	monomethyl copper	1A1	C3v
187	C2H3	vinyl	2A'	Cs
188	C2H3+	vinyl cation	1A1	C2V bridging H
189	C2H3+	vinyl cation	1A1	C2V HCCH2
190	C2H4	Ethylene	1Ag	D2h
191	Si2H4	Disilene
192	Si2H4	Disilene
193	Si2H4	Disilene
194	C2H5	Ethyl radical	2A'	Cs
195	C2H6	Ethane	1A1g	D3d
196	CH3SiH3	methyl silane	1A1	C3
197	Si2H6	disilane	1Eu	D3d
198	LiN	Lithium Nitride	3Σ	C∞v
199	LiP	Lithium monophosphide
200	LiP	Lithium monophosphide
201	MgN	Magnesium Nitride
202	MgN	Magnesium Nitride
203	GaAs	Gallium arsenide	3Π
204	GaAs	Gallium arsenide	1Σ
205	CN	Cyano radical	2Σ	C∞v
206	CP	Carbon monophosphide	2Σ	C∞v
207	SiP	Silicon monophosphide	2Π	C∞v
208	N2	Nitrogen diatomic	1Σg	D∞h
209	N2	Nitrogen diatomic
210	PN	Phosphorus mononitride	1Σ	C∞v
211	P2	Phosphorus diatomic	1Σg	D∞h
212	HCN	Hydrogen cyanide	1Σ	C∞v
213	HCN+	hydrogen cyanide cation	2Π	C∞v
214	HNC+	hydrogen isocyanide cation
215	HCP	Phosphaethyne	1Σ	C∞v
216	HCP+	Phosphaethyne cation
217	NNH+	Dinitrogen monohydride cation	1Σ	C∞v
218	HPO	Hydrogen phosphorus oxide	1A'	Cs
219	LiNH2	lithium amide
220	H2NN	Isodiazene
221	N2H2	(E)-diazene	1Ag	C2h
222	CH2NH	Methanimine	1A'	Cs
223	CH2NH+	Methanimine cation
224	CHNH2	aminomethylene
225	CHNH2+	Aminocarbene cation
226	CH2PH	Phosphaethene	1A'	Cs
227	BH2NH2	Boranamine
228	N2H4	Hydrazine	1A	C2
229	P2H4	Diphosphine	1A	C2
230	CH3NH2	methyl amine	1A'	Cs
231	CH3PH2	Methyl phosphine	1A'	Cs
232	SiH3NH2	Silane, amino
233	BH3PH3	borane phosphine
234	N2H7+	ammonia ammonium dimer
235	LiO	lithium oxide	2Σ	C∞v
236	NaO	sodium monoxide	2Σ	C∞v
237	CuO	Copper Monoxide	2Π	C∞v
238	LiSe	Lithium monoselenide
239	BeO	beryllium oxide	1Σ	C∞v
240	BeS	beryllium sulfide	1Σ	C∞v
241	MgO	magnesium oxide	1Σ+	C∞v
242	CaO	Calcium monoxide	1Σ	C∞v
243	MgS	magnesium sulfide	1Σ	C∞v
244	BO	boron monoxide	2Σ	C∞v
245	BS	boron sulfide	2Σ	C∞v
246	AlS	Aluminum sulfide	2Σ	C∞v
247	GaO	Gallium monoxide	2Σ	C∞v
248	GaS	Gallium monosulfide
249	CO	Carbon monoxide	1Σ	C∞v
250	CO+	carbon monoxide cation	2Σ	C∞v
251	CS	carbon monosulfide	1Σ	C∞v
252	SiO	Silicon monoxide	1Σ	C∞v
253	SiS	silicon monosulfide	1Σ	C∞v
254	CSe	Carbon monoselenide	1Σ	C∞v
255	GeO	Germanium monoxide	1Σ	C∞v
256	SiSe	Silicon Monoselenide
257	SiSe+	Silicon Monoselenide cation
258	GeSe	Germanium monoselenide
259	NO	Nitric oxide	2Π	C∞v
260	NO-	nitric oxide anion	3Σ	C∞v
261	NS	Mononitrogen monosulfide	2Π	C∞v
262	PO	Phosphorus monoxide	2Π	C∞v
263	PS	phosphorus sulfide	2Σ	C∞v
264	O2	Oxygen diatomic	3Σg	D∞h
265	O2--	dioxygen dianion
266	SO	Sulfur monoxide	3Σ	C∞v
267	SO	Sulfur monoxide	1Σ	C∞v
268	SO+	sulfur monoxide cation	2Π	C∞v
269	S2	Sulfur diatomic	3Σg	D∞h
270	SeO	Selenium monoxide	3Σ	C∞v
271	SeS	Selenium monosulfide	3Σ	C∞v
272	Se2	Selenium diatomic	3Σg	D∞h
273	LiOH	lithium hydroxide	1Σ	C∞v
274	NaOH	sodium hydroxide	1Σ	C∞v
275	BeOH	beryllium monohydroxide	2A'	Cs
276	MgOH	magnesium hydroxide	2A'	Cs
277	CaOH	Calcium monohydroxide	2Σ+	C∞v
278	HBO	Boron hydride oxide	1Σ	C∞v
279	HBS	hydrogen boron sulfide	1Σ	C∞v
280	COH	Hydroxymethylidyne
281	HCO	Formyl radical	2A'	Cs
282	HCO+	Formyl cation	1Σ	C∞v
283	HNO	Nitrosyl hydride	1A'	Cs
284	HNO+	Nitrosyl hydride cation	2A'	Cs
285	HO2	Hydroperoxy radical	2A"	Cs
286	HSO+	Sulfur Monoxide, S-protonated
287	SOH	Sulfur Hydroxide
288	SOH+	Sulfur Monoxide, protonated
289	H2CO	Formaldehyde	1A1	C2v
290	H2CO-	formaldehyde anion	2A'	Cs
291	H2CO+	formaldehyde cation	2B2	C2v
292	H2CS	Thioformaldehyde	1A1	C2v
293	H2CS-	thioformaldehyde anion
294	H2CS-	thioformaldehyde anion
295	H2CSe	Selenoformaldehyde
296	H2O2	Hydrogen peroxide	1A	C2
297	H2O2	Hydrogen peroxide	1Ag	C2h
298	H2OO	water oxide
299	HOSH	hydrogen thioperoxide
300	H2S2	Disulfane	1A	C2
301	H2Se2	hydrogen diselenide
302	CH2OH	Hydroxymethyl radical	2A	C1
303	NH2OH	hydroxylamine	1A'	Cs
304	NH2OH+	Hydroxylamine cation
305	NH2SH	Thiohydroxylamine
306	NH2SH	Thiohydroxylamine
307	NH3S	sulfidoazane
308	CH3OH	Methyl alcohol	1A'	Cs
309	CH3OH+	Methyl alcohol cation	2A"	Cs
310	CH3SH	Methanethiol	1A'	Cs
311	SiH3OH	silanol
312	NH2OH2+	protonated hydroxylamine
313	NH3OH+	N-protonated hydroxylamine
314	LiF	lithium fluoride	1Σ	C∞v
315	LiCl	lithium chloride	1Σ	C∞v
316	NaF	sodium fluoride	1Σ	C∞v
317	NaF+	sodium fluoride cation	2Σ	C∞v
318	NaCl	Sodium Chloride	1Σ	C∞v
319	CuF	Copper monofluoride	1Σ	C∞v
320	LiBr	Lithium Bromide	1Σ	C∞v
321	CuCl	Copper monochloride	1Σ	C∞v
322	NaBr	Sodium Bromide	1Σ	C∞v
323	LiI	Lithium Iodide
324	NaI	Sodium Iodide
325	LiF+	lithium fluoride cation	2Π	C∞v
326	BeF	Beryllium monofluoride	2Σ	C∞v
327	BeCl	beryllium monochloride	2Σ	C∞v
328	MgF	Magnesium monofluoride	2Σ	C∞v
329	MgCl	magnesium monochloride	2Σ	C∞v
330	CaBr	Calcium monobromide
331	BF	Boron monofluoride	1Σ	C∞v
332	AlF	Aluminum monofluoride	1Σ+	C∞v
333	BCl	boron monochloride	1Σ	C∞v
334	GaF	Gallium monofluoride	1Σ	C∞v
335	AlBr	Aluminum monobromide
336	GaCl	Gallium monochloride	1ΣG	C∞v
337	GaBr	Gallium monobromide
338	CF	Fluoromethylidyne	2Π	C∞v
339	CCl	carbon monochloride	2Π	C∞v
340	SiF	silicon monofluoride	2Π	C∞v
341	SiCl	Clorosilylidyne	2Π	C∞v
342	GeF	Germanium monofluoride	2Π	C∞v
343	GeCl	Germanium monochloride	2Π	C∞v
344	GeCl+	Germanium monochloride cation
345	SiBr	Silicon monobromide	2Π	C∞v
346	SiBr+	Silicon monobromide cation
347	NF	nitrogen fluoride	3Σ	C∞v
348	NCl	nitrogen monochloride	3Σ	C∞v
349	PF	phosphorus monofluoride	3Σ	C∞v
350	PCl	phosphorus chloride	3Σ	C∞v
351	PBr	Phosphorus monobromide
352	FO	Oxygen monofluoride	2Π	C∞v
353	ClO	Monochlorine monoxide	2Π	C∞v
354	ClO+	chlorine monoxide cation	3Σ	C∞v
355	SF	Monosulfur monofluoride	2Π	C∞v
356	SF+	sulfur monofluoride cation	3Σ	C∞v
357	SCl	sulfur monochloride	2Π	C∞v
358	SCl+	sulfur monochloride cation	3Σg	C∞v
359	BrO	Bromine monoxide	2Π	C∞v
360	BrO+	Bromine monoxide cation
361	SBr	Sulfur monobromide radical
362	SBr+	Sulfur monobromide cation
363	SeBr	Selenium monobromide
364	BrCl	Bromine monochloride	1Σ	C∞v
365	F2	Fluorine diatomic	1Σg	D∞h
366	F2+	flourine diatomic cation	2Πg	D∞h
367	ClF	Chlorine monofluoride	1Σ+	C∞v
368	ClF+	clorine monofluoride cation	2Π	C∞v
369	Cl2	Chlorine diatomic	1Σg	D∞h
370	Cl2+	chlorine diatomic cation	2Πg	D∞h
371	BrF	Bromine monofluoride	1Σ	C∞v
372	IF	Iodine monofluoride	1Σ	C∞v
373	Br2	Bromine diatomic	1Σg	D∞h
374	Br2-	bromine diatomic anion	2Σu	D∞h
375	Br2+	bromine diatomic cation	2Πg	D∞h
376	ICl	Iodine monochloride	1Σ	C∞v
377	IBr	Iodine monobromide	1Σ	C∞v
378	I2+	Iodine diatomic cation	2Πg	D∞v
379	HCF	Fluoromethylene	1A'	Cs
380	HCF	Fluoromethylene	3A"	Cs
381	HSiF	fluorosilylene
382	HSiCl	Chlorosilylene
383	HSiBr	monobromosilylene
384	HOF	Hypofluorous acid	1A'	Cs
385	DOCl	Hypochlorous acid-d	1A'	Cs
386	HOCl	hypochlorous acid	1A'	Cs
387	HOCl+	hypochlorous acid cation
388	ClFH+	Chlorine fluoride, F-protonated
389	FClH+	Chlorine fluoride, Cl-protonated
390	CH2Br	bromomethyl radical
391	CH2F+	fluoromethyl cation
392	CH2Cl+	chloromethyl cation
393	CH2Cl	chloromethyl radical	2A'	Cs
394	CH2Cl	chloromethyl radical	2B1	C2v
395	NH2Cl	chloramine	1A'	Cs
396	CH3F+	methyl fluoride cation
397	CH3F	Methyl fluoride	1A1	C3v
398	CH3Cl	Methyl chloride	1A1	C3v
399	CH3Cl+	Methyl chloride cation
400	SiH3F	monofluorosilane	1A1	C3v
401	SiH3Cl	chlorosilane	1A1	C1
402	CH3Br	methyl bromide	1A1	C3v
403	GeH3F	monofluorogermane
404	GeH3Cl	monochlorogermane
405	NH3Cl+	protonated monochloroammonia
406	CH3ClH+	methyl chloride, protonated
407	NH4Cl	Ammonium chloride
408	LiNe+	Lithium Neon cation
409	Ar2	Argon diatomic	1Sg	D∞h
410	C3	carbon trimer	1Σg	D∞h
411	C3	carbon trimer	1A1	C2v
412	SiC2	Silicon dicarbide
413	C3H4	cyclopropene	1A1	C2v
414	CH2CCH2	allene	1A1	D2d
415	CH3CCH	propyne	1A'	C3v
416	C3H5	Allyl radical	2A2	C2v
417	C3H6	Cyclopropane	1A1'	D3h
418	CH2CHCH3	Propene	1A'	Cs
419	C3H7	n-Propyl radical	2A"	C1
420	Si3H8	trisilane
421	AlCN	Aluminum monocyanide
422	AlNC	Aluminum isocyanide
423	CNN	Diazocarbene
424	HN3	hydrogen azide	1A'	Cs
425	HN3+	Hydrazoic acid cation
426	HNCNH	diiminomethane	1A	C2
427	HNNNH+	1,2-Triazadienium
428	NH2NN+	hydrazoic acid, protonated
429	CH3CN	Acetonitrile	1A1	C3v
430	CH3CN-	acetonitrile anion	2E	C3v
431	CH3CN-	acetonitrile anion	2A'	Cs
432	CHNCH2	2H-Azirine
433	CHNHCH	1H-Azirine
434	H2CCNH	Ethenimine
435	H2CNCH	methyleneaminomethylene
436	HCCNH2	Ethynamine
437	HCNCH2+	2H-Azirine cation
438	NH2CNH+	cyanamide, cn protonated
439	NH3CN+	cyanamide, amine protonated
440	CH3CH2NH2	Ethylamine
441	Na2S	Sodium sulfide
442	Na2S	Sodium sulfide
443	LiO2	Lithium dioxide
444	NaO2	Sodium superoxide
445	CCO	Dicarbon monoxide	3Σ	C∞v
446	NCO	isocyanato radical	2Π	C∞v
447	N2O	Nitrous oxide	1Σ	C∞v
448	CO2	Carbon dioxide	1Σg	D∞h
449	OCS	Carbonyl sulfide	1Σ	C∞v
450	CS2	Carbon disulfide	1Σg	D∞h
451	GeO2	Germanium dioxide	1Σg	D∞h
452	OCSe	Carbonyl selenide	1Σ	C∞v
453	SCSe	Carbon sulfide selenide
454	NSO	sulfinyl amidogen
455	SNO	Nitrogen oxide sulfide
456	O3	Ozone	1A1	Cs
457	SO2	Sulfur dioxide	1A1	C2v
458	SSO	Disulfur monoxide	1A'	Cs
459	S3	Sulfur trimer	1A1	C2v
460	S3	Sulfur trimer
461	SeO2	Selenium dioxide	1A1	C2v
462	HCCO	ketenyl radical	2Π	C∞v
463	HCCO	ketenyl radical	2A"	Cs
464	HCNO	fulminic acid	1Σ	C∞v
465	HNCS	Isothiocyanic acid
466	HSCN	thiocyanic acid	1A'	Cs
467	HOCO	Hydrocarboxyl radical	1A'	cis
468	HOCO	Hydrocarboxyl radical	1A'	trans
469	O3H+	protonated ozone	1A'	Cs
470	O3H+	protonated ozone
471	C2H2O	Oxirene	1A1	C2v
472	CH2CO	Ketene	1A1	C2v
473	CH2CS	Thioketene
474	Be(OH)2	Beryllium hydroxide
475	Be(OH)2	Beryllium hydroxide
476	HCOOH	Formic acid
477	BH3CO	Borane carbonyl	1A1	C3v
478	CH3CO	Acetyl radical	2A'	Cs
479	CHSNH2	thioformamide
480	NHCHSH	Methanimidothioic acid
481	C2H4O	Ethylene oxide	1A1	C2v
482	C2H4O+	ethylene oxide cation
483	CH3CHO	Acetaldehyde	1A'	Cs
484	CH3CHO+	acetaldehyde cation
485	H2COCH2+	Methyl, (methyleneoxoniumyl)-
486	C2H4S	Thiirane	1A1	C2v
487	CH2CHSH	Ethenethiol
488	CH3CHS	Thioacetaldehyde	1A'	C1
489	NH2CHOH+	Formamide, O-protonated
490	CH3SSH	Hydrogen methyl disulfide
491	HSCH2SH	Methanedithiol
492	NH2CH2OH	aminomethanol
493	CH3CH2SH	ethanethiol	1A'	Cs
494	CH3CH2SH	ethanethiol	1A	C1
495	CH3SCH3	Dimethyl sulfide	1A1	C2v
496	CH3SCH3+	dimethyl sulfide cation
497	BrCN	Cyanogen bromide	1Σ	C∞v
498	ICN	Cyanogen iodide	1Σ	C∞v
499	FBO	Boron monofluoride monoxide
500	BeBr2	Beryllium bromide
501	CaBr2	Calcium dibromide
502	CaF2	Calcium difluoride	1Σg	C2v
503	FNO	Nitrosyl fluoride	1A'	Cs
504	ClNO	Nitrosyl chloride	1A'	Cs
505	OPCl	Phosphorus oxychloride
506	CF2	Difluoromethylene	1A1	D∞h
507	SiF2	Silicon difluoride	1A1	C2v
508	GeCl2	Germanium dichloride	1A1	C2v
509	FOO+	Fluorine dioxide cation
510	OClO	Chlorine dioxide	2B1	D∞h
511	OClO-	Chlorine dioxide anion	1A'	Cs
512	BrOO	Bromine dioxide
513	PF2	Phosphorus difluoride
514	PF2+	Phosphorus difluoride cation
515	SF2	sulfur difluoride	1A1	C2v
516	SeF2	Selenium difluoride
517	SeCl2	Selenium Dichloride
518	SBr2	Sulfur dibromide
519	SeBr2	Selenium dibromide
520	Br3-	tribromide anion
521	SFCl	Sulfur chloride fluoride
522	HCCF	Fluoroacetylene	1Σ	C∞v
523	CHF2	difluoromethyl radical	2A	Cs
524	CHF2+	difluoromethyl cation
525	CHFCl	Chlorofluoromethyl radical
526	CHFCl+	Chlorofluoromethyl cation
527	CHCl2+	dichloromethyl cation
528	CHBr2	dibromomethyl radical
529	NHF2	difluoramine
530	NHCl2	dichloroamine
531	CH2F2	Methane, difluoro-	1A1	C2v
532	SiH2F2	difluorosilane
533	CH2Cl2	Methylene chloride	1A1	C2v
534	CH2BrCl	Methane, bromochloro-	1A'	Cs
535	CH2FI	fluoroiodomethane
536	CH2Br2	dibromomethane	1A1	C2v
537	CH2I2	Diiodomethane
538	CH3MgBr	Methyl Magnesium Bromide
539	CH2CHF	Ethene, fluoro-	1A'	Cs
540	CH2FOH	fluoromethanol
541	C2H5Br	Ethyl bromide	1A'	Cs
542	C2H5I	Ethyl iodide
543	C4	Carbon tetramer	3Σg	D∞h
544	C4	Carbon tetramer
545	C4H2+	diacetlyene cation	2Πg	D∞h
546	C4H4	Tetrahedrane
547	C4H6	1-Methylcyclopropene	1A	C1
548	CH2CHCH2CH3	1-Butene	1A	C1
549	As4	Arsenic tetramer	1A1	Td
550	H2CNCN	cyanamide, methylene
551	HNCCNH	Ethenediimine
552	C2H5CN	ethyl cyanide	1A'	Cs
553	H2NCHCHNH2	diaminoethylene
554	N(SiH3)3	trisilylamine
555	As(CH3)3	trimethyl arsine	1A1	C3v
556	Na2O2	disodium dioxide
557	K2O2	dipotassium dioxide
558	ONNO	NO dimer	1Ag	trans C2H
559	ONNO	NO dimer	1A1	cis C2V
560	CS3--	Carbonotrithioate
561	SO3	Sulfur trioxide	1A1'	D3h
562	SO3--	Sulfate dianion
563	S4	Sulfur tetramer
564	S4	Sulfur tetramer
565	S4	Sulfur tetramer
566	HNO3	Nitric acid	1A'	Cs
567	C3H2O	Propadienal
568	C3H2O	Propadienal
569	C2H2O2	Ethanedial	1Ag	C2h
570	CH3NCO	methylisocyante
571	HOCH2CN	cyanomethanol
572	CH3NO2	Methane, nitro-	1A'	Cs
573	H3AlO3	Aluminum hydroxide
574	CH2CHCHO	Acrolein	1A'	Cs
575	CH2CHCHO	Acrolein
576	CH2C(OH)NH2	1-amino vinyl alchohol
577	CH3C(OH)=NH	Ethaninidic acid
578	CH3CSNH2	Ethanethioamide
579	CH3CH2CHO	Propanal	1A'	Cs
580	C3H7OH	1-Propanol
581	Li2F2	Lithium fluoride dimer
582	CF2O	Carbonic difluoride	1A1	C2v
583	CF2O+	Carbonic difluoride cation
584	BF3	Borane, trifluoro-	1A'	D3h
585	BF3+	boron trifluoride cation
586	AlF3	Aluminum trifluoride	1A1'	D3h
587	BClF2	Chlorodifluoroborane
588	BCl3	Borane, trichloro-	1A1'	D3h
589	BCl3+	Boron Trichloride cation
590	GaF3	Gallium trifluoride	1A1'	D3h
591	GaCl3	Gallium trichloride	1A1'	D3h
592	CF2Cl	difluorochloromethyl radical
593	CFCl2	dichlorofluoromethyl radical
594	CBr3	tribromomethyl radical
595	SSCl2	Thiothionyl chloride
596	NF3	Nitrogen trifluoride	1A1	C3v
597	NCl3	nitrogen trichloride	1A1	C3v
598	NBr3	Nitrogen Tribromide	1A1	C3v
599	NI3	Nitrogen triiodide
600	PI3	Phosphorus triiodide
601	HClO3	Chloric Acid	1A'	Cs
602	HClO3	Chloric Acid	1A	C1
603	CHF3	Methane, trifluoro-	1A1	C3v
604	SiHF3	trifluorosilane
605	CHBrF2	Methane, bromodifluoro-	1A'	Cs
606	CHBrCl2	Methane, bromodichloro-	1A'	Cs
607	CHBr2F	dibromofluoromethane
608	C2H4F2	1,2-difluoroethane	1Ag	C2H anti
609	C2H4F2	1,2-difluoroethane	1A	C2 gauche
610	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
611	CH2BrCH2Cl	1-bromo-2-chloroethane
612	CH2BrCH2Cl	1-bromo-2-chloroethane
613	CH2BrCH2Br	Ethane, 1,2-dibromo-	1Ag	C2h
614	CH2BrCH2Br	Ethane, 1,2-dibromo-	1A	C2
615	CH2CHCH2F	Allyl Fluoride
616	CH2CHCH2F	Allyl Fluoride
617	CH3CHCHF	trans-1-Fluoro-1-propene
618	CH2FCH2OH	2-fluoroethanol
619	CH2FCH2CH3	1-Fluoropropane
620	C5H4	pentatetraene
621	C5H8	Bicyclo[1.1.1]pentane
622	C4H5N	Pyrrole	1A1	C2v
623	C3O2	Carbon suboxide	1ΣG	D∞h
624	B2O3	diboron trioxide
625	B2O3	diboron trioxide
626	CaCO3	Calcium Carbonate	1A1	C2v
627	CHOOCHO	diformyl ether
628	C3H3NO	Isoxazole	1A'	Cs
629	C3H3NS	Thiazole
630	C4H4Se	selenophene
631	HCOOC2H5	Ethyl formate	1A'	Cs
632	C4H8S	Thiophene, tetrahydro-	1A	C1
633	C4H10O	Methyl propyl ether	1A	C1
634	C4H9SH	1-Butanethiol
635	CF3Cl	Methane, chlorotrifluoro-	1A1	C3v
636	CF2Cl2	difluorodichloromethane	1A1	C2v
637	CF3Br	Bromotrifluoromethane	1A1	C3v
638	GeF4	Germanium tetrafluoride	1A1	Td
639	CBrCl2F	bromodichlorofluoromethane
640	CBr2ClF	dibromochlorofluoromethane
641	CCl3I	trichloroiodomethane
642	CBr4	Carbon tetrabromide	1A1	Td
643	GeBr4	Germanium tetrabromide
644	SF4	Sulfur tetrafluoride	1A1	C2v
645	SeF4	Selenium tetrafluoride
646	SCl4	Sulfur tetrachloride
647	CH2ClCCCl	1,3-dichloropropyne
648	CHCl2CCH	3,3-dichloropropyne
649	CHCl2CHO	dichloroacetaldehyde
650	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A	C1
651	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A'	Cs
652	CH2CClCHCH2	1,3-Butadiene, 2-chloro-
653	CH2FCH2CH2F	1,3-difluoropropane
654	CH3CCl2CH3	Propane, 2,2-dichloro-	1A1	C2v
655	C2H2N2O	Furazan
656	C6H6	Prismane
657	C6H6	Dewar Benzene
658	N3P3	1,3,5,2,4,6-Triazatriphosphorine
659	N2O4	Dinitrogen tetroxide	1Ag	D2d
660	C3H2O3	vinylene carbonate
661	C4H6O2	γ–Butyrolactone	1A	C1
662	C3H6O3	1,3,5-Trioxane	1A1	C1
663	C5H10O	3-Pentanone	1A1	C2v
664	C4F2	difluorobutadiyne
665	C2ClF3	Ethene, chlorotrifluoro-
666	C2Br4	tetrabromoethene
667	SiF5-	silicon pentafluoride anion
668	PF5	Phosphorus pentafluoride	1A1'	D3h
669	IF5	pentafluoroiodine
670	CH2ClCCl3	1,1,1,2-tetrachloroethane
671	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
672	CH(CN)3	tricyanomethane
673	HN=C=C(CN)2	Dicyanoketenimine
674	C6H12O	Oxepane
675	F2CCCF2	tetrafluoroallene
676	SF6	Sulfur Hexafluoride	1A1G	Oh
677	C6H5CHO	benzaldehyde	1A'	Cs
678	C2Cl6	hexachloroethane	1A1g	D3d
679	C3F6	hexafluoropropene
680	C8H18O	1-Octanol
681	C10H10	bullvalene
682	B12H12--	Dodecahydrododecaborate(2-)

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	H2+	Hydrogen cation	h2+
5	H3+	hydrogen trimer cation	h3+
6	He-	Helium atom anion	he-
7	HeH	Helium hydride	heh
8	HeH+	Helium hydride cation	heh+
9	He2+	helium diatomic cation	he2+
10	Li-	Lithium atom anion	li-
11	Li+	Lithium atom cation	li+
12	Na-	Sodium atom anion	na-
13	Na+	Sodium atom cation	na+
14	K-	Potassium atom anion	k-
15	K+	Potassium atom cation	k+
16	Cu-	Copper atom anion	cu-
17	Cu+	Copper atom cation	cu+
18	LiH-	lithium hydride anion	lih-
19	LiH+	lithium hydride cation	lih+
20	NaH-	sodium hydride anion	nah-
21	NaH+	sodium hydride cation	nah+
22	KH	Potassium hydride	kh
23	KH+	Potassium hydrogen cation	kh+
24	CuH	Copper monohydride	cuh
25	Be-	Beryllium atom anion	be-
26	Mg-	Magnesium atom anion	mg-
27	Ca-	Calcium atom anion	ca-
28	Ca+	Calcium atom cation	ca+
29	Zn-	Zinc atom anion	zn-
30	Zn+	Zinc atom cation	zn+
31	BeH-	berylium monohydride anion	beh-
32	BeH+	beryllium monohydride cation	beh+
33	MgH-	magnesium monohydride anion	mgh-
34	MgH+	magnesium monohydride cation	mgh+
35	CaH	Calcium monohydride	cah
36	CaH+	Calcium monohydride cation	cah+
37	TiH	Titanium monohydride	tih
38	ZnH	Zinc monohydride	znh
39	CaH2	Calcium Hydride	cah2
40	ZnH2	Zinc hydride	znh2
41	B-	Boron atom anion	b-
42	Sc	Scandium atom	sc
43	Sc+	Scandium cation	sc+
44	BH-	boron monohydride anion	bh-
45	BH+	boron monohydride cation	bh+
46	AlH-	aluminum monohydride anion	alh-
47	AlH+	aluminum monohydride cation	alh+
48	ScH	Scandium monohydride	sch
49	ScH+	Scandium monohydride cation	sch+
50	BH2-	boron dihydride anion	bh2-
51	BH2+	Boron dihydride cation	bh2+
52	AlH2-	aluminum dihydride anion	alh2-
53	AlH2+	aluminum dihydride cation	alh2+
54	BH3-	boron trihydride anion	bh3-
55	AlH3+	aluminum trihydride cation	alh3+
56	ScH3	Scandium trihydride	sch3
57	GaH3	Gallium trihydride	gah3
58	BH4	borohydride	bh4
59	AlH4-	Aluminum tetrahydride anion	alh4-
60	C-	Carbon atom anion	c-
61	Ti	Titanium atom	ti
62	Ti-	Titanium atom anion	ti-
63	Ti+	Titanium atom cation	ti+
64	Sn	Tin atom	sn
65	Sn+	Tin cation	sn+
66	CH-	methylidyne anion	ch-
67	CH+	Methylidyne cation	ch+
68	SiH-	silicon monohydride anion	sih-
69	SiH+	silicon monohydride cation	sih+
70	GeH+	Germaniun monohyrdide cation	geh+
71	CH2+	methylene cation	ch2+
72	SiH2-	silicon dihydride anion	sih2-
73	SiH2+	silicon dihydride cation	sih2+
74	GeH2-	germylene anion	geh2-
75	CH3-	methyl anion	ch3-
76	CH3+	methyl cation	ch3+
77	SiH3-	Silyl anion	sih3-
78	SiH3+	Silyl cation	sih3+
79	CD4	methane-d4	cd4
80	CH2D2	methane-d2	ch2d2
81	CH3D	methane-d	ch3d
82	CH4-	Methane anion	ch4-
83	CH4+	Methane cation	ch4+
84	CHD3	methane-d3	chd3
85	SiH4+	Silane cation	sih4+
86	GeH4	Germane	geh4
87	SnH4	Stannane	snh4
88	N-	Nitrogen atom anion	n-
89	P-	Phosphorus atom anion	p-
90	P+	Phosphorus atom cation	p+
91	V	Vanadium atom	v
92	V+	Vanadium atom cation	v+
93	Sb	Antimony atom	sb
94	NH-	Imidogen anion	nh-
95	NH+	imidogen cation	nh+
96	PH-	phosphorus monohydride anion	ph-
97	PH+	phosphorus monohydride cation	ph+
98	AsH+	Arsenic monohydride cation	ash+
99	SbH	Antimony monohydride	sbh
100	NH2-	amino anion	nh2-
101	PH2-	Phosphino anion	ph2-
102	PH2+	Phosphino cation	ph2+
103	AsH2+	Arsenic dihydride cation	ash2+
104	NH3-	Ammonia anion	nh3-
105	NH3+	ammonia cation	nh3+
106	SbH3	Stibine	sbh3
107	NH4+	ammonium cation	nh4+
108	PH4+	phosphonium cation	ph4+
109	O-	Oxygen atom anion	o-
110	S-	Sulfur atom anion	s-
111	S+	Sulfur atom cation	s+
112	Cr	Chromium atom	cr
113	Te	Tellurium atom	te
114	Te+	Tellurium atom cation	te+
115	OH-	hydroxide anion	oh-
116	HS-	mercapto anion	sh-
117	CrH	Chromium hydride	crh
118	CrH+	Chromium hydride cation	crh+
119	TeH	Telluryl radical	teh
120	H2S-	Hydrogen sulfide anion	h2s-
121	H2S+	Hydrogen sulfide cation	h2s+
122	H2Te	Hydrogen Telluride	h2te
123	H3O+	hydronium cation	h3o+
124	F-	Fluorine atom anion	f-
125	Cl-	Chlorine atom anion	cl-
126	Mn	Manganese atom	mn
127	I-	Iodine atom anion	iodine-
128	I+	Iodine atom cation	iodine+
129	HI	Hydrogen iodide	hi
130	H2F+	dihydrogen fluoride cation	h2f+
131	H2Cl+	dihydrogen monochloride cation	h2cl+
132	Ne-	Neon atom anion	ne-
133	Ar-	Argon atom anion	ar-
134	Ar+	Argon atom cation	ar+
135	Fe	Iron atom	fe
136	Xe	Xenon atom	xe
137	NeH	neon hydrogen	neh
138	NeH+	neon hydrogen cation	neh+
139	KrH+	Protonated Krypton	krh+
140	XeH+	Xenon, protonated	xeh+
141	H2Ar	H2 Ar dimer	h2ar
142	Co	Cobalt atom	cobalt
143	Ni	Nickel atom	ni
144	Li2-	lithium diatomic anion	li2-
145	Li2+	lithium diatomic cation	li2+
146	NaLi-	lithium sodium anion	lina-
147	NaLi+	lithium sodium cation	lina+
148	LiK	Lithium Potassium	lik
149	Na2+	sodium diatomic cation	na2+
150	NaK	Sodium Potassium	nak
151	NaK+	Sodium Potassium diatomic cation	nak+
152	Cu2	Copper diatomic	cu2
153	LiBe	Lithium Beryllium	libe
154	LiMg	Lithium magnesium	limg
155	NaBe	Sodium Beryllium	nabe
156	NaMg	Sodium Magnesium	namg
157	Be2	Beryllium diatomic	be2
158	Be2-	Beryllium diatomic anion	be2-
159	Be2+	Beryllium diatomic cation	be2+
160	BeMg	Beryllium Magnesium	bemg
161	Mg2-	magnesium diatomic anion	mg2-
162	Mg2+	magnesium diatomic cation	mg2+
163	Ca2	Calcium diatomic	ca2
164	LiB	Lithium boride	lib
165	NaAl	Sodium aluminum	naal
166	BeB	Beryllium monoboride	beb
167	B2	Boron diatomic	b2
168	B2-	Boron diatomic anion	b2-
169	B2+	Boron diatomic cation	b2+
170	BAl	Boron Aluminum	bal
171	Al2-	aluminum diatomic anion	al2-
172	Al2+	aluminum diatomic cation	al2+
173	BGa	Boron Gallium	bga
174	AlGa	Aluminum Gallium	alga
175	Ga2	Gallium diatomic	ga2
176	LiBH4	Lithium borohydride	libh4
177	B2H4	Diborane(4) D2d	b2h4
178	HBHHBH	Diborane(4) C2V	hbhhbh
179	B2H6	Diborane	b2h6
180	Al2H6	dialane	al2h6
181	Ga2H6	digallane	ga2h6
182	LiC	Lithium Carbide	lic
183	BeC	Beryllium Carbide	bec
184	BC	boron monocarbide	bc
185	BC-	boron monocarbide anion	bc-
186	BC+	boron monocarbide cation	bc+
187	AlC	Aluminum carbide	alc
188	BSi	Boron silicide	bsi
189	C2-	carbon diatomic anion	c2-
190	C2+	carbon diatomic cation	c2+
191	SiC	silicon monocarbide	sic
192	SiC-	silicon monocarbide anion	sic-
193	SiC+	silicon monocarbide cation	sic+
194	Si2-	silcon diatomic anion	si2-
195	Si2+	silcon diatomic cation	si2+
196	Ge2	Germanium diatomic	ge2
197	C2H-	Ethynyl anion	c2h-
198	C2H+	Ethynyl cation	c2h+
199	ZnCH2	Zinc methylene	znch2
200	CCH2	vinylidene	vinylidene
201	ZnCH3	Zinc monomethyl	znch3
202	CH2BH	methyleneborane	ch2bh
203	C2H3-	vinyl anion	c2h3-
204	C2H4-	Ethylene anion	c2h4-
205	C2H4+	Ethylene cation	c2h4+
206	CH3CH	methylmethylene	ch3ch
207	CH2SiH2	silaethylene	ch2sih2
208	CH3BH2	methylborane	ch3bh2
209	C2H5-	Ethyl anion	c2h5-
210	C2H5+	Ethyl cation	c2h5+
211	C2H6+	ethane cation	c2h6+
212	GeH3CH3	methyl germane	geh3ch3
213	C2H7+	Ethane, protonated	c2h7+
214	LiN+	Lithium Nitride cation	lin+
215	BeN	Beryllium mononitride	ben
216	BeN-	Beryllium mononitride anion	ben-
217	BeN+	Beryllium mononitride cation	ben+
218	BN-	boron nitride anion	bn-
219	AlN-	aluminum mononitride anion	aln-
220	AlN+	aluminum mononitride cation	aln+
221	BP	Boron monophosphide	bp
222	AlP	Aluminum monophosphide	alp
223	GaN	Gallium mononitride	gan
224	GaP	Gallium monophosphide	gap
225	BN	boron nitride	bn
226	BN+	boron nitride cation	bn+
227	AlN	Aluminum nitride	aln
228	CN-	cyanide anion	cn-
229	CN+	Cyano cation	cn+
230	CP-	carbon monophosphide anion	cp-
231	CP+	carbon monophosphide cation	cp+
232	SiN	Silicon nitride	sin
233	SiN-	silicon mononitride anion	sin-
234	SiN+	silicon mononitride cation	sin+
235	SiP-	Silicon monophosphide anion	sip-
236	SiP+	Silicon monophosphide cation	sip+
237	TiN	Titanium mononitride	tin
238	N2-	nitrogen diatomic anion	n2-
239	N2+	diatomic nitrogen cation	n2+
240	PN-	phosphorus nitride anion	pn-
241	PN+	phosphorus nitride cation	pn+
242	P2-	phosphorus diatomic anion	p2-
243	P2+	phosphorus diatomic cation	p2+
244	AsN	Arsenic mononitride	asn
245	AsP	Arsenic monophosphide	asp
246	SbN	Antimony nitride	sbn
247	As2	Arsenic diatomic	as2
248	HNB	hydrogen nitrogen boron	hnb
249	HNC	hydrogen isocyanide	hnc
250	HCN-	Hydrogen cyanide anion	hcn-
251	NNH	Dinitrogen monohydride	nnh
252	HPO+	Hydrogen phosphorus oxide cation	hpo+
253	HBNH	Boranimine	hbnh
254	CNH2	Aminomethylidyne radical	cnh2
255	CNH2+	N-protonated hydrogen isocyanide	cnh2+
256	H2CN	Dihydrogen cyanide radical	h2cn
257	H2CN+	hydrocyanonium cation	h2cn+
258	HCNH	methyleneazane	hcnh
259	HCNH+	N-protonated HCN	hcnh+
260	N2H2	(Z)-Diazene	n2h2z
261	N2H2+	trans-diazene cation	n2h2+
262	CH2NH2+	methyleneamine cation	ch2nh2+
263	N2H4+	hydrazine cation	n2h4+
264	CH3NH2+	methyl amine cation	ch3nh2+
265	N2H5+	protonated hydrazine	n2h5+
266	BH3NH3	borane ammonia	bh3nh3
267	CH3NH3	methyl ammonium radical	ch3nh3
268	CH3NH3+	protonated methylamine	ch3nh3+
269	CH3PH3+	methyl phosphine, protonated	ch3ph3+
270	NH3NH3	Ammonia Dimer	nh3nh3
271	LiO-	lithium oxide anion	lio-
272	LiO+	lithium oxide cation	lio+
273	LiS	Lithium monosulfide	lis
274	LiS+	Lithium sulfide cation	lis+
275	NaO-	sodium oxide anion	nao-
276	NaO+	sodium oxide cation	nao+
277	KO	Potassium monoxide	ko
278	KO+	Potassium monoxide cation	ko+
279	NaS	Sodium sulfide	nas
280	BeO-	Beryllium monoxide anion	beo-
281	BeO+	Beryllium monoxide cation	beo+
282	MgO-	magnesium oxide anion	mgo-
283	MgO+	magnesium oxide cation	mgo+
284	MgS-	magnesium sulfide anion	mgs-
285	MgS+	magnesium sulfide cation	mgs+
286	CaS	Calcium sulfide	cas
287	ZnO	zinc monoxide	zno
288	ZnS	Zinc sulfide	zns
289	BeS-	Beryllium monosulfide anion	bes-
290	BeS+	Beryllium monosulfide cation	bes+
291	BO-	boron monoxide anion	bo-
292	AlO	Aluminum monoxide	alo
293	AlO-	Aluminum monoxide anion	alo-
294	AlO+	aluminum monoxide cation	alo+
295	BS-	boron monosulfide anion	bs-
296	BS+	boron monosulfide cation	bs+
297	AlS-	aluminum monosulfide anion	als-
298	AlS+	aluminum monosulfide cation	als+
299	ScO	Scandium monoxide	sco
300	BO+	boron monoxide cation	bo+
301	CO-	carbon monoxide anion	co-
302	CS-	carbon monosulfide anion	cs-
303	CS+	carbon monosulfide cation	cs+
304	SiO-	silicon monoxide anion	sio-
305	SiO+	silicon monoxide cation	sio+
306	SiS-	silicon monosulfide anion	sis-
307	SiS+	silicon monosulfide cation	sis+
308	TiO	Titanium monoxide	tio
309	CSe-	Carbon monoselenide anion	cse-
310	CSe+	Carbon monoselenide cation	cse+
311	GeO+	Germanium monoxide cation	geo+
312	GeS	Germanium monosulfide	ges
313	NO+	nitric oxide cation	no+
314	NS-	nitrogen sulfide anion	ns-
315	NS+	nitrogen sulfide cation	ns+
316	PO-	phosphorus monoxide anion	po-
317	PO+	phosphorus monoxide cation	po+
318	PS-	phosphorus monosulfide anion	ps-
319	PS+	phosphorus monosulfide cation	ps+
320	VO	Vanadium monoxide	vo
321	AsO	Arsenic monoxide	aso
322	NSe	Nitrogen monoselenide	nse
323	AsS	Arsenic monosulfide	ass
324	PSe	Phosphorus monoselenide	pse
325	AsSe	Arsenic monoselenide	asse
326	O2-	oxygen diatomic anion	o2-
327	O2+	diatomic oxygen cation	o2+
328	SO-	sulfur monoxide anion	so-
329	S2-	sulfur diatomic anion	s2-
330	S2+	sulfur diatomic cation	s2+
331	SeO-	selenium monoxide anion	seo-
332	SeO+	selenium monoxide cation	seo+
333	SeS-	selenium monosulfide anion	ses-
334	SeS+	selenium monosulfide cation	ses+
335	TeO	Tellurium monoxide	teo
336	Se2-	selenium diatomic anion	se2-
337	Se2+	selenium diatomic cation	se2+
338	Te2	Tellurium diatomic	te2
339	KOH	Potassium hydroxide	koh
340	COH+	Carbon Monoxide, protonated	coh+
341	HCO-	formyl anion	hco-
342	HCS	Thioformyl radical	hcs
343	HCS-	Thioformyl anion	hcs-
344	HCS+	Thioformyl cation	hcs+
345	HNO-	Nitrosyl hydride anion	hno-
346	NOH	Hydroxyimidogen	noh
347	NOH+	O-protonated nitric oxide	noh+
348	HNS	Sulfur imide	hns
349	HNS-	Sulfur imide anion	hns-
350	HO2-	Hydroperoxy anion	ho2-
351	HO2+	Hydroperoxy cation	ho2+
352	HS2	Thiosulfeno radical	hs2
353	HOCH	hydroxycarbene	hoch
354	H2CS+	thioformaldehyde cation	h2cs+
355	H2NO	nitroxide	h2no
356	H2O2+	Hydrogen peroxide cation	h2o2+
357	H2S2+	hydrogen disulfide cation	h2s2+
358	CH2OH+	hydroxymethyl cation	ch2oh+
359	CH3O	Methoxy radical	ch3o
360	CH3O-	methoxy anion	ch3o-
361	CH3O+	Methoxy cation	ch3o+
362	CH3S	thiomethoxy	ch3s
363	H2CSH+	Thioformaldehyde, protonated	h2csh+
364	NH3O	Ammonia Oxide	nh3o
365	H2POH	Phosphinous acid	h2poh
366	H3PO	Phosphine oxide	h3po
367	H3O2+	hydrogen peroxide, protonated	h3o2+
368	CH3OH-	Methyl alcohol anion	ch3oh-
369	CH3SH+	Methanethiol cation	ch3sh+
370	CH3SeH	Methane selenol	ch3seh
371	H2OH2O	water dimer	h2oh2o
372	CH3OH2+	Methanol, protonated	ch3oh2+
373	CH3SH2+	protonated methylsulfide	ch3sh2+
374	H2ONH3	Water Ammonia Dimer	h2onh3
375	H5O2+	Dihydroxonium ion	h5o2+
376	LiCl-	lithium chloride anion	licl-
377	LiCl+	lithium chloride cation	licl+
378	NaF-	sodium fluoride anion	naf-
379	KF	Potassium Fluoride	kf
380	NaCl-	sodium chloride anion	nacl-
381	NaCl+	sodium chloride cation	nacl+
382	KCl	Potassium Chloride	kcl
383	LiBr-	lithium bromide anion	libr-
384	LiBr+	lithium bromide cation	libr+
385	NaBr-	sodium bromide anion	nabr-
386	NaBr+	sodium bromide cation	nabr+
387	KBr	Potassium Bromide	kbr
388	KI	Potassium Iodide	ki
389	LiF-	lithium fluoride anion	lif-
390	BeF-	Beryllium monofluoride anion	bef-
391	BeF+	Beryllium monofluoride cation	bef+
392	MgF-	magnesium fluoride anion	mgf-
393	MgF+	magnesium fluoride cation	mgf+
394	CaF	Calcium monofluoride	caf
395	MgCl-	magnesium monochloride anion	mgcl-
396	MgCl+	magnesium monochloride cation	mgcl+
397	CaCl	calcium monochloride	cacl
398	TiCl	Titanium Monochloride	ticl
399	ZnF	Zinc monofluoride	znf
400	ZnF-	Zinc monofluoride anion	znf-
401	ZnF+	Zinc monofluoride cation	znf+
402	ZnCl	Zinc monochloride	zncl
403	BeCl-	beryllium monochloride anion	becl-
404	BeCl+	beryllium monochloride cation	becl+
405	BF-	Boron monofluoride anion	bf-
406	BF+	Boron monofluoride cation	bf+
407	AlF-	Aluminum monofluoride anion	alf-
408	AlF+	Aluminum monofluoride cation	alf+
409	BCl-	boron monochloride anion	bcl-
410	BCl+	boron monochloride cation	bcl+
411	AlCl	Aluminum monochloride	alcl
412	AlCl-	aluminum monochloride anion	alcl-
413	AlCl+	aluminum monochloride cation	alcl+
414	ScF	Scandium monofluoride	scf
415	BBr	Boron monobromide	bbr
416	GaF+	Gallium monofluoride cation	gaf+
417	GaCl+	Gallium monochloride cation	gacl+
418	AlI	Aluminum monoiodide	ali
419	CF-	carbon monofluoride anion	cf-
420	CF+	carbon monofluoride cation	cf+
421	CCl-	carbon monochloride anion	ccl-
422	CCl+	carbon monochloride cation	ccl+
423	SiF-	silicon monofluoride anion	sif-
424	SiF+	silicon monofluoride cation	sif+
425	SiCl-	silicon monochloride anion	sicl-
426	SiCl+	silicon monochloride cation	sicl+
427	CBr	Carbon monobromide	cbr
428	GeF+	Germanium monofluoride cation	gef+
429	NF-	nitrogen monofluorine anion	nf-
430	NF+	nitrogen monofluoirde cation	nf+
431	NCl-	nitrogen monochloride anion	ncl-
432	NCl+	nitrogen monochloride cation	ncl+
433	PF-	phosphorus monofluoride anion	pf-
434	PF+	phosphorus monofluoride cation	pf+
435	PCl-	phosphorus monochloride anion	pcl-
436	PCl+	phosphorus monochloride cation	pcl+
437	AsF	Arsenic monofluoride	asf
438	NBr	nitrogen monobromide	nbr
439	AsCl	Arsenic monochloride	ascl
440	SbF	Antimony monofluoride	sbf
441	SbCl	Antimony monochloride	sbcl
442	FO-	flourine oxide anion	fo-
443	FO+	fluorine monoxide cation	fo+
444	ClO-	chlorine monoxide anion	clo-
445	SF-	sulfur monofluoride anion	sf-
446	SCl-	sulfur monochloride anion	scl-
447	BrO-	Bromine monoxide anion	bro-
448	SeF	Selenium monofluoride	sef
449	SeCl	Selenium monochloride	secl
450	IO	Iodine monoxide	io
451	F2-	flourine diatomic anion	f2-
452	ClF-	clorine monofluoride anion	clf-
453	Cl2-	chlorine diatomic anion	cl2-
454	BrF-	bromine fluoride anion	brf-
455	BrF+	bromine fluoride cation	brf+
456	BrCl-	bromine chloride anion	brcl-
457	BrCl+	bromine chloride cation	brcl+
458	I2	Iodine diatomic	i2
459	HCCl	Chloromethylene	hccl
460	CHBr	bromomethylene	chbr
461	HOBr	Hypobromous acid	hobr
462	HOBr+	Hypobromous acid cation	hobr+
463	HOI	Hypoiodous acid	hoi
464	F2H+	Fluorine, protonated	f2h+
465	FHF	Hydrogen difluoride	fhf
466	FHF-	Hydrogen difluoride anion	fhf-
467	Cl2H+	Chlorine, protonated	cl2h+
468	CH2F	fluoromethyl radical	ch2f
469	NH2F	monofluoroamine	nh2f
470	H2F2	Hydrogen fluoride dimer	h2f2
471	CD3F	methylfluoride-d3	cd3f
472	CD3Cl	methyl chloride d3	cd3cl
473	SiH3Br	bromosilane	sih3br
474	CH3I	methyl iodide	ch3i
475	SiH3I	Silyl Iodide	sih3i
476	Ne2	Neon diatomic	ne2
477	Ne2+	Neon diatomic cation	ne2+
478	Ar2+	Argon diatomic cation	ar2+
479	Li3	Lithium trimer	li3
480	Li3+	Lithium trimer cation	li3+
481	C3+	carbon trimer cation	c3+
482	C3H3	cyclopropenyl radical	cpr
483	C3H3	Propargyl radical	propargyl
484	C3H3-	Propargyl anion	c3h3-
485	C3H3+	cyclopropenyl cation	cpr+
486	C3H3+	Propargyl cation	c3h3+
487	C3H5+	Allyl cation	allyl+
488	CH3CHCH	1-propenyl radical	ch3chch
489	Zn(CH3)2	dimethyl zinc	dmz
490	C3H7+	cyclopropane, protonated	c3h7+
491	CH3CHCH3	Isopropyl radical	isopropyl
492	CH3CHCH3+	Isopropyl cation	prop2yl+
493	C3H8	Propane	propane
494	SiH2(CH3)2	dimethylsilane	dms
495	LiCN	lithium cyanide	licn
496	NaCN	Sodium Cyanide	nacn
497	KCN	Potassium cyanide	kcn
498	CuCN	Copper cyanide	cucn
499	ZnCN	Zinc monocyanide	zncn
500	ZnNC	Zinc isocyanide	znnc
501	CN2	3H-Diazirin-3-ylidene	cn2
502	NCN	Cyanoimidogen	ncn
503	N3	azide radical	n3
504	N3-	azide anion	n3-
505	N3+	azide cation	n3+
506	HCCN	cyanomethylene	hccn
507	HCNN	diazomethyl radical	hcnn
508	CH2N2	diazirine	ch2n2
509	CH2NN	diazomethane	ch2nn
510	NH2CN	cyanamide	cyanamide
511	CH3CN+	Acetonitrile cation	ch3cn+
512	CH3NC	methyl isocyanide	ch3nc
513	HNCNH2+	diiminomethane, protonated	hncnh2+
514	NCNH3+	Cyanamide, protonated	ncnh3+
515	CH2CHNH	vinylazine	ch2chnh
516	CH3CHN	methylmethaniminyl radical	ch3chn
517	NHCHNH2	aminomethanimine	cn2h4
518	C2H5N	Aziridine	c2h5n
519	CH2CHNH2	aminoethene	aminoethene
520	CH2NCH3	N-methylmethanimine	nmm
521	CH3CHNH	ethanimine	ethanimine
522	NH2BHNH2	diaminoborane	nh2bhnh2
523	C2H5NH+	Protonated Aziridine	c2h5nh+
524	C2H6N+	aziridine, protonated	c2h6n+
525	NH2CH2NH2	diaminomethane	nh2ch2nh2
526	CH3NHCH3	Dimethylamine	ch3nhch3
527	CH3PHCH3	dimethylphosphine	ch3phch3
528	NH2CH2NH3+	diaminoethane, protonated	pdam
529	(CH3)2NH2+	dimethylammonium cation	dmam
530	CH3CH2NH3+	ethylamine, protonated	pea
531	Li2O	dilithium oxide	li2o
532	Li2O+	dilithium oxide cation	li2o+
533	Li2S	dilithium sulfide	li2s
534	Na2O	disodium monoxide	na2o
535	CNO-	fulminate	cno-
536	NCO-	cyanate	nco-
537	SCN	thiocyanato radical	scn
538	SCN-	thiocyanide anion	scn-
539	BO2	Boron dioxide	bo2
540	BO2-	Boron dioxide anion	bo2-
541	BO2+	Boron dioxide cation	bo2+
542	N2O-	Nitrous oxide anion	n2o-
543	N2O+	Nitrous oxide cation	n2o+
544	NNS	Nitrogen sulfide	nns
545	PPO	Phosphorus oxide phosphide	ppo
546	CO2-	Carbon dioxide anion	co2-
547	CO2+	Carbon dioxide cation	co2+
548	OCS+	Carbonyl sulfide cation	cos+
549	SiO2	silicon dioxide	sio2
550	CS2-	Carbon disulfide anion	cs2-
551	CS2+	Carbon disulfide cation	cs2+
552	TiO2	Titanium dioxide	tio2
553	SiS2	Silicon disulfide	sis2
554	GeS2	Germanium disulfide	ges2
555	CSe2	Carbon diselenide	cse2
556	SCTe	Carbon sulfide Telluride	scte
557	NO2	Nitrogen dioxide	no2
558	NO2-	Nitrogen dioxide anion	no2-
559	NO2+	Nitrogen dioxide cation	no2+
560	PO2	Phosphorus dioxide	po2
561	PO2-	Phosphorus dioxide anion	po2-
562	PO2+	Phosphorus dioxide cation	po2+
563	AsO2	Aresenic dioxide	aso2
564	O3-	Ozone anion	o3-
565	O3+	Ozone cation	o3+
566	SO2-	Sulfur dioxide anion	so2-
567	SO2+	Sulfur dioxide cation	so2+
568	S3-	Sulfur trimer anion	s3-
569	S3+	Sulfur trimer cation	s3+
570	SeO2+	Selenium dioxide cation	seo2+
571	TeO2	Tellurium Dioxide	teo2
572	CS2H+	Carbon disulfide, protonated	cs2h+
573	HNCO	Isocyanic acid	hnco
574	HOCN	cyanic acid	hocn
575	HCO2-	formate anion	hco2-
576	HNNO	nitrosoazane	hnno
577	HNNO+	Nitrous oxide, N-protonated	hnno+
578	NNOH+	Nitrous Oxide, O-protonated	nnoh+
579	HCOO	formate neutral radical	hcoo
580	HOCO+	Hydrocarboxyl cation	hoco+
581	HNO2	Nitrous acid	hno2
582	HNO2+	nitrous acid cation	hno2+
583	SO2H+	protonated sulfur dioxide	so2h+
584	CH2CO+	Ketene cation	ch2co+
585	HCCOH	ethynol	hccoh
586	Mg(OH)2	Magnesium dihydroxide	h2mgo2
587	NH2NO	Nitrosamide	nh2no
588	CH2O2	Dioxirane	diox
589	H2COO	Dioxymethyl radical	h2coo
590	H2COO+	dioxymethyl cation	h2coo+
591	H2O3	Hydrogen trioxide	h2o3
592	HSSSH	trisulfane	hsssh
593	NaOCH3	Sodium methoxide	naoch3
594	CH2BOH	hydroxy(methylene)borane	ch2boh
595	CH3BO	Borane, methyloxo-	ch3bo
596	CH2CHO	Vinyloxy radical	ch2cho
597	CH2COH+	ketene, protonated	ch2coh+
598	CH3CO-	Acetyl anion	ch3co-
599	CH3CO+	acetyl cation	ch3co+
600	CH2NOH	formaldoxime	ch2noh
601	CH3NO	nitrosomethane	ch3no
602	CHONH2	formamide	formamide
603	CNOH3	1,2-oxaziridine	cnoh3
604	HOCHNH	hydroxymethylimine	hochnh
605	CH2OOH	CH2OOH radical	ch2ooh
606	CH3OO	methylperoxy radical	ch3oo
607	CH3OO-	methylperoxy anion	ch3oo-
608	CH3OO+	methylperoxy cation	ch3oo+
609	CH2CHOH	ethenol	ch2choh
610	H2CONH2+	protonated formamide	h2conh2+
611	NH3CHO+	Formamide, N-Protonated	nh3cho+
612	CH2(OH)2	methanediol	ch2o2h2
613	CH3OOH	Methyl peroxide	ch3ooh
614	H2OH2CO	water formaldehyde dimer	h2oh2co
615	C2H4OH+	ethylene oxide, protonated	c2h4oh+
616	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
617	CH3CH2O	Ethoxy radical	ethoxy
618	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
619	CH3CHOH+	acetaldehyde, protonated	ch3choh+
620	CH3OCH2	methoxymethyl radical	ch3och2
621	CH3CH2OH	Ethanol	etoh
622	CH3OCH3	Dimethyl ether	meome
623	CH3SeCH3	dimethylselenide	dmse
624	CH3OHH2O	methanol water dimer	ch3ohh2o
625	H2OCH3OH	water methanol dimer	h2och3oh
626	CuF2	Copper difluoride	cuf2
627	ZnF2	Zinc difluoride	znf2
628	CNF	iso cyanogen fluoride	cnf
629	FCN	Cyanogen fluoride	fcn
630	ClCN	chlorocyanogen	clcn
631	BeF2	Beryllium fluoride	bef2
632	MgF2	Magnesium fluoride	mgf2
633	BeCl2	Beryllium chloride	becl2
634	MgCl2	Magnesium dichloride	mgcl2
635	CaCl2	Calcium Chloride	cacl2
636	ZnCl2	Zinc dichloride	zncl2
637	FCO	Carbonyl fluoride	fco
638	FCO+	Carbonyl fluoride cation	fco+
639	ClCO	carbonyl monochloride	clco
640	BF2	Boron difluoride radical	bf2
641	FNS	Thionitrosyl fluoride	fns
642	FSN	Thiazyl fluoride	fsn
643	BrNO	Nitrosyl bromide	brno
644	INO	Nitrosyl iodide	ino
645	CF2-	Difluoromethylene anion	cf2-
646	CF2+	Difluoromethylene cation	cf2+
647	CFCl	chlorofluoromethylene	cfcl
648	SiF2+	Silicon difluoride cation	sif2+
649	CCl2	dichloromethylene	ccl2
650	CCl2-	dichloromethylene anion	ccl2-
651	CCl2+	dichloromethylene cation	ccl2+
652	SiCl2	Dichlorosilylene	sicl2
653	GeF2	Germanium difluoride	gef2
654	CBr2	dibromomethylene	cbr2
655	FOO	Dioxygen monofluoride radical	foo
656	ClOO	chloroperoxy radical	cloo
657	ClOO+	chloroperoxy cation	cloo+
658	OClO+	Chlorine dioxide cation	oclo+
659	ClSO	Sulfur chloride oxide	clso
660	ClS2	Sulfur chloride	cls2
661	OBrO	Bromine dioxide radical	obro
662	NF2	Difluoroamino radical	nf2
663	NF2+	Difluoroamino cation	nf2+
664	FClO	chlorosyl fluoride	fclo
665	F2O	Difluorine monoxide	f2o
666	ClOF	Chlorine hypofluorite	clof
667	SF2-	sulfur difluoride anion	sf2-
668	SF2+	sulfur difluoride cation	sf2+
669	Cl2O	Dichlorine monoxide	cl2o
670	SCl2	Sulfur dichloride	scl2
671	BrOCl	Bromine hypochlorite	brocl
672	BrOBr	Bromine oxide	brobr
673	F3-	trifluoride anion	f3-
674	Cl3-	trichloride anion	cl3-
675	I3-	triiodide	i3-
676	HCCF+	fluoroacetylene cation	hccf+
677	HCCCl	Chloroacetylene	hcccl
678	HCCBr	bromoacetylene	hccbr
679	HFCO	formyl fluoride	hfco
680	HFCO+	formyl fluoride cation	hfco+
681	COHCl	Formyl chloride	cohcl
682	COHBr	Formyl bromide	cohbr
683	BHF2	Difluoroborane	bhf2
684	BHCl2	Borane, dichloro-	bhcl2
685	CHCl2	dichloromethyl radical	chcl2
686	HOClO	Chlorous acid	hoclo
687	CH2FCl	fluorochloromethane	ch2fcl
688	CH2BrF	Methane, bromofluoro-	ch2fbr
689	CH2ClI	chloroiodomethane	ch2cli
690	CH2BrI	bromoiodomethane	ch2bri
691	SiH2Cl2	dichlorosilane	sih2cl2
692	CH2CHF+	fluoroethene cation	ch2chf+
693	C2H3Cl	Ethene, chloro-	ch2chcl
694	C2H3Br	vinyl bromide	c2h3br
695	C2H3I	Vinyl iodide	c2h3i
696	CH3OCl	methyl hypochlorite	ch3ocl
697	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
698	CHClCH3	1-chloroethyl radical	chclch3
699	C2H5F	fluoroethane	c2h5f
700	CH3CH2Cl	Ethyl chloride	c2h5cl
701	CH3SiFH2	fluoromethylsilane	ch3sifh2
702	KrF2	Krypton difluoride	krf2
703	XeF2	Xenon difluoride	xef2
704	B4H10	Tetraborane(10)	b4h10
705	C4+	Carbon tetramer cation	c4+
706	C4H2	Diacetylene	c4h2
707	C2H3CCH	1-Buten-3-yne	c2h3cch
708	C4H4	cyclobutadiene	cbd
709	H2CCCCH2	Butatriene	h2cccch2
710	C4H6	Cyclobutene	c822355
711	C4H6	Methylenecyclopropane	c6142730
712	CH2CCHCH3	1,2-Butadiene	butad12
713	CH2CHCHCH2	1,3-Butadiene	c106990
714	CH3CCCH3	2-Butyne	c503173
715	CHCCH2CH3	1-Butyne	c107006
716	CH3CHCHCH2	methylallyl radical	c4h7
717	C4H8	methylcyclopropane	mcp
718	CH2C(CH3)CH3	1-Propene, 2-methyl-	isobute
719	CH3CHCHCH3	2-Butene, (E)-	bute2e
720	CH3CHCHCH3	2-Butene, (Z)-	bute2z
721	B(CH3)3	trimethylborane	bme3
722	Al(CH3)3	trimethyl aluminum	tma
723	C(CH3)3	Tert-butyl radical	tbutyl
724	CH2CH(CH3)2	Isobutyl radical	isobutyl
725	CH3CHCH2CH3	2-Butyl radical	butyl2
726	CH3CH(CH3)CH3	Isobutane	isobutane
727	CH3CH2CH2CH3	Butane	butane
728	SiH(CH3)3	trimethylsilane	trimsi
729	Li3N	trilithium nitride	li3n
730	C2N2	Cyanogen	c2n2
731	C2N2+	Cyanogen cation	c2n2+
732	P4	Phosphorus tetramer	p4
733	HCCCN	Cyanoacetylene	hcccn
734	HCCCN+	Cyanoacetylene cation	hcccn+
735	C3H3N	acrylonitrile	ch2chcn
736	C3H3N+	acrylonitrile cation	ch2chcn+
737	CH3N3	methyl azide	ch3n3
738	NH2CCNH2	Diaminoacetylene	daa
739	NH2CH2CN	Aminoacetonitrile	aan
740	CH3NHN2+	methyl azide, protonated	ch3nhn2+
741	CH5N3	Guanidine	guanidine
742	C4H6	Bicyclo[1.1.0]butane	c157335
743	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
744	CH6N3+	guanidinium	ch6n3+
745	C3H7N	Cyclopropylamine	cpram
746	CH7N3	triaminomethane	tam
747	C3H7N	Azetidine	azet
748	C4H8	cyclobutane	cbutane
749	C2H8N2	Ethylenediamine	ethdiam
750	CH3NHNHCH3	dimethyl hydrazine	dmh
751	CH3CH(NH2)CH3	2-Propanamine	pram2
752	N(CH3)3	Trimethylamine	trimeam
753	NH2CH2CH2CH3	1-Propanamine	pram1
754	P(CH3)3	trimethylphosphine	tmp
755	(CH3)3NH+	protonated trimethyl amine	ptma
756	C3H7NH3+	n-propylamine, protonated	c3h7nh2
757	Li2O2	dilithium dioxide	li2o2
758	C3O	Tricarbon monoxide	c3o
759	B2O2	Diboron dioxide	b2o2
760	S2N2	Disulfur dinitride	s2n2
761	CO3	Carbon trioxide	co3
762	CO3--	carbonate	co3--
763	NO3	Nitrogen trioxide	no3
764	NO3-	nitrate anion	no3-
765	NO3+	nitrogen trioxide cation	no3+
766	SO3-	Sulfur trioxide anion	so3-
767	SO3+	Sulfur trioxide cation	so3+
768	SeO3	selenium trioxide	seo3
769	TeO3	Tellurium trioxide	teo3
770	HCO3-	bicarbonate anion	hco3-
771	HSO3	Hydroxysulfonyl radical	hso3
772	NH2NO2	nitramide	nh2no2
773	C2H2CO	cyclopropenone	c2h2co
774	HCCCHO	2-propynal	hcccho
775	C2H2O2+	Ethanedial cation	c2h2o2+
776	H2CO3	Carbonic acid	h2co3
777	H2CS3	thiocarbonic acid	h2cs3
778	H2NO3+	Nitric Acid, Protonated	h2no3+
779	H2SO3	Sulfurous acid	h2so3
780	C2H3NO	Nitrosoethylene	c2h3no
781	CH3COO-	acetate anion	ch3coo-
782	CH3ONO	Methyl nitrite	ch3ono
783	NH2COOH	Carbamic acid	nh2cooh
784	H3BO3	Boric acid	h3bo3
785	H3CO3+	carbonic acid, protonated	h3co3+
786	C3H4O	2-Propyn-1-ol	c107197
787	C3H4O	allenol	c9000071
788	C3H4O	Cyclopropanone	cpone
789	C3H4O	Methylketene	c6004440
790	NH2CONH2	Urea	urea
791	NH2CONH2+	Urea cation	urea+
792	NH2CSNH2	Thiourea	thiourea
793	C2H4O2	1,3-dioxetane	c2h4o2
794	CH3COOH	Acetic acid	ch3cooh
795	CH3OCHO	methyl formate	ch3ocho
796	CHOCH2OH	hydroxy acetaldehyde	haa
797	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
798	NH3COOH+	protonated Carbamic acid	nh3cooh+
799	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
800	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
801	HCOOHH2O	Formic acid water dimer	hcoohh2o
802	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
803	CH3COCH2	Acetonyl radical	ch3coch2
804	CH3CHNOH	Acetaldoxime	acetaldoxime
805	CH3CONH2	Acetamide	acetamide
806	HCONHCH3	N-methylformamide	nmfa
807	CH5N2O+	urea, N-protonated	ch4n2o+
808	H2NCOHNH2+	urea, protonated	ureah+
809	C2H5OO	ethylperoxy radical	c2h5oo
810	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
811	C3H5OH	Cyclopropanol	cproh
812	C3H6O	2-Propen-1-ol	c107186
813	C3H6O	Acetone enol	enol
814	C3H6O	Oxetane	oxetane
815	C3H6O	Propylene oxide	prox
816	CH3COCH3	Acetone	acetone
817	CH3COCH3-	acetone anion	ch3coch3-
818	C3H6S	Thietane	thietane
819	C3H6S	Thiirane, methyl-	methiirane
820	CH3CSCH3	Thioacetone	ch3csch3
821	C2H6O2	1,2-Ethanediol	ethdiol
822	CH3OOCH3	dimethylperoxide	dmp
823	CH3SOCH3	Dimethyl sulfoxide	dmso
824	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
825	CH3SSCH3	Disulfide, dimethyl	ch3ssch3
826	CH3COHCH3+	acetone, protonated	acetoneh+
827	HOCH2CH2NH2	monoethanolamine	mea
828	CH3CHOHCH3	Isopropyl alcohol	isoproh
829	CH3OC2H5	Ethane, methoxy-	etome
830	C3H7SH	1-Propanethiol	prsh
831	CH3CHSHCH3	2-Propanethiol	isoprsh
832	CH3SCH2CH3	Ethane, (methylthio)-	etsme
833	H2OCH3OCH3	water dimethylether dimer	h2och3och3
834	Na2F2	Sodium Fluoride Dimer	na2f2
835	Na2Cl2	Disodium dichloride	na2cl2
836	C2F2	difluoroacetylene	c2f2
837	C2Cl2	dichloroacetylene	c2cl2
838	C2Cl2+	dichloroacetylene cation	c2cl2+
839	FNO2	Nitryl fluoride	fno2
840	FONO	Nitrosyl hypofluorite	fono
841	ClNO2	Nitryl chloride	clno2
842	ClONO	chlorine nitrite	clono
843	BrONO	Bromine nitrite	brono
844	N2F2	(Z)-Difluorodiazene	n2f2_z
845	N2F2	Dinitrogen difluoride, (E)-	n2f2_e
846	COFCl	Carbonic chloride fluoride	cofcl
847	CCl2O	Phosgene	cl2co
848	Cl2CS	Thiophosgene	cl2cs
849	COBr2	Carbonic dibromide	cobr2
850	BF3-	Borane, trifluoro- anion	bf3-
851	AlF2Cl	Aluminum chloride difluoride	alclf2
852	ScF3	Scandium trifluoride	ScF3
853	AlFCl2	Aluminum dichloride fluoride	alcl2f
854	AlCl3	Aluminum trichloride	alcl3
855	BBr3	Boron tribromide	bbr3
856	AlBr3	Aluminum Bromide	albr3
857	ClO3	Chlorine trioxide	clo3
858	ClO3-	chlorate anion	clo3-
859	BrO3-	Bromate anion	bro3-
860	CF3	Trifluoromethyl radical	cf3
861	CF3-	Trifluoromethyl anion	cf3-
862	CF3+	Trifluoromethyl cation	cf3+
863	SiF3	Silicon trifluoride radical	sif3
864	SiF3+	Silicon trifluoride cation	sif3+
865	CCl3	Trichloromethyl radical	ccl3
866	CCl3-	Trichloromethyl anion	ccl3-
867	CCl3+	Trichloromethyl cation	ccl3+
868	SiCl3	trichlorosilyl radical	sicl3
869	SiCl3+	trichlorosilyl cation	sicl3+
870	FOOF	Perfluoroperoxide	foof
871	ClO2F	Chloryl fluoride	clo2f
872	F2SO	Thionyl Fluoride	f2so
873	ClOOCl	Dichlorine dioxide	cloocl
874	FSSF	Difluorodisulfane	fssf
875	S2F2	Thio-thionyl fluoride	s2f2
876	SOCl2	thionyl chloride	socl2
877	SeOCl2	selenium oxychloride	seocl2
878	NF3-	Nitrogen trifluoride anion	nf3-
879	NF3+	Nitrogen trifluoride cation	nf3+
880	PF3	Phosphorus trifluoride	pf3
881	AsF3	Arsenic trifluoride	asf3
882	PCl3	Phosphorus trichloride	pcl3
883	SbF3	Antimony Trifluoride	sbf3
884	AsCl3	Arsenous trichloride	ascl3
885	SbCl3	Antimony Trichloride	sbcl3
886	PBr3	Phosphorus tribromide	pbr3
887	AsBr3	Arsenic tribromide	asbr3
888	ClSSCl	Disulfur dichloride	s2cl2
889	SF3	Sulfur trifluoride	sf3
890	ClF3	Chlorine trifluoride	clf3
891	BrF3	Bromine trifluoride	brf3
892	IF3	iodone trifluoride	if3
893	CHF2Cl	difluorochloromethane	chf2cl
894	CHFCl2	fluorodichloromethane	chfcl2
895	CDCl3	trichloromethane-d	cdcl3
896	CHCl3	Chloroform	chcl3
897	SiHCl3	Trichlorosilane	sihcl3
898	CHFClBr	fluorochlorobromomethane	chfclbr
899	CHF2I	difluoroiodomethane	chf2i
900	CHFClI	fluorochloroiodomethane	chfcli
901	CHCl2I	dichloroiodomethane	chcl2i
902	CHClBr2	Methane, dibromochloro-	chclbr2
903	CHBr3	bromoform	chbr3
904	CHI3	Iodoform	chi3
905	NF3H+	protonated nitrogen trifluoride	nf3h+
906	AsF3H+	Arsenic trifluoride, protonated	asf3h+
907	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
908	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
909	CH2CF2	Ethene, 1,1-difluoro-	ch2cf2
910	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
911	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
912	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
913	CH2CCl2	Ethene, 1,1-dichloro-	ch2ccl2
914	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
915	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
916	C2H2Br2	1,1-dibromoethene	c2h2br2
917	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
918	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
919	CH2FCHO	Fluoroacetaldehyde	ch2fcho
920	CH3COF	Acetyl fluoride	ch3cof
921	CH2ClCHO	chloroacetaldehyde	ch2clcho
922	CH3COCl	Acetyl Chloride	ch3cocl
923	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
924	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
925	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
926	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
927	CH2CFCH3	2-fluoropropene	2fpro
928	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
929	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
930	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
931	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
932	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
933	CH3CHFCH3	2-Fluoropropane	prf2
934	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
935	CH3CHClCH3	Propane, 2-chloro-	prcl2
936	CH3CH2CH2Br	n-propyl bromide	prbr
937	CH3CHBrCH3	i-propyl bromide	iprbr
938	C3H9O+	trimethyl oxonium cation	c3h9o+
939	B5H9	pentaborane9	b5h9
940	C5H5	cyclopentadienyl radical	c5h5
941	C5H5-	cylopentadienyl anion	c5h5-
942	C5H6	1,3-Cyclopentadiene	c542927
943	C5H6	1-Buten-3-yne, 2-methyl-	c78808
944	C5H6	3-Penten-1-yne, (E)-	c2004695
945	C5H6	3-Penten-1-yne, (Z)-	c1574409
946	C5H6	Bicyclo[2.1.0]pent-2-ene	c5164352
947	C5H6	Cyclopropylacetylene	c6746947
948	C5H6	Propellane	propellane
949	C5H7	1,3-pentadienyl radical	pdyl
950	C5H7	cyclopentenyl radical	cpyl
951	C5H8	1,2-Butadiene, 3-methyl-	c598254
952	C5H8	1,2-Pentadiene	c591957
953	C5H8	1,3-Butadiene, 2-methyl-	c78795
954	C5H8	1,3-Pentadiene, (E)-	c2004708
955	C5H8	1,3-Pentadiene, (Z)-	c1574410
956	C5H8	1,4-Pentadiene	c591935
957	C5H8	1-pentyne	a1pentyne
958	C5H8	2,3-Pentadiene	c591968
959	C5H8	Cyclobutane, methylene-	c1120565
960	C5H8	Cyclopentene	c142290
961	C5H8	Ethenylcyclopropane	c693867
962	CH3CCCH2CH3	2-Pentyne	2pentyne
963	C5H10	1-Butene, 2-methyl-	c563462
964	C5H10	2-Butene, 2-methyl-	c513359
965	C5H10	2-Pentene, (E)-	c646048
966	C5H10	2-Pentene, (Z)-	c627203
967	C5H10	Cyclopentane	c287923
968	C5H10	Cyclopropane, 1,1-dimethyl-	c1630940
969	CH2CHCH2CH2CH3	1-pentene	pentene
970	C5H11	2-Methylbut-2-yl radical	c4348350
971	C5H12	Butane, 2-methyl-	buta2
972	C5H12	Pentane	pentane
973	C5H12	Propane, 2,2-dimethyl-	neopentane
974	Si(CH3)4	tetramethylsilane	tms
975	N2O3	Dinitrogen trioxide	n2o3
976	C3H2N2	Malononitrile	c3h2n2
977	CH2N4	1H-Tetrazole	1htz
978	C3H3N2	imidazolyl radical	im
979	C3H3N2-	imidizolyl anion	im-
980	C2H3N3	1H-1,2,4-Triazole	c288880
981	C4H4N	pyrrolide radical	c4h4n
982	C4H4N-	pyrrolide anion	c4h4n-
983	C3H4N2	1H-Imidazole	1himidaz
984	C3H4N2	1H-Pyrazole	1hpyraz
985	C3H4N2	2H-Imidazole	imid2h
986	C3H4N2	4H-Imidazole	imid4h
987	C4H5N	(E)-2-Butenenitrile	c627269
988	C4H5N	(Z)-2-Butenenitrile	c1190767
989	C4H5N	2H-pyrrole	pyrrole2
990	C4H5N	3H-pyrrole	pyrrole3
991	C4H5N	Cyclopropanecarbonitrile	c5500210
992	CH2CHCH2CN	Allylcyanide	ch2chch2cn
993	C4H6N+	pyrrole, alpha-protonated	appyr
994	C4H6N+	pyrrole, beta-protonated	bppyr
995	C4H6N+	pyrrole, protonated	ppyr
996	C3H6N2	3-Aminopropionitrile	c151188
997	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
998	CH3CH2CH2CN	Butanenitrile	c109740
999	C5H8	Bicyclo[2.1.0]pentane	c185944
1000	C5H8	Spiropentane	c157404
1001	C4H9N	Cyclobutylamine	cbam
1002	C4H9N	Pyrrolidine	pyrrolidine
1003	C3H10N2	1,2-Diaminopropane	diampr12
1004	C(CH3)3NH2	2-Propanamine, 2-methyl-	c75649
1005	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	c78819
1006	C(NH2)H2CH2CH2CH3	1-Butanamine	butam1
1007	CH3C(NH2)HCH2CH3	2-Butanamine	butam2
1008	NH(C2H5)2	diethylamine	dea
1009	NC4H12+	tetramethyl ammonium cation	nc4h12+
1010	C3O2+	Carbon suboxide cation	c3o2+
1011	MgCO3	Magnesium Carbonate	mgco3
1012	BeCO3	Beryllium Carbonate	beco3
1013	ONONO	Nitrosyl nitrite	onono
1014	PO4---	phosphate	po4---
1015	SO4--	sulfate	so4--
1016	HOONO2	peroxy nitric acid	hoono2
1017	HSO4-	bisulfate anion	hso4-
1018	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1019	C3H2O2	Propiolic acid	c3h2o2
1020	CHOCOOH	oxo acetic acid	oaa
1021	H2SO4	Sulfuric acid	h2so4
1022	H2SeO4	Selenic acid	h2seo4
1023	C3H3NO	Oxazole	oxazole
1024	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1025	CH3NO3	Methyl nitrate	ch3no3
1026	H3PO4	Phosphoric Acid	h3po4
1027	C4H4O	Furan	furan
1028	C4H4O+	Furan cation	furan+
1029	CH3COCCH	3-butyn-2-one	c1423605
1030	C4H4S	Thiophene	furans
1031	C3H4O2	β–Propiolactone	beta
1032	C3H4O2	2-Propenoic acid	propenoic2
1033	C3H4O2	Methyl glyoxal	megly
1034	C3H4O2	propanedial	propanedial
1035	C3H4O2	propenalol	propenalol
1036	HOCHCCHOH	allenediol	aldiol
1037	C2H4O3	1,2,3-trioxolane	c2h4o3
1038	C2H4O3	trioxolane124	triox
1039	HOCH2COOH	Hydroxyacetic acid	hac
1040	CH2CHCONH2	Acrylamide	c79061
1041	CH3OCH2CN	Methoxyacetonitrile	c1738369
1042	CH5N3S	Hydrazinecarbothioamide	c79196
1043	H2NCH2COOH	Glycine	glycine
1044	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1045	C4H6O	cis-2-butenal	butenal2c
1046	C4H6O	Cyclobutanone	cbutone
1047	C4H6O	Furan, 2,3-dihydro-	furan23h
1048	C4H6O	Furan, 2,5-dihydro-	furan25h
1049	CH2CHOCHCH2	Vinyl ether	vinylether
1050	CHOCHCHCH3	2-Butenal	butenal2
1051	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1052	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1053	CH2CHSCHCH2	Divinyl sulfide	divis
1054	C2H6N2O	Urea, methyl-	c598505
1055	C3H6O2	1,3-Dioxolane	dioxolane
1056	CH3CH2COOH	Propanoic Acid	propanoic
1057	CH3COOCH3	methyl acetate	aame
1058	C2H6O2S	Dimethyl sulfone	c67710
1059	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1060	C3H7NO	dimethylformamide	dmf
1061	C3H7NO	Propanamide	propanam
1062	C2H3OC2H5	Ethene, ethoxy-	c109922
1063	C4H8O	Cyclobutanol	c2919235
1064	C4H8O	Furan, tetrahydro-	thf
1065	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	pre1meo2
1066	CH3COCH2CH3	2-Butanone	buta2one
1067	CHOCH(CH3)CH3	Propanal, 2-methyl-	c78842
1068	CHOCH2CH2CH3	Butanal	butanal
1069	C3H8O2	1,3-Propanediol	c504632
1070	C3H8O2	Hydroperoxide, 1-methylethyl	c3031752
1071	C3H8O2	Methane, dimethoxy-	c109875
1072	C3H8O2	Propylene glycol	c57556
1073	C3H8S2	1,3-Propanedithiol	c109808
1074	C4H10O	1-Butanol	butanol1
1075	C4H10O	1-Propanol, 2-methyl-	c78831
1076	C4H10O	2-Butanol, (.+/-.)-	butanol2
1077	C4H10O	Ethanol, 1,1-dimethyl-	tbuoh
1078	C4H10O	Ethoxy ethane	etoet
1079	C4H10O	Propane, 2-methoxy-	c598538
1080	C4H10O+	1-Butanol cation	butanol1+
1081	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1082	C2H5SC2H5	Diethyl sulfide	etset
1083	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1084	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1085	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1086	FNO3	Fluorine nitrate	fno3
1087	ClONO2	Chlorine nitrate	clono2
1088	BrONO2	Bromine nitrate	brono2
1089	TiCl4	Titanium tetrachloride	ticl4
1090	ClO4-	perchlorate anion	clo4-
1091	BF4-	tetrafluoroboron anion	bf4-
1092	ClFO3	Perchloryl fluoride	clfo3
1093	SO2F2	Sulfuryl fluoride	so2f2
1094	SO2Cl2	Sulfuryl chloride	so2cl2
1095	F3NO	Nitrogen trifluoride oxide	f3no
1096	F3PO	Phosphoryl fluoride	pf3o
1097	Cl3PO	Phosphoryl chloride	pcl3o
1098	CF4	Carbon tetrafluoride	cf4
1099	SiF4	Silicon tetrafluoride	sif4
1100	TiF4	Titanium tetrafluoride	tif4
1101	CFCl3	Trichloromonofluoromethane	cfcl3
1102	CCl4	Carbon tetrachloride	ccl4
1103	CCl4+	Carbon tetrachloride cation	ccl4+
1104	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1105	SiCl4	Silane, tetrachloro-	sicl4
1106	CF3I	trifluoroiodomethane	cf3i
1107	CBrCl3	Methane, bromotrichloro-	cbrcl3
1108	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1109	GeCl4	Germanium Tetrachloride	gecl4
1110	CBr2Cl2	dibromodichloromethane	cbr2cl2
1111	CFBr3	fluorotribromomethane	cfbr3
1112	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1113	CBr3Cl	tribromochloromethane	cbr3cl
1114	CF2I2	difluorodiiodomethane	cf2i2
1115	CCl2I2	dichlorodiiodomethane	ccl2i2
1116	SiBr4	Silicon tetrabromide	sibr4
1117	CBr3I	tribromoiododmethane	cbr3i
1118	CI4	tetraiodomethane	ci4
1119	SiI4	silicon tetraiodide	sii4
1120	ClOF3	Chlorine trifluoride oxide	clof3
1121	C2HF3	Trifluoroethylene	c2hf3
1122	C2HF3+	Trifluoroethylene cation	c2hf3+
1123	CHClCCl2	Trichloroethylene	chclccl2
1124	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1125	HClO4	perchloric acid	hclo4
1126	HSO3F	Fluorosulfonic acid	hso3f
1127	CF3OH	trifluoromethanol	cf3oh
1128	CHClCCHCl	1,3-dichloroallene	chclcchcl
1129	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1130	CH3CF3	Ethane, 1,1,1-trifluoro-	ch3cf3
1131	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1132	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1133	CH2ClCHCl2	1,1,2-trichloroethane	ch2clchcl2
1134	CH3CCl3	Ethane, 1,1,1-trichloro-	ch3ccl3
1135	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1136	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1137	NH3BCl3	Amminetrichloroboron	nh3bcl3
1138	SiH3CCl3	(trichloromethyl)silane	sih3ccl3
1139	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1140	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1141	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1142	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1143	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1144	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1145	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1146	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1147	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1148	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1149	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1150	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1151	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1152	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1153	C4H9F	1-fluorobutane	butaf1
1154	CH3CHFCH2CH3	2-fluorobutane	butaf2
1155	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1156	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1157	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1158	XeF4	Xenon tetrafluoride	xef4
1159	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1160	NH3BF3	Amminetrifluoroboron	nh3bf3
1161	C6H2	hexatriyne	c6h2
1162	C6H4	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1163	C6H4	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1164	C6H4	Benzyne	benzyne
1165	C6H5	phenyl	phenyl
1166	C6H5-	phenyl anion	phenyl-
1167	C6H6	1,2,4,5-Hexatetraene	ht1245
1168	C6H6	2,4-Hexadiyne	hexadiyne
1169	C6H6	3,4-Dimethylenecyclobutene	cb34m
1170	C6H6	Benzene	benzene
1171	C6H6	Benzvalene	bv
1172	C6H6	Hexa-1,5-diene-3-yne	hdy153
1173	C6H6	Trimethylenecycopropane	tmcp
1174	C6H6+	Benzene cation	c6h6+
1175	C6H7+	benzene, protonated	c6h7+
1176	C6H8	(E)-hexa-1,3,5-triene	c821078
1177	C6H8	(E)-hexa-2,3,4-triene	c59660650
1178	C6H8	(Z)-hexa-1,3,5-triene	hexatri135
1179	C6H8	(Z)-hexa-2,3,4-triene	hetr234c
1180	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1181	C6H8	1,4-Cyclohexadiene	cyhexadiene14
1182	C6H8	3-Methylenecyclopentene	c930267
1183	C6H8	Bicyclo[2.1.1]hex-2-ene	c822413
1184	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1185	C6H8	Bicyclo[3.1.0]hex-2-ene	c694019
1186	C6H10	1,3-Hexadiene, (E)-	hexdi13e
1187	C6H10	1,3-Hexadiene, (Z)-	hexdi13z
1188	C6H10	1,4-Hexadiene, (E)-	hexdi14t
1189	C6H10	1,4-Hexadiene, (Z)-	hexdi14z
1190	C6H10	1,5-Hexadiene	c592427
1191	C6H10	1-Butyne, 3,3-dimethyl-	c917920
1192	C6H10	1-Hexyne	hexyne1
1193	C6H10	2,4-Hexadiene, (E,E)-	hexdi24ee
1194	C6H10	2,4-Hexadiene, (E,Z)-	hexdi24ez
1195	C6H10	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1196	C6H10	2-Hexyne	c764352
1197	C6H10	3-Hexyne	hexyne3
1198	C6H10	cyclohexene	cyclohexene
1199	C6H10	Cyclopentene, 1-methyl-	c693890
1200	C6H10	Cyclopentene, 3-methyl-	c1120623
1201	C6H10	Cyclopentene, 4-methyl-	c1759815
1202	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1203	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1204	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1205	C6H12	(E)-2-Hexene	e2hexene
1206	C6H12	(E)-3-methylpent-2-ene	c616126
1207	C6H12	(E)-hex-3-ene	e3hexene
1208	C6H12	(Z)-3-methylpent-2-ene	c922623
1209	C6H12	(Z)-hex-2-ene	z2hexene
1210	C6H12	(Z)-hex-3-ene	z3hexene
1211	C6H12	2,3-dimethylbut-1-ene	c563780
1212	C6H12	2,3-dimethyl-but-2-ene	tmeet
1213	C6H12	3-methylenepentane	c760214
1214	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1215	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1216	C6H12	Cyclohexane	cyclohexane
1217	C6H12	Cyclopentane, methyl-	c96377
1218	C6H12	Ethylcyclobutane	c4806615
1219	C6H12	hex-1-ene	hexene1
1220	C6H14	Butane, 2,2-dimethyl-	buta22
1221	C6H14	Butane, 2,3-dimethyl-	buta23
1222	C6H14	Hexane	hexane
1223	C6H14	Pentane, 2-methyl-	penta2
1224	C6H14	Pentane, 3-methyl-	penta3
1225	C4N2	2-Butynedinitrile	c4n2
1226	C4H2N2	Fumaronitrile	c4h2n2
1227	C2H2N4	sym-tetrazine	ttz
1228	C3H3N3	1,3,5-Triazine	triazine135
1229	CH3N5	5-Aminotetrazole	c4418615
1230	C4H4N2	1,3-Diazine	diazine13
1231	C4H4N2	Pyrazine	pyrazine
1232	C4H4N2	Pyridazine	pyridazine
1233	C4H4N2	Succinonitrile	c110612
1234	C2H4N4	1H-Tetrazole, 1-methyl-	c16681779
1235	C2H4N4	1H-Tetrazole, 5-methyl-	c4076362
1236	C2H4N4	2H-Tetrazole, 2-methyl-	c16681780
1237	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1238	C5H5N	E-2,4-pentadienenitrile	bdcn
1239	C5H5N	Pyridine	pyridine
1240	B3N3H6	borazine	borazine
1241	C6H6	Fulvene	fulvene
1242	C5H6N+	Pyridinium	c5h6n
1243	C4H6N2	1H-Imidazole, 2-methyl-	c693981
1244	C5H7N	(E)-2-Pentenenitrile	c26294984
1245	C5H7N	(E)-3-Pentenenitrile	c16529661
1246	C5H7N	(Z)-2-Pentenenitrile	c25899507
1247	C5H7N	1H-Pyrrole, 1-methyl-	c96548
1248	C5H7N	Cyclobutanecarbonitrile	c4426113
1249	C5H9N	1,2,3,6-Tetrahydropyridine	c694053
1250	C5H9N	Butanenitrile, 2-methyl-	c18936179
1251	C5H9N	Pentanenitrile	c110598
1252	C5H9N	Propanenitrile, 2,2-dimethyl-	c630182
1253	C6H10	Bicyclo[3.1.0]hexane	c285585
1254	C5H11N	Cyclopentanamine	cypentam
1255	C5H11N	Piperidine	piper
1256	C4H12N2	1,2-Butanediamine	c4426486
1257	C4H12N2	2-Methyl-1,2-propanediamine	c811938
1258	Li2CO3	Lithium Carbonate	li2co3
1259	Na2CO3	Sodium Carbonate	na2co3
1260	C2O4--	oxalate anion	c2o4
1261	MgSO4	Magnesium Sulfate	mgso4
1262	C2H2O4	Oxalic Acid	oxalic
1263	C2H3NO3	Oxamic acid	oxamic
1264	C4H4O2	2(5H)-Furanone	furanone
1265	C4H4O2	2-Oxetanone, 4-methylene-	c674828
1266	C2H4N2O2	Oxalamide	oxalamide
1267	C2H4N2S2	Ethanedithioamide	c79403
1268	C2H4CO3	Ethylene carbonate	etco3
1269	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1270	C3H4S3	1,3-Dithiolane-2-thione	c822388
1271	C2H4O4	Formic acid dimer	fadimer
1272	C4H5NO	3-Methylisoxazole	isox3m
1273	C4H5NO	Isoxazole, 5-methyl-	c5765446
1274	C4H5NS	4-Methylthiazole	c693958
1275	C2H5NO3	Nitric acid, ethyl ester	c625581
1276	C5H6O	2H-Pyran	pyran2
1277	C5H6O	2-methylfuran	furan2m
1278	C5H6O	3-Methylfuran	furan3m
1279	C5H6O	Pentadienal	pdal
1280	C5H6S	Thiophene, 2-methyl-	c554143
1281	C5H6S	Thiophene, 3-methyl-	c616444
1282	C4H6O2	2,3-Butanedione	c431038
1283	C4H6O2	2-Propenoic acid, methyl ester	c96333
1284	C4H6O2	Crotonic Acid	crot
1285	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1286	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1287	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1288	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1289	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1290	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1291	C4H6OS	Vinyl sulfoxide	c1115157
1292	CH6N4S	Carbonothioic dihydrazide	thiacarb
1293	C2H6N2O2	(E)-Azodioxymethane	c37765154
1294	C2H6N2O2	Dimethylnitroamine	c4164287
1295	C3H6S3	1,3,5-Trithiane	c3h6s3
1296	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1297	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1298	C4H7NO	2-Pyrrolidinone	c616455
1299	C4H7NO	Ethoxyacetonitrile	etoaccn
1300	C4H7NO	Methacrylamide	c79390
1301	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1302	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1303	C3H7ONO	Propyl nitrite	prono
1304	CH3CH(CH3)ONO	Isopropyl nitrite	c541424
1305	CH3CH(NH2)COOH	Alanine	alanine
1306	CH3NHCH2COOH	Sarcosine	sarcosine
1307	NH2CH2CH2COOH	β–alanine	betaalanine
1308	NH2COOC2H5	Urethane	urethane
1309	C5H8O	2H-Pyran, 3,4-dihydro-	c110872
1310	C5H8O	Cyclopentanone	c120923
1311	C5H8O	Furan, 2,3-dihydro-5-methyl-	c1487156
1312	C5H8O	Methyl cyclopropyl ketone	c765435
1313	N(CH3)2CONH2	Urea, N,N-dimethyl-	c598947
1314	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1315	NH2CONHC2H5	Urea, ethyl-	c625525
1316	C4H8O2	1,3-Dioxane	dioxan13
1317	C4H8O2	1,3-Dioxolane, 2-methyl-	c497267
1318	C4H8O2	1,4-Dioxane	dioxan14
1319	C4H8O2	Ethene, 1,1-dimethoxy-	c922690
1320	C4H8O2	Ethyl acetate	c141786
1321	C4H8OS	s-Ethyl thioacetate	c625605
1322	C3H8O3	1,2,3-Propanetriol	glycerin
1323	C3H8O2S	(Methylsulfonyl)ethane	c594434
1324	C4H9NO	Butanamide	c541355
1325	C4H9NO	Propanamide, 2-methyl-	c563837
1326	C5H10O	2-Butanone, 3-methyl-	c563804
1327	C5H10O	2H-Pyran, tetrahydro-	c142687
1328	C5H10O	2-methylbutyraldehyde	2meba
1329	C5H10O	2-Pentanone	mpk
1330	C5H10O	Cyclopentanol	c96413
1331	C5H10O	Oxetane, 3,3-dimethyl-	c6921353
1332	C5H10O	Pentanal	pal
1333	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1334	C5H10S	3-Ethylthio-1-propene	c5296628
1335	C5H10S	Cyclopentanethiol	c1679078
1336	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1337	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1338	C4H10O2	1,1-Dimethoxyethane	c534156
1339	C4H10O2	1,3-Butanediol	budiol13
1340	C4H10O2	1,4-Butanediol	budiol14
1341	C4H10O2	Ethane, 1,2-dimethoxy-	c110714
1342	C4H10OS	Diethyl sulfoxide	c70291
1343	C4H10S2	1,4-Butanedithiol	budisl14
1344	C4H11NO	Diethylhydroxylamine	c3710847
1345	C5H12O	1-Butanol, 2-methyl-	c137326
1346	C5H12O	1-Butanol, 3-methyl-	c123513
1347	C5H12O	1-Pentanol	pentanol1
1348	C5H12O	2-Butanol, 3-methyl-	c598754
1349	C5H12O	2-Pentanol	peol2
1350	C5H12O	3-Pentanol	pentan3ol
1351	C5H12O	Butane, 1-methoxy-	meobu
1352	C5H12O	Propane, 1-ethoxy-	proet
1353	C5H12O	Propane, 2-methoxy-2-methyl-	c1634044
1354	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1355	C5H12S	1-Butanethiol, 3-methyl-	c541311
1356	C5H12S	1-Pentanethiol	c110667
1357	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1358	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1359	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1360	C5H12S	Butane, 1-(methylthio)-	c628295
1361	C5H12S	Ethyl propyl sulfide	c4110503
1362	C5H12S	Propane, 2-(ethylthio)-	c5145993
1363	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1364	ClCOClCO	Oxalyl chloride	oxcl
1365	CF3CN	Acetonitrile, trifluoro-	cf3cn
1366	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1367	B2F4	Diboron tetrafluoride	b2f4
1368	B2Cl4	Diboron tetrachloride	b2cl4
1369	C2F4	Tetrafluoroethylene	c2f4
1370	C2F4+	Tetrafluoroethylene cation	c2f4+
1371	CF2CCl2	difluorodichloroethylene	cf2ccl2
1372	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1373	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1374	C2FCl3	fluorotrichloroethene	c2fcl3
1375	C2Cl4	Tetrachloroethylene	c2cl4
1376	CF3OF	Trifluoromethylhypofluorite	cf3of
1377	SOF4	Sulfur tetrafluoride oxide	sof4
1378	AsF5	Arsenic pentafluoride	asf5
1379	PCl5	Phosphorus pentachloride	pcl5
1380	SF5	Sulfur pentafluoride	sf5
1381	SF5+	pentafluoro sulfur cation	sf5+
1382	SbCl5	Antimony pentachloride	sbcl5
1383	BrF5	bromine pentafluoride	brf5
1384	ClF5	chlorinepentafluoride	clf5
1385	CF3CHO	trifluoroacetaldehyde	cf3cho
1386	CCl3CHO	trichloroacetaldehyde	ccl3cho
1387	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1388	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1389	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1390	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1391	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1392	CH2BrCBr3	1,1,1,2-tetrabromo ethane	c2h2br4
1393	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1394	CF3COOH	trifluoroacetic acid	cf3cooh
1395	C4H3ClO	Furan, 2-chloro	fur2cl
1396	C4H3ClO	Furan,3-chloro	fur3cl
1397	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1398	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1399	C4H8Cl2	1,4-Dichlorobutane	c110565
1400	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1401	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1402	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1403	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1404	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1405	C5H11Cl	Pentane, 1-chloro-	pencl1
1406	C4H8O2	Butanoic acid	bua
1407	C6H5CH2	benzyl radical	benzyl
1408	C7H7	cycloheptatrienyl radical	c7h7
1409	C7H7+	cycloheptatrienyl cation	c7h7+
1410	C6H5CH3	toluene	toluene
1411	C7H8	cycloheptatriene	cht
1412	C7H8	Norbornadiene	norbor
1413	C7H8	Quadricyclane	qucy
1414	C7H12	Norbornane	nor
1415	C7H14	cycloheptane	c7h14
1416	C7H16	2-methylhexane	2mhex
1417	C7H16	3-methylhexane	hex3m
1418	C7H16	heptane	heptane
1419	C6H7N	2-Methylpyridine	mp
1420	C6H5NH2	aniline	aniline
1421	C6H13N	2-Methylpiperidine	pip2m
1422	C6H13N	cyclohexanamine	cham
1423	C6H15N	triethylamine	tea
1424	N2O5	Dinitrogen pentoxide	n2o5
1425	C4H2O3	Maleic Anhydride	malan
1426	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1427	C5H4O2	furfural	furfural
1428	C6H5O	phenoxy radical	phenoxy
1429	C5H5NO	2(1H)-Pyridinone	c72762006
1430	C5H5NO	2(3H)-Pyridinone	c9000048
1431	C5H5NO	2(5H)-Pyridinone	c9000037
1432	C5H5NO	2-Pyridinol	c109104
1433	C5H5NO	3(2H)-Pyridinone	c9000004
1434	C5H5NO	3(4H)-Pyridinone	c9000026
1435	C5H5NO	3(6H)-Pyridinone	c9000015
1436	C5H5NO	3-Pyridinol	c109002
1437	C5H5NO	4(1H)-Pryidinone	c9000060
1438	C5H5NO	4(3H)-Pryidinone	c9000059
1439	C5H5NO	4-Pyridinol	c626642
1440	C6H5OH	phenol	phenol
1441	C6H6O	2,4-Cyclohexadienone	c24599573
1442	C6H6O	2,5-Cyclohexadienone	c5664335
1443	C6H5SH	Benzenethiol	phsh
1444	HO2CCHNH2CH2OH	Serine	serine
1445	C5H8O2	Acetylacetone	acac
1446	C4H8O2S	Sulfolane	sulfolane
1447	C7H10	Norbornene	norbornene
1448	CH(C2H3)3	trivinyl methane	tvm
1449	C6H10O	cyclohexanone	chexo
1450	C6H12O	hexanal	c6h12o
1451	C3H7OC3H7	di-n-propyl ether	propr
1452	CF3COO-	trifluoro acetate anion	cf3coo-
1453	CF3COF	trifluoroacetyl fluoride	cf3cof
1454	CF3COCl	trifluoroacetyl chloride	cf3cocl
1455	PF6	Hexafluorophosphate neutral	pf6
1456	PF6-	Hexafluorophosphate ion	pf6-
1457	SeF6	Selenium hexafluoride	sef6
1458	SF5Cl	sulfur chloropentafluoride	sf5cl
1459	CF3CHF2	pentafluoroethane	cf3chf2
1460	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1461	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1462	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1463	CCl3CHCl2	pentachloroethane	ccl3chcl2
1464	C6H5F	Fluorobenzene	bzf
1465	C6H5Cl	chlorobenzene	bzcl
1466	C6H5Br	bromobenzene	bzbr
1467	C8H6	Calicene	calicene
1468	C6H5CCH	phenylacetylene	phac
1469	C8H6	benzocyclobutadiene	bcbd
1470	C8H6	Pentalene	pentalene
1471	C6H5CHCH2	Styrene	styrene
1472	C8H8	cubane	cubane
1473	C8H8	cyclooctatetraene	cot
1474	C6H5CH2CH3	Ethylbenzene	etbz
1475	CH3C6H4CH3	meta-xylene	mxylene
1476	CH3C6H4CH3	paraxylene	pxylene
1477	C8H14	Bicyclo[2.2.2]octane	bico222
1478	C8H16	cyclooctane	cyclooct
1479	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1480	C8H18	Octane	c8h18
1481	C6H5CN	phenyl cyanide	phcn
1482	C6H12N2	Triethylenediamine	ted
1483	C4O4--	squarate dianion	c4o4--
1484	S4N4	Tetrasulfur tetranitride	s4n4
1485	S8	Octasulfur	s8
1486	C6H4O2	parabenzoquinone	pbq
1487	C4H4N2O2	Uracil	uracil
1488	C6H5OCH3	Anisole	anisole
1489	C5H9NO2	Proline	proline
1490	C6H12O2	Methyl pivalate	c598981
1491	C6H12O2	Hexanoic acid	hexa
1492	C4F4	tetrafluorcyclobutadiene	c4f4
1493	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1494	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1495	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1496	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1497	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1498	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1499	C2F6	hexafluoroethane	c2f6
1500	IF7	Iodine heptafluoride	if7
1501	C6H4F2	metadifluorobenzene	mdfb
1502	C6H4F2	orthodifluorobenzene	odfb
1503	C6H4F2	1,4-difluorobenzene	pdfb
1504	C6H4Cl2	1,2-dichlorobenzene	dcb12
1505	C6H4Cl2	1,3-dichlorobenzene	dcb13
1506	C6H4Cl2	1,4-dichlorobenzene	dcb14
1507	C6H5NO	nitrosobenzene	bzno
1508	C9H8	Indene	indene
1509	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1510	C9H12	n-propyl benzene	prbz
1511	C9H20	Nonane	nonane
1512	C(CN)4	tetracyanomethane	c5n4
1513	C5H4N4	purine	purine
1514	C8H7N	Indole	indole
1515	C3H3N3O3	cyanuric acid	cyanuric
1516	C6H5NO2	Nitrobenzene	c6h5no2
1517	C6H5COOH	benzoic acid	benzo
1518	CH3COC6H5	acetophenone	acph
1519	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1520	C6H3F3	Benzene trifluoride 123	bzf3a
1521	C10H8	Azulene	azu
1522	C10H8	naphthalene	naph
1523	C10H16	adamantane	adamantane
1524	C6N4	Tetracyanoethylene	tcne
1525	C6N4-	tetracyanoethylene anion	tcne-
1526	C10H22	Decane	decane
1527	C4F6	perfluorobutadiene	c4f6
1528	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1529	C3F8	perfluoropropane	c3f8
1530	Fe(CO)5	Iron pentacarbonyl	ipc
1531	Fe(C5H5)2	ferrocene	fecp2
1532	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1533	C12H8	Acenaphthylene	acenaph
1534	C12H8	biphenylene	biph
1535	C12H10	biphenyl	biphenyl
1536	C12H10	Heptalene	heptalene
1537	C6H12O6	Inositol	inositol
1538	C6F6	hexafluorobenzene	c6f6
1539	S2F10	disulphur decafluoride	s2f10
1540	C13H10	Fluorene	fluorene
1541	C14H10	Anthracene	anth
1542	C14H10	Phenanthrene	phenanthrene
1543	C14H14	Bibenzyl	bibenzyl
1544	C12H10N2	azobenzene	azobenzene
1545	C6H5COC6H5	benzophenone	benzophenone
1546	C16H10	Pyrene	pyrene
1547	C18H12	Tetracene	tetracene
1548	C19H16	Triphenylmethane	tpm
1549	C24H12	Coronene	coronene
1550	C60	Buckminsterfullerene	c60