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 /6-311+G(3df,2p)

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	HD	Deuterium hydride	1Σg	D∞h
7	He	Helium atom	1S	Kh
8	He	Helium atom
9	He+	Helium atom cation	2S	Kh
10	HeH+	Helium hydride cation	1Σ	C∞v
11	He2+	helium diatomic cation	2Σu	D∞h
12	Li	Lithium atom	2S	Kh
13	Li+	Lithium atom cation	1S	Kh
14	Na	Sodium atom	2S	Kh
15	Na+	Sodium atom cation	1S	Kh
16	K	Potassium atom	2S	Kh
17	Cu	Copper atom	2S	Kh
18	LiH	Lithium Hydride	1Σ	C∞v
19	NaH	sodium hydride	1Σ	C∞v
20	KH	Potassium hydride	1Σ	C∞v
21	Be	Beryllium atom	1S	Kh
22	Be+	Beryllium atom cation	2S	Kh
23	Mg	Magnesium atom	1S	Kh
24	Mg+	Magnesium atom cation	2S	Kh
25	Zn	Zinc atom	1S	Kh
26	BeH	beryllium monohydride	2Σ	C∞v
27	MgH	magnesium monohydride	2Σ	C∞v
28	ZnH+	Zinc, protonated
29	BeH2	beryllium dihydride	1Σg	D∞h
30	BeH2+	Beryllium dihydride cation
31	MgH2	magnesium dihydride	1Σg	D∞h
32	CaH2	Calcium Hydride	1Σg	D∞h
33	CaH2	Calcium Hydride	1A1	C2v
34	B	Boron atom	2P	Kh
35	B	Boron atom	4P	Kh
36	B+	Boron atom cation	1S	Kh
37	Al	Aluminum atom	2P	Kh
38	Al-	Aluminum atom anion	3P	Kh
39	Al+	Aluminum atom cation	1S	Kh
40	Ga	Gallium atom	2P
41	Ga-	Gallium atom anion	3P	Oh
42	Ga+	Gallium atom cation	1S
43	BH	Boron monohydride	1Σ	C∞v
44	AlH	aluminum monohydride	1Σ	C∞v
45	GaH	Gallium monohydride	1Σ	C∞v
46	GaH+	Gallium monohydride cation	2Σ	C∞v
47	BH2	boron dihydride	2A1	C2v
48	AlH2	aluminum dihydride	2A1	C2v
49	BH3	boron trihydride	1A1'	D3h
50	BH3+	boron trihydride cation	2B2	C2v
51	BH3+	boron trihydride cation		C2v
52	AlH3-	aluminum trihydride anion		C3v
53	BH4-	borohydride anion	1A1	Td
54	C	Carbon atom	3P0	Kh
55	C	Carbon atom	3P1	Kh
56	C+	Carbon atom cation	2P	Kh
57	Si	Silicon atom	3P	Kh
58	Si	Silicon atom	1S	Kh
59	Si-	Silicon atom anion	4S	Kh
60	Si+	Silicon atom cation	2P	Kh
61	Ti	Titanium atom	3F	Kh
62	Ge	Germanium atom	3P	Kh
63	Ge-	Germanium anion	4S	Kh
64	Ge+	Germanium cation	2P	Kh
65	CH	Methylidyne	2Π1/2	C∞v
66	SiH	Silylidyne	2Π	C∞v
67	GeH	germylidene	2Π	C∞v
68	CH2	Methylene	3B1	C2v
69	CH2-	methylene anion	2B1	C2v
70	SiH2	silicon dihydride	1A1	C2v
71	GeH2	germylene	1A1	C2v
72	CH3	Methyl radical	2A1	D3h
73	SiH3	Silyl radical	2A1	C3v
74	SiH3+	Silyl cation	1A1'	D3h
75	GeH3	Germyl radical	2A1	C3v
76	GeH3+	germyl cation	1A1'	D3h
77	CH4	Methane	1A1	Td
78	SiH2D2	silane-d2
79	SiH4	Silane	1A1	Td
80	GeH4	Germane	1A1	Td
81	SiH5+	Silane, protonated
82	N	Nitrogen atom	4S	Kh
83	N+	Nitrogen atom cation	3P	Kh
84	P	Phosphorus atom	4S	Kh
85	V+	Vanadium atom cation	5D	Kh
86	As	Arsenic atomic	4S	Kh
87	As-	Arsenic anion	3P	Kh
88	As+	Arsenic cation	3P	Kh
89	NH	Imidogen	3Σ-	C∞v
90	PH	phosphorus monohydride	3Σ-	C∞v
91	AsH	Arsenic monohydride	3Σ	C∞v
92	ND2	Amidogen-d2	2B1	C2v
93	NH2	Amino radical	2B1	C2v
94	NH2+	Amino cation	3B1	C2v
95	NH2+	Amino cation	1A1	C2v
96	PH2	Phosphino radical	2B1	C2v
97	ND3	Ammonia-d3	1A1	C3v
98	NH3	Ammonia	1A1	C3v
99	PH3	Phosphine	1A1	C3v
100	PH3+	Phosphine cation	2A1	C3v
101	AsH3	Arsine	1A1	C3v
102	AsH3+	Arsine cation	2A1	C3v
103	AsH4+	Arsonium
104	NH4	Ammonium radical
105	PH4	Phosphoranyl radical
106	O	Oxygen atom	3S	Kh
107	O+	Oxygen atom cation	4S	Kh
108	S	Sulfur atom	3P	Kh
109	S	Sulfur atom
110	Se	Selenium atom	3P	Kh
111	Se-	Selenium atom anion	2P	Kh
112	Se+	Selenium atom cation	4S	Kh
113	DO	Hydroxyl-d	2Π	C∞v
114	OH	Hydroxyl radical	2Π	C∞v
115	OH+	hydoxyl cation	3Σ	C∞v
116	DS	Mercapto-d	2Π	C∞v
117	HS	Mercapto radical	2Π	C∞v
118	HS-	mercapto anion	1Σ	C∞v
119	HS+	sulfur monohydride cation	3Σ	C∞v
120	CrH	Chromium hydride	6Σ	C∞v
121	CrH+	Chromium hydride cation	5Σ	C∞v
122	HSe	Selenium monohydride	2Π	C∞v
123	HSe-	selenium monohydride anion	1Σ	C∞v
124	HSe+	selenium monohydride cation	3Σ	C∞v
125	D2O	Deuterium oxide	1A1	C2v
126	H2O	Water	1A1	C2v
127	H2O-	water anion	2A1	C2v
128	H2O-	water anion	2A'	Cs
129	H2O+	water cation	2B1	C2v
130	HDO	Water-d1	1A1	C2v
131	D2S	Hydrogen sulfide-d2	1A1	C2v
132	H2S	Hydrogen sulfide	1A1	C2v
133	H2S+	Hydrogen sulfide cation	2B1	C2v
134	H2Se	Hydrogen selenide	1A1	C2v
135	H2Se+	Hydrogen selenide cation	2B1	C2v
136	H3S+	Sulfonium cation	1A1	C3v
137	H3Se+	Hydrogen Selenide, protonated	1A1	C3v
138	F	Fluorine atom	2P	Kh
139	F+	Fluorine atom cation	3S	Kh
140	Cl	Chlorine atom	2P	Kh
141	Cl+	Chlorine atom cation	3P	Kh
142	Br	Bromine atom	2P	Kh
143	Br-	Bromine atom anion	1S	Kh
144	Br+	Bromine atom cation	3P	Kh
145	DF	Hydrofluoric acid-d	1Σ	C∞v
146	HF	Hydrogen fluoride	1Σ	C∞v
147	HF-	hydrogen fluoride anion	2Σ	C∞v
148	HF+	hydrogen fluoride cation	2Π	C∞v
149	DCl	Hydrochloric acid-d	1Σ	C∞v
150	HCl	Hydrogen chloride	1Σ	C∞v
151	HCl-	hydrogen chloride anion	2Σ	C∞v
152	HCl+	hydrogen chloride cation	2Π	C∞v
153	HBr	hydrogen bromide	1Σ	C∞v
154	HBr-	hydrogen bromide anion	2Σ	C∞v
155	HBr+	hydrogen bromide cation	2Π	C∞v
156	H2Cl+	dihydrogen monochloride cation	1A1	C2v
157	H2Br+	protonated hydrogen bromide	2A1	C2v
158	Ne	Neon atom	1S	Kh
159	Ne	Neon atom
160	Ne+	Neon atom cation	2P	Kh
161	Ar	Argon atom	1S	Kh
162	Kr	Krypton atom	1S	Kh
163	Kr+	Krypton cation	2P	Kh
164	HeLi+	Helium Lithium cation
165	ArH+	Argon hydride cation	1Σ	C∞v
166	KrH+	Protonated Krypton	1Σ	C∞v
167	Li2	Lithium diatomic	1Σg	D∞v
168	NaLi	lithium sodium	1Σ	C∞v
169	Na2	Sodium diatomic	1Σg	D∞h
170	Na2-	sodium diatomic anion	2Σu	D∞h
171	Be2	Beryllium diatomic	1Σg	D∞h
172	Mg2	Magnesium diatomic	1Σg	D∞h
173	LiAl	Lithium Aluminum
174	Al2	Aluminum diatomic	3Σg	D∞h
175	HBBH	Diborane(2)	3ΣG	D∞h
176	B2H4	Diborane(4) D2d	1A1	D2d
177	B2H6	Diborane	1Ag	D2h
178	B2H6+	Diborane cation
179	CaC	Calcium monocarbide
180	BSi	Boron silicide	4Σ	C∞v
181	BSi	Boron silicide	2Σ	C∞v
182	C2	Carbon diatomic	1Σg+	D∞h
183	Si2	Silicon diatomic	3Σg	D∞h
184	GeC	Germanium monocarbide	1Σ	C∞v
185	SiGe	Silicon Germanium
186	C2H	Ethynyl radical	2Σ	C∞v
187	C2H	Ethynyl radical
188	C2H-	Ethynyl anion	1Σ	C∞v
189	C2H2	Acetylene	1Σg	D∞h
190	C2H2+	acetylene cation	2Πu	D∞h
191	C2H2+	acetylene cation
192	H2CC-	vinylidene anion
193	HCCH-	acetylene anion
194	HCCH-	acetylene anion
195	Si2H2	disilyne
196	Si2H2	disilyne
197	Si2H2	disilyne
198	Si2H2	disilyne
199	CH3Li	methyl lithium	1A1	C3v
200	C2H3	vinyl	2A'	Cs
201	C2H3+	vinyl cation	1A1	C2V bridging H
202	C2H3+	vinyl cation	1A1	C2V HCCH2
203	C2H4	Ethylene	1Ag	D2h
204	C2H4+	Ethylene cation	2B3	D2
205	Si2H4	Disilene
206	Si2H4	Disilene
207	Si2H4	Disilene
208	C2H5	Ethyl radical	2A'	Cs
209	C2H6	Ethane	1A1g	D3d
210	CH3SiH3	methyl silane	1A1	C3
211	Si2H6	disilane	1Eu	D3d
212	LiN	Lithium Nitride	3Σ	C∞v
213	LiP	Lithium monophosphide
214	LiP	Lithium monophosphide
215	MgN	Magnesium Nitride
216	MgN	Magnesium Nitride
217	GaAs	Gallium arsenide	3Π
218	GaAs	Gallium arsenide	1Σ
219	CN	Cyano radical	2Σ	C∞v
220	CP	Carbon monophosphide	2Σ	C∞v
221	SiN	Silicon nitride	2Σ	C∞v
222	SiP	Silicon monophosphide	2Π	C∞v
223	N2	Nitrogen diatomic	1Σg	D∞h
224	N2	Nitrogen diatomic
225	PN	Phosphorus mononitride	1Σ	C∞v
226	P2	Phosphorus diatomic	1Σg	D∞h
227	HNC	hydrogen isocyanide	1Σ	C∞v
228	HCN	Hydrogen cyanide	1Σ	C∞v
229	HCN+	hydrogen cyanide cation	2Π	C∞v
230	HNC+	hydrogen isocyanide cation
231	HCP	Phosphaethyne	1Σ	C∞v
232	HCP+	Phosphaethyne cation
233	NNH+	Dinitrogen monohydride cation	1Σ	C∞v
234	HPO	Hydrogen phosphorus oxide	1A'	Cs
235	LiNH2	lithium amide
236	HBNH	Boranimine	1Σ	C∞v
237	H2NN	Isodiazene
238	N2H2	(E)-diazene	1Ag	C2h
239	N2H2+	trans-diazene cation	2AG	C2h
240	CH2NH	Methanimine	1A'	Cs
241	CH2NH+	Methanimine cation
242	CHNH2	aminomethylene
243	CHNH2+	Aminocarbene cation
244	CH2PH	Phosphaethene	1A'	Cs
245	BH2NH2	Boranamine
246	N2H4	Hydrazine	1A	C2
247	P2H4	Diphosphine	1A	C2
248	CH3NH2	methyl amine	1A'	Cs
249	CH3PH2	Methyl phosphine	1A'	Cs
250	SiH3NH2	Silane, amino
251	BH3PH3	borane phosphine
252	BH3NH3	borane ammonia	1A1	C3v
253	CH3NH3	methyl ammonium radical	2A1	C3v
254	N2H7+	ammonia ammonium dimer
255	LiO	lithium oxide	2Σ	C∞v
256	NaO	sodium monoxide	2Σ	C∞v
257	CuO	Copper Monoxide	2Π	C∞v
258	LiSe	Lithium monoselenide
259	BeO	beryllium oxide	1Σ	C∞v
260	BeS	beryllium sulfide	1Σ	C∞v
261	MgO	magnesium oxide	1Σ+	C∞v
262	CaO	Calcium monoxide	1Σ	C∞v
263	MgS	magnesium sulfide	1Σ	C∞v
264	CaS	Calcium sulfide	1Σ	C∞v
265	BO	boron monoxide	2Σ	C∞v
266	AlO	Aluminum monoxide	2Σ	C∞v
267	BS	boron sulfide	2Σ	C∞v
268	AlS	Aluminum sulfide	2Σ	C∞v
269	GaO	Gallium monoxide	2Σ	C∞v
270	GaS	Gallium monosulfide
271	CO	Carbon monoxide	1Σ	C∞v
272	CO-	carbon monoxide anion	2Π	C∞v
273	CO+	carbon monoxide cation	2Σ	C∞v
274	CS	carbon monosulfide	1Σ	C∞v
275	SiO	Silicon monoxide	1Σ	C∞v
276	SiS	silicon monosulfide	1Σ	C∞v
277	CSe	Carbon monoselenide	1Σ	C∞v
278	GeO	Germanium monoxide	1Σ	C∞v
279	SiSe	Silicon Monoselenide
280	SiSe+	Silicon Monoselenide cation
281	GeSe	Germanium monoselenide
282	NO	Nitric oxide	2Π	C∞v
283	NO-	nitric oxide anion	3Σ	C∞v
284	NO+	nitric oxide cation	1Σ	C∞v
285	NS	Mononitrogen monosulfide	2Π	C∞v
286	PO	Phosphorus monoxide	2Π	C∞v
287	PS	phosphorus sulfide	2Σ	C∞v
288	NSe	Nitrogen monoselenide	2Π	C∞v
289	AsS	Arsenic monosulfide	2Π	C∞v
290	PSe	Phosphorus monoselenide	2Π	C∞v
291	AsSe	Arsenic monoselenide	2Π	C∞v
292	O2	Oxygen diatomic	3Σg	D∞h
293	O2--	dioxygen dianion
294	SO	Sulfur monoxide	3Σ	C∞v
295	SO	Sulfur monoxide	1Σ	C∞v
296	SO+	sulfur monoxide cation	2Π	C∞v
297	S2	Sulfur diatomic	3Σg	D∞h
298	SeO	Selenium monoxide	3Σ	C∞v
299	Se2	Selenium diatomic	3Σg	D∞h
300	LiOH	lithium hydroxide	1Σ	C∞v
301	NaOH	sodium hydroxide	1Σ	C∞v
302	KOH	Potassium hydroxide	1Σ	C∞v
303	BeOH	beryllium monohydroxide	2A'	Cs
304	MgOH	magnesium hydroxide	2A'	Cs
305	HBO	Boron hydride oxide	1Σ	C∞v
306	HBS	hydrogen boron sulfide	1Σ	C∞v
307	COH	Hydroxymethylidyne
308	HCO	Formyl radical	2A'	Cs
309	HCO-	formyl anion	1A'	Cs
310	HCO+	Formyl cation	1Σ	C∞v
311	HNO	Nitrosyl hydride	1A'	Cs
312	HNO+	Nitrosyl hydride cation	2A'	Cs
313	HO2	Hydroperoxy radical	2A"	Cs
314	HSO+	Sulfur Monoxide, S-protonated
315	SOH	Sulfur Hydroxide
316	SOH+	Sulfur Monoxide, protonated
317	H2CO	Formaldehyde	1A1	C2v
318	H2CO-	formaldehyde anion	2A'	Cs
319	H2CO-	formaldehyde anion
320	H2CO+	formaldehyde cation	2B2	C2v
321	H2CS	Thioformaldehyde	1A1	C2v
322	H2CS-	thioformaldehyde anion
323	H2CS-	thioformaldehyde anion
324	H2CSe	Selenoformaldehyde
325	H2O2	Hydrogen peroxide	1A	C2
326	H2O2	Hydrogen peroxide	1Ag	C2h
327	H2OO	water oxide
328	HOSH	hydrogen thioperoxide
329	H2S2	Disulfane	1A	C2
330	H2Se2	hydrogen diselenide
331	CH2OH	Hydroxymethyl radical	2A	C1
332	CH2OH+	hydroxymethyl cation	1A'	Cs
333	CH3O	Methoxy radical	2A'	C1
334	CH3O-	methoxy anion	1A1	C3v
335	CH3S	thiomethoxy	2A'	C3v
336	NH2OH	hydroxylamine	1A'	Cs
337	NH2OH+	Hydroxylamine cation
338	NH2SH	Thiohydroxylamine
339	NH2SH	Thiohydroxylamine
340	NH3S	sulfidoazane
341	CH3OH	Methyl alcohol	1A'	Cs
342	CH3OH+	Methyl alcohol cation	2A"	Cs
343	CH3SH	Methanethiol	1A'	Cs
344	SiH3OH	silanol
345	NH2OH2+	protonated hydroxylamine
346	NH3OH+	N-protonated hydroxylamine
347	H5O2+	Dihydroxonium ion	1A	C2
348	LiF	lithium fluoride	1Σ	C∞v
349	LiCl	lithium chloride	1Σ	C∞v
350	NaF	sodium fluoride	1Σ	C∞v
351	NaF+	sodium fluoride cation	2Σ	C∞v
352	NaCl	Sodium Chloride	1Σ	C∞v
353	CuF	Copper monofluoride	1Σ	C∞v
354	LiBr	Lithium Bromide	1Σ	C∞v
355	CuCl	Copper monochloride	1Σ	C∞v
356	NaBr	Sodium Bromide	1Σ	C∞v
357	LiF+	lithium fluoride cation	2Π	C∞v
358	BeF	Beryllium monofluoride	2Σ	C∞v
359	BeCl	beryllium monochloride	2Σ	C∞v
360	MgF	Magnesium monofluoride	2Σ	C∞v
361	MgCl	magnesium monochloride	2Σ	C∞v
362	CaBr	Calcium monobromide
363	BF	Boron monofluoride	1Σ	C∞v
364	AlF	Aluminum monofluoride	1Σ+	C∞v
365	BCl	boron monochloride	1Σ	C∞v
366	AlCl	Aluminum monochloride	1Σ	C∞v
367	GaF	Gallium monofluoride	1Σ	C∞v
368	AlBr	Aluminum monobromide
369	GaCl	Gallium monochloride	1ΣG	C∞v
370	GaBr	Gallium monobromide
371	CF	Fluoromethylidyne	2Π	C∞v
372	CCl	carbon monochloride	2Π	C∞v
373	SiF	silicon monofluoride	2Π	C∞v
374	SiCl	Clorosilylidyne	2Π	C∞v
375	CBr	Carbon monobromide	2Π	C∞v
376	GeF	Germanium monofluoride	2Π	C∞v
377	GeCl	Germanium monochloride	2Π	C∞v
378	GeCl+	Germanium monochloride cation
379	SiBr	Silicon monobromide	2Π	C∞v
380	SiBr+	Silicon monobromide cation
381	NF	nitrogen fluoride	3Σ	C∞v
382	NCl	nitrogen monochloride	3Σ	C∞v
383	PF	phosphorus monofluoride	3Σ	C∞v
384	PCl	phosphorus chloride	3Σ	C∞v
385	PBr	Phosphorus monobromide
386	FO	Oxygen monofluoride	2Π	C∞v
387	ClO	Monochlorine monoxide	2Π	C∞v
388	ClO+	chlorine monoxide cation	3Σ	C∞v
389	SF	Monosulfur monofluoride	2Π	C∞v
390	SF+	sulfur monofluoride cation	3Σ	C∞v
391	SCl	sulfur monochloride	2Π	C∞v
392	SCl+	sulfur monochloride cation	3Σg	C∞v
393	BrO	Bromine monoxide	2Π	C∞v
394	BrO+	Bromine monoxide cation
395	SBr	Sulfur monobromide radical
396	SBr+	Sulfur monobromide cation
397	SeBr	Selenium monobromide
398	BrCl	Bromine monochloride	1Σ	C∞v
399	F2	Fluorine diatomic	1Σg	D∞h
400	F2+	flourine diatomic cation	2Πg	D∞h
401	ClF	Chlorine monofluoride	1Σ+	C∞v
402	ClF+	clorine monofluoride cation	2Π	C∞v
403	Cl2	Chlorine diatomic	1Σg	D∞h
404	Cl2+	chlorine diatomic cation	2Πg	D∞h
405	BrF	Bromine monofluoride	1Σ	C∞v
406	Br2	Bromine diatomic	1Σg	D∞h
407	Br2-	bromine diatomic anion	2Σu	D∞h
408	Br2+	bromine diatomic cation	2Πg	D∞h
409	HCF	Fluoromethylene	1A'	Cs
410	HCF	Fluoromethylene	3A"	Cs
411	HSiF	fluorosilylene
412	HSiCl	Chlorosilylene
413	HSiBr	monobromosilylene
414	HOF	Hypofluorous acid	1A'	Cs
415	DOCl	Hypochlorous acid-d	1A'	Cs
416	HOCl	hypochlorous acid	1A'	Cs
417	HOCl+	hypochlorous acid cation
418	HOBr	Hypobromous acid	1A'	Cs
419	F2H+	Fluorine, protonated	1A'	Cs
420	ClFH+	Chlorine fluoride, F-protonated
421	FClH+	Chlorine fluoride, Cl-protonated
422	Cl2H+	Chlorine, protonated	1A'	Cs
423	CH2Br	bromomethyl radical
424	CH2F	fluoromethyl radical	2A	Cs
425	CH2F+	fluoromethyl cation
426	CH2Cl+	chloromethyl cation
427	CH2Cl	chloromethyl radical	2A'	Cs
428	CH2Cl	chloromethyl radical	2B1	C2v
429	NH2Cl	chloramine	1A'	Cs
430	H2F2	Hydrogen fluoride dimer	1Ag	Cs
431	CH3F+	methyl fluoride cation
432	CH3F	Methyl fluoride	1A1	C3v
433	CH3Cl	Methyl chloride	1A1	C3v
434	CH3Cl+	Methyl chloride cation
435	SiH3F	monofluorosilane	1A1	C3v
436	SiH3Cl	chlorosilane	1A1	C1
437	CH3Br	methyl bromide	1A1	C3v
438	GeH3F	monofluorogermane
439	GeH3Cl	monochlorogermane
440	NH3Cl+	protonated monochloroammonia
441	CH3ClH+	methyl chloride, protonated
442	NH4Cl	Ammonium chloride
443	LiNe+	Lithium Neon cation
444	Ar2	Argon diatomic	1Sg	D∞h
445	C3	carbon trimer	1Σg	D∞h
446	C3	carbon trimer	1A1	C2v
447	SiC2	Silicon dicarbide
448	C3H3	Propargyl radical	2B1	Cs
449	C3H4	cyclopropene	1A1	C2v
450	CH2CCH2	allene	1A1	D2d
451	CH3CCH	propyne	1A'	C3v
452	C3H5	Allyl radical	2A2	C2v
453	C3H6	Cyclopropane	1A1'	D3h
454	CH2CHCH3	Propene	1A'	Cs
455	C3H7	n-Propyl radical	2A"	C1
456	CH3CHCH3	Isopropyl radical	2A	C2
457	CH3CHCH3+	Isopropyl cation	1A	C2
458	C3H8	Propane	1A1	C2v
459	Si3H8	trisilane
460	LiCN	lithium cyanide	1Σ	C*V LiCN
461	KCN	Potassium cyanide	1Σ	C∞v
462	KCN	Potassium cyanide	1Σ	C∞v
463	KCN	Potassium cyanide	1A'	Cs
464	ZnCN	Zinc monocyanide	2Σ	C∞v
465	ZnNC	Zinc isocyanide	2Σ	C∞v
466	AlCN	Aluminum monocyanide
467	AlNC	Aluminum isocyanide
468	CNN	Diazocarbene
469	N3	azide radical	2Πg	D∞h
470	HN3	hydrogen azide	1A'	Cs
471	HN3+	Hydrazoic acid cation
472	HNCNH	diiminomethane	1A	C2
473	HNNNH+	1,2-Triazadienium
474	NH2NN+	hydrazoic acid, protonated
475	CH3CN	Acetonitrile	1A1	C3v
476	CH3CN-	acetonitrile anion	2E	C3v
477	CH3CN-	acetonitrile anion	2A'	Cs
478	CHNCH2	2H-Azirine
479	CHNHCH	1H-Azirine
480	H2CCNH	Ethenimine
481	H2CNCH	methyleneaminomethylene
482	HCCNH2	Ethynamine
483	HCNCH2+	2H-Azirine cation
484	NH2CNH+	cyanamide, cn protonated
485	NH3CN+	cyanamide, amine protonated
486	C2H5N	Aziridine	1A'	C1
487	C2H6N+	aziridine, protonated	1A1	C2v
488	CH3CH2NH2	Ethylamine	1A'	Cs
489	CH3CH2NH2	Ethylamine
490	CH3NHCH3	Dimethylamine	1A'	Cs
491	Li2O	dilithium oxide	1Σg	D∞h
492	Na2O	disodium monoxide	1Σg	Linear
493	Na2O	disodium monoxide	1A1	C2v
494	Na2S	Sodium sulfide
495	Na2S	Sodium sulfide
496	LiO2	Lithium dioxide
497	NaO2	Sodium superoxide
498	NCO	isocyanato radical	2Π	C∞v
499	BO2	Boron dioxide	2A'	D∞h
500	N2O	Nitrous oxide	1Σ	C∞v
501	CO2	Carbon dioxide	1Σg	D∞h
502	OCS	Carbonyl sulfide	1Σ	C∞v
503	SiO2	silicon dioxide	1Σg	D∞h
504	CS2	Carbon disulfide	1Σg	D∞h
505	GeO2	Germanium dioxide	1Σg	D∞h
506	OCSe	Carbonyl selenide	1Σ	C∞v
507	SCSe	Carbon sulfide selenide
508	NO2	Nitrogen dioxide	2A1	C2v
509	NSO	sulfinyl amidogen
510	PO2	Phosphorus dioxide	2A1	C2v
511	SNO	Nitrogen oxide sulfide
512	O3	Ozone	1A1	Cs
513	SO2	Sulfur dioxide	1A1	C2v
514	SSO	Disulfur monoxide	1A'	Cs
515	S3	Sulfur trimer	1A1	C2v
516	S3	Sulfur trimer
517	SeO2	Selenium dioxide	1A1	C2v
518	HCCO	ketenyl radical	2Π	C∞v
519	HCCO	ketenyl radical	2A"	Cs
520	HCNO	fulminic acid	1Σ	C∞v
521	HNCO	Isocyanic acid	1A'	Cs
522	HNCS	Isothiocyanic acid
523	HSCN	thiocyanic acid	1A'	Cs
524	HOCO	Hydrocarboxyl radical	1A'	cis
525	HOCO	Hydrocarboxyl radical	1A'	trans
526	HNO2	Nitrous acid	1A'	Cs
527	O3H+	protonated ozone	1A'	Cs
528	O3H+	protonated ozone
529	C2H2O	Oxirene	1A1	C2v
530	CH2CO	Ketene	1A1	C2v
531	CH2CS	Thioketene
532	Be(OH)2	Beryllium hydroxide
533	Be(OH)2	Beryllium hydroxide
534	H2COO	Dioxymethyl radical	2A'	Cs
535	H2COO+	dioxymethyl cation	2A'	Cs
536	HCOOH	Formic acid	1A'	Cs
537	HCOOH	Formic acid
538	BH3CO	Borane carbonyl	1A1	C3v
539	CH2COH+	ketene, protonated
540	CH3CO	Acetyl radical	2A'	Cs
541	CHONH2	formamide	1A'	Planar
542	HOCHNH	hydroxymethylimine	1A'	CS H all up
543	CHSNH2	thioformamide
544	NHCHSH	Methanimidothioic acid
545	C2H4O	Ethylene oxide	1A1	C2v
546	C2H4O+	ethylene oxide cation
547	CH3CHO	Acetaldehyde	1A'	Cs
548	CH3CHO+	acetaldehyde cation
549	H2COCH2+	Methyl, (methyleneoxoniumyl)-
550	C2H4S	Thiirane	1A1	C2v
551	CH2CHSH	Ethenethiol
552	CH3CHS	Thioacetaldehyde	1A'	C1
553	NH2CHOH+	Formamide, O-protonated
554	CH3OOH	Methyl peroxide	1A	C1
555	CH3SSH	Hydrogen methyl disulfide
556	HSCH2SH	Methanedithiol
557	C2H4OH+	ethylene oxide, protonated	1A'	Cs
558	CH3CH2O	Ethoxy radical	2A'	Cs
559	NH2CH2OH	aminomethanol
560	CH3CH2OH	Ethanol	1A'	Cs
561	CH3OCH3	Dimethyl ether	1A1	C2v
562	CH3CH2SH	ethanethiol	1A'	Cs
563	CH3CH2SH	ethanethiol	1A	C1
564	CH3SCH3	Dimethyl sulfide	1A1	C2v
565	CH3SCH3+	dimethyl sulfide cation
566	CNF	iso cyanogen fluoride	1Σ	C∞v
567	ClCN	chlorocyanogen	1Σ	C∞v
568	BrCN	Cyanogen bromide	1Σ	C∞v
569	FBO	Boron monofluoride monoxide
570	BeBr2	Beryllium bromide
571	CaBr2	Calcium dibromide
572	BF2	Boron difluoride radical	2A1	C2v
573	FNO	Nitrosyl fluoride	1A'	Cs
574	ClNO	Nitrosyl chloride	1A'	Cs
575	FSN	Thiazyl fluoride	1A'	Cs
576	OPCl	Phosphorus oxychloride
577	CF2	Difluoromethylene	1A1	D∞h
578	CFCl	chlorofluoromethylene	1A'	Cs
579	SiF2	Silicon difluoride	1A1	C2v
580	CCl2	dichloromethylene	1A1	C2v
581	SiCl2	Dichlorosilylene	1A1	C2v
582	GeCl2	Germanium dichloride	1A1	C2v
583	CBr2	dibromomethylene	1A1	C2v
584	CBr2	dibromomethylene	3B1	C2v
585	FOO	Dioxygen monofluoride radical	2A"	Cs
586	FOO+	Fluorine dioxide cation
587	ClOO	chloroperoxy radical	2A"	Cs
588	OClO	Chlorine dioxide	2B1	D∞h
589	OClO-	Chlorine dioxide anion	1A'	Cs
590	ClS2	Sulfur chloride	2A"	Cs
591	BrOO	Bromine dioxide
592	OBrO	Bromine dioxide radical	2B1	C2v
593	NF2	Difluoroamino radical	2B1	C2v
594	PF2	Phosphorus difluoride
595	PF2+	Phosphorus difluoride cation
596	FClO	chlorosyl fluoride	1A'	Cs
597	F2O	Difluorine monoxide	1A1	C2v
598	ClOF	Chlorine hypofluorite	1A'	Cs
599	SF2	sulfur difluoride	1A1	C2v
600	Cl2O	Dichlorine monoxide	1A1	C2v
601	SeF2	Selenium difluoride
602	SeCl2	Selenium Dichloride
603	SBr2	Sulfur dibromide
604	SeBr2	Selenium dibromide
605	Br3-	tribromide anion
606	SFCl	Sulfur chloride fluoride
607	HCCF	Fluoroacetylene	1Σ	C∞v
608	HCCBr	bromoacetylene	1Σ	C∞v
609	BHF2	Difluoroborane	1A1	C2v
610	BHCl2	Borane, dichloro-	1A1	C2v
611	CHF2	difluoromethyl radical	2A	Cs
612	CHF2+	difluoromethyl cation
613	CHFCl	Chlorofluoromethyl radical
614	CHFCl+	Chlorofluoromethyl cation
615	CHCl2+	dichloromethyl cation
616	CHBr2	dibromomethyl radical
617	NHF2	difluoramine
618	NHCl2	dichloroamine
619	CH2F2	Methane, difluoro-	1A1	C2v
620	SiH2F2	difluorosilane
621	CH2Cl2	Methylene chloride	1A1	C2v
622	CH2BrCl	Methane, bromochloro-	1A'	Cs
623	CH2Br2	dibromomethane	1A1	C2v
624	SiH2Cl2	dichlorosilane	1A1	C2v
625	CH3MgBr	Methyl Magnesium Bromide
626	CH2CHF	Ethene, fluoro-	1A'	Cs
627	C2H3Cl	Ethene, chloro-	1A'	Cs
628	C2H3Br	vinyl bromide	1A'	Cs
629	CH2FOH	fluoromethanol
630	CH2CH2Cl	2-chloroethyl radical	2A'	Cs
631	CHClCH3	1-chloroethyl radical	2A	C1
632	CH3CH2Cl	Ethyl chloride	1A'	Cs
633	C2H5Br	Ethyl bromide	1A'	Cs
634	C4	Carbon tetramer	3Σg	D∞h
635	C4	Carbon tetramer
636	C4H2	Diacetylene	1Σg	D∞h
637	C4H2+	diacetlyene cation	2Πg	D∞h
638	C2H3CCH	1-Buten-3-yne	1A'	C1
639	C4H4	Tetrahedrane
640	H2CCCCH2	Butatriene	1Ag	D2h
641	C4H6	1-Methylcyclopropene	1A	C1
642	C4H6	Cyclobutene	1A1	C2v
643	C4H6	Methylenecyclopropane	1A1	C2v
644	CH2CCHCH3	1,2-Butadiene	1A'	C1
645	CH2CHCHCH2	1,3-Butadiene	1Ag	C2h
646	CH3CCCH3	2-Butyne	1A1'	D3h
647	CHCCH2CH3	1-Butyne	1A'	Cs
648	CH2C(CH3)CH3	1-Propene, 2-methyl-	1A1	C2v
649	CH2CHCH2CH3	1-Butene	1A	C1
650	CH3CHCHCH3	2-Butene, (E)-	1Ag	C2h
651	CH3CHCHCH3	2-Butene, (Z)-	1A1	C2v
652	C(CH3)3	Tert-butyl radical	2A"	C3v
653	CH2CH(CH3)2	Isobutyl radical	2A'	C1
654	CH3CHCH2CH3	2-Butyl radical	1A	C1
655	CH3CH(CH3)CH3	Isobutane	1A1	C3v
656	CH3CH2CH2CH3	Butane	1Ag	Anti
657	C2N2	Cyanogen	1Σg	D∞h
658	P4	Phosphorus tetramer	1A1	Td
659	As4	Arsenic tetramer	1A1	Td
660	HCCCN+	Cyanoacetylene cation	2Π	C∞v
661	H2CNCN	cyanamide, methylene
662	HNCCNH	Ethenediimine
663	C3H3N	acrylonitrile	1A'	Cs
664	C2H5CN	ethyl cyanide	1A'	Cs
665	C4H6	Bicyclo[1.1.0]butane	1A1	C2v
666	H2NCHCHNH2	diaminoethylene
667	C3H7N	Cyclopropylamine	1A'	C1
668	CH7N3	triaminomethane
669	C4H8	cyclobutane	1A1	D2d
670	C2H8N2	Ethylenediamine	1Ag	C2h
671	CH3CH(NH2)CH3	2-Propanamine	1A'	Cs
672	N(CH3)3	Trimethylamine	1A1	C3v
673	NH2CH2CH2CH3	1-Propanamine	1A'	Cs
674	N(SiH3)3	trisilylamine
675	K2O2	dipotassium dioxide
676	B2O2	Diboron dioxide	1Σg	D∞h
677	ONNO	NO dimer	1Ag	trans C2H
678	ONNO	NO dimer	1A1	cis C2V
679	S2N2	Disulfur dinitride	1AG	D2h
680	CS3--	Carbonotrithioate
681	NO3	Nitrogen trioxide	2A1'	all bonds equal
682	SO3	Sulfur trioxide	1A1'	D3h
683	SO3--	Sulfate dianion
684	S4	Sulfur tetramer
685	S4	Sulfur tetramer
686	S4	Sulfur tetramer
687	HNO3	Nitric acid	1A'	Cs
688	C3H2O	Propadienal
689	C3H2O	Propadienal
690	C2H2O2	Ethanedial	1Ag	C2h
691	C2H3NO	Nitrosoethylene
692	CH3NCO	methylisocyante
693	HOCH2CN	cyanomethanol
694	CH3NO2	Methane, nitro-	1A'	Cs
695	CH3ONO	Methyl nitrite	1A'	C1
696	H3AlO3	Aluminum hydroxide
697	C3H4O	Cyclopropanone	1A1	C2v
698	CH2CHCHO	Acrolein	1A'	Cs
699	CH2CHCHO	Acrolein
700	NH2CONH2	Urea	1A	C2
701	NH2CSNH2	Thiourea	1A	C2
702	CH3COOH	Acetic acid	1A'	Cs
703	CH3OCHO	methyl formate	1A'	Cs
704	CH2C(OH)NH2	1-amino vinyl alchohol
705	CH3C(OH)=NH	Ethaninidic acid
706	CH3CHNOH	Acetaldoxime	1A'	CS trans
707	CH3CONH2	Acetamide	1A'	C1
708	CH3CSNH2	Ethanethioamide
709	C3H6O	2-Propen-1-ol	1A	C1
710	C3H6O	Acetone enol	1A'	Cs
711	C3H6O	Oxetane	1A1	C2v
712	C3H6O	Propylene oxide	1A	C1
713	CH3CH2CHO	Propanal	1A'	Cs
714	CH3COCH3	Acetone	1A1	C2v
715	C3H6S	Thietane	1A'	Cs
716	C3H6S	Thiirane, methyl-	1A	C1
717	C2H6O2	1,2-Ethanediol	1Ag	C2h
718	CH3SOCH3	Dimethyl sulfoxide	1A'	Cs
719	CH2SHCH2SH	1,2-Ethanedithiol	1Ag	C2h
720	CH3SSCH3	Disulfide, dimethyl	1A	C2
721	C3H7OH	1-Propanol	1A'	Cs
722	C3H7OH	1-Propanol
723	CH3CHOHCH3	Isopropyl alcohol	1A	C1
724	CH3OC2H5	Ethane, methoxy-	1A'	Cs
725	C3H7SH	1-Propanethiol	1A'	Cs
726	CH3CHSHCH3	2-Propanethiol	1A'	Cs
727	CH3SCH2CH3	Ethane, (methylthio)-	1A'	Cs
728	Li2F2	Lithium fluoride dimer
729	Na2Cl2	Disodium dichloride	1Ag	C2h
730	C2Cl2	dichloroacetylene	1Σg	C2h
731	ClNO2	Nitryl chloride	1A1	C2v
732	N2F2	(Z)-Difluorodiazene	1A1	C2v
733	N2F2	Dinitrogen difluoride, (E)-	1Ag	C2h
734	CF2O	Carbonic difluoride	1A1	C2v
735	CF2O+	Carbonic difluoride cation
736	CCl2O	Phosgene	1A1	C2v
737	BF3	Borane, trifluoro-	1A'	D3h
738	BF3+	boron trifluoride cation
739	AlF3	Aluminum trifluoride	1A1'	D3h
740	BClF2	Chlorodifluoroborane
741	AlF2Cl	Aluminum chloride difluoride	1A1	C2v
742	AlFCl2	Aluminum dichloride fluoride	1A1	C2v
743	BCl3	Borane, trichloro-	1A1'	D3h
744	BCl3+	Boron Trichloride cation
745	GaF3	Gallium trifluoride	1A1'	D3h
746	AlCl3	Aluminum trichloride	1A1'	D3h
747	GaCl3	Gallium trichloride	1A1'	D3h
748	CF3	Trifluoromethyl radical	2A1	C3v
749	CF2Cl	difluorochloromethyl radical
750	CFCl2	dichlorofluoromethyl radical
751	CCl3	Trichloromethyl radical	2A1	C3
752	CBr3	tribromomethyl radical
753	ClO2F	Chloryl fluoride	1A'	Cs
754	SSCl2	Thiothionyl chloride
755	NF3	Nitrogen trifluoride	1A1	C3v
756	PF3	Phosphorus trifluoride	1A1	C3v
757	NCl3	nitrogen trichloride	1A1	C3v
758	PCl3	Phosphorus trichloride	1A1	C3v
759	NBr3	Nitrogen Tribromide	1A1	C3v
760	ClSSCl	Disulfur dichloride	1A	C2
761	ClF3	Chlorine trifluoride	1A1'	D3h
762	BrF3	Bromine trifluoride	1A1	C2v
763	HClO3	Chloric Acid	1A'	Cs
764	HClO3	Chloric Acid	1A	C1
765	CHF3	Methane, trifluoro-	1A1	C3v
766	SiHF3	trifluorosilane
767	CHCl3	Chloroform	1A1	C3v
768	CHBrF2	Methane, bromodifluoro-	1A'	Cs
769	SiHCl3	Trichlorosilane	1A1	C3v
770	CHFClBr	fluorochlorobromomethane	1A	C1
771	CHBrCl2	Methane, bromodichloro-	1A'	Cs
772	CHBr2F	dibromofluoromethane
773	AsF3H+	Arsenic trifluoride, protonated
774	CH2CF2	Ethene, 1,1-difluoro-	1A1	C2v
775	C2H2ClF	1-chloro-1-fluoroethylene	1A'	Cs
776	CHFCHCl	(E)-1-chloro-2-fluoroethene	1A'	Cs
777	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	1A'	Cs
778	CH2CCl2	Ethene, 1,1-dichloro-	1A1	C2v
779	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	1Ag	C2h
780	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	1A1	C2v
781	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
782	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
783	CH3COF	Acetyl fluoride	1A'	NULL
784	CH3COCl	Acetyl Chloride	1A'	Cs
785	C2H4F2	1,2-difluoroethane	1Ag	C2H anti
786	C2H4F2	1,2-difluoroethane	1A	C2 gauche
787	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
788	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	1A	C1
789	CH2ClCH2Cl	Ethane, 1,2-dichloro-	1Ag	C2h
790	CH3CHCl2	Ethane, 1,1-dichloro-	1A'	Cs
791	CH2BrCH2Cl	1-bromo-2-chloroethane
792	CH2BrCH2Br	Ethane, 1,2-dibromo-	1Ag	C2h
793	CH2BrCH2Br	Ethane, 1,2-dibromo-	1A	C2
794	CH2CHCH2F	Allyl Fluoride
795	CH2CHCH2F	Allyl Fluoride
796	CH3CHCHF	trans-1-Fluoro-1-propene
797	CH2FCH2OH	2-fluoroethanol
798	CH2FCH2CH3	1-Fluoropropane	1A'	Cs
799	CH2FCH2CH3	1-Fluoropropane
800	CH3CHFCH3	2-Fluoropropane	1A'	Cs
801	CH2ClCH2CH3	Propane, 1-chloro-	1A'	anti
802	CH3CHClCH3	Propane, 2-chloro-	1A'	Cs
803	B5H9	pentaborane9
804	C5H4	pentatetraene
805	C5H6	1,3-Cyclopentadiene	1A1	C2v
806	C5H6	1-Buten-3-yne, 2-methyl-	1A'	Cs
807	C5H6	3-Penten-1-yne, (E)-	1A'	Cs
808	C5H6	3-Penten-1-yne, (Z)-	1A'	Cs
809	C5H6	Bicyclo[2.1.0]pent-2-ene	1A'	Cs
810	C5H6	Cyclopropylacetylene	1A'	C1
811	C5H6	Propellane	1A1	D3h
812	C5H8	1,2-Butadiene, 3-methyl-	1A1	C2v
813	C5H8	1,2-Pentadiene	1A'	C1
814	C5H8	1,3-Butadiene, 2-methyl-	1A'	Cs
815	C5H8	1,3-Pentadiene, (E)-	1A'	C1
816	C5H8	1,3-Pentadiene, (Z)-	1A'	Cs
817	C5H8	1,4-Pentadiene	1A	C2
818	C5H8	2,3-Pentadiene	1A	C1
819	C5H8	Bicyclo[1.1.1]pentane
820	C5H8	Cyclobutane, methylene-	1A'	Cs
821	C5H8	Cyclopentene	1A'	Cs
822	C5H8	Ethenylcyclopropane	1A'	Cs
823	C5H10	1-Butene, 2-methyl-	1A	C1
824	C5H10	2-Butene, 2-methyl-	1A'	Cs
825	C5H10	2-Pentene, (E)-	1A'	Cs
826	C5H10	2-Pentene, (Z)-	1A	C1
827	C5H10	Cyclopentane	1A	C1
828	C5H10	Cyclopropane, 1,1-dimethyl-	1A1	C1
829	C5H11	2-Methylbut-2-yl radical	1A	C1
830	C5H12	Butane, 2-methyl-	1A	C1
831	C5H12	Pentane	1A1	C2v
832	C5H12	Propane, 2,2-dimethyl-	1A1	Td
833	N2O3	Dinitrogen trioxide	1A'	Cs
834	C3H2N2	Malononitrile	1A1	Cs
835	CH2N4	1H-Tetrazole	1A'	Cs
836	C3H4N2	1H-Imidazole	1A'	Cs
837	C3H4N2	1H-Pyrazole	1A'	Cs
838	C3H4N2	2H-Imidazole	1A1	C2v
839	C4H5N	(E)-2-Butenenitrile	1A'	Cs
840	C4H5N	(Z)-2-Butenenitrile	1A'	Cs
841	C4H5N	Cyclopropanecarbonitrile	1A'	Cs
842	C4H5N	Pyrrole	1A1	C2v
843	C3H6N2	3-Aminopropionitrile	1A'	Cs
844	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	1A'	Cs
845	CH3CH2CH2CN	Butanenitrile	1A'	Cs
846	C5H8	Bicyclo[2.1.0]pentane	1A'	Cs
847	C5H8	Spiropentane	1A1	D2d
848	C4H9N	Cyclobutylamine	1A'	Cs
849	C4H9N	Pyrrolidine	1A'	Cs
850	C3H10N2	1,2-Diaminopropane	1A	C1
851	C(CH3)3NH2	2-Propanamine, 2-methyl-	1A	C1
852	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	1A	C1
853	C(NH2)H2CH2CH2CH3	1-Butanamine	1A'	Cs
854	CH3C(NH2)HCH2CH3	2-Butanamine	1A	C1
855	C3O2	Carbon suboxide	1ΣG	D∞h
856	B2O3	diboron trioxide
857	B2O3	diboron trioxide
858	CHOOCHO	diformyl ether
859	H2SO4	Sulfuric acid	1A	C1
860	C3H3NO	Isoxazole	1A'	Cs
861	C3H3NO	Oxazole	1A'	Cs
862	C3H3NS	Thiazole
863	CH3NO3	Methyl nitrate	1A'	Cs
864	C4H4O	Furan	1A1	C2
865	CH3COCCH	3-butyn-2-one	1A'	Cs
866	C4H4S	Thiophene	1A1	C2v
867	C4H4Se	selenophene
868	C3H4O2	β–Propiolactone	1A'	Cs
869	C3H4O2	2-Propenoic acid	1A'	Cs
870	CH2CHCONH2	Acrylamide	1A	Cs
871	CH3OCH2CN	Methoxyacetonitrile	1A'	Cs
872	CH5N3S	Hydrazinecarbothioamide	1A	C1
873	H2NCH2COOH	Glycine	1A'	Cs
874	C4H6O	Cyclobutanone	1A1	C2v
875	C4H6O	Furan, 2,3-dihydro-	1A	C1
876	CH2CHOCHCH2	Vinyl ether	1A1	C2v
877	CHOCHCHCH3	2-Butenal	1A'	Cs
878	C4H6S	Thiophene, 2,3-dihydro-	1A	C1
879	C4H6S	Thiophene, 2,5-dihydro-	1A1	C2v
880	CH2CHSCHCH2	Divinyl sulfide	1A	C2v
881	C2H6N2O	Urea, methyl-	1A	C1
882	C3H6O2	1,3-Dioxolane	1A	C2
883	C3H6O2	1,3-Dioxolane	1A	C1
884	CH3COOCH3	methyl acetate	1A'	Cs
885	HCOOC2H5	Ethyl formate	1A'	Cs
886	C2H6O2S	Dimethyl sulfone	1A1	C2v
887	C3H7NO	Propanamide	1A'	C1
888	C2H3OC2H5	Ethene, ethoxy-	1A	C1
889	C4H8O	Cyclobutanol	1A'	C1
890	C4H8O	Furan, tetrahydro-	1A	C2
891	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	1A	C1
892	CH3COCH2CH3	2-Butanone	1A'	Cs
893	CH3COCH2CH3	2-Butanone	1A	C1
894	CHOCH(CH3)CH3	Propanal, 2-methyl-	1A'	Cs
895	CHOCH2CH2CH3	Butanal	1A'	Cs
896	C4H8S	Thiophene, tetrahydro-	1A	C1
897	C3H8O2	1,3-Propanediol	1A1	C1
898	C3H8O2	Hydroperoxide, 1-methylethyl	1A	C1
899	C3H8O2	Methane, dimethoxy-	1A	C2
900	C3H8O2	Propylene glycol	1A	C1
901	C3H8S2	1,3-Propanedithiol	1A1	C1
902	C4H10O	1-Butanol	1A'	Cs
903	C4H10O	1-Propanol, 2-methyl-	1A	C1
904	C4H10O	2-Butanol, (.+/-.)-	1A	C1
905	C4H10O	Ethanol, 1,1-dimethyl-	1A'	Cs
906	C4H10O	Ethanol, 1,1-dimethyl-	1A	C1
907	C4H10O	Ethoxy ethane	1A1	C2v
908	C4H10O	Methyl propyl ether	1A	C1
909	C4H10O	Propane, 2-methoxy-	1A'	Cs
910	C(CH3)3SH	2-Propanethiol, 2-methyl-	1A'	Cs
911	C2H5SC2H5	Diethyl sulfide	1A1	C2v
912	C4H9SH	1-Butanethiol
913	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	1A	C1
914	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	1A	C1
915	CH3CH(SH)CH2CH3	2-Butanethiol	1A	C1
916	FNO3	Fluorine nitrate	1A'	Cs
917	TiCl4	Titanium tetrachloride	1A1	Td
918	ClFO3	Perchloryl fluoride	1A1	Cs
919	SO2Cl2	Sulfuryl chloride	1A1	C2v
920	F3NO	Nitrogen trifluoride oxide	1A1	C3v
921	F3PO	Phosphoryl fluoride	1A1	C3v
922	Cl3PO	Phosphoryl chloride	1A1	C3v
923	CF4	Carbon tetrafluoride	1A1	Td
924	CF3Cl	Methane, chlorotrifluoro-	1A1	C3v
925	SiF4	Silicon tetrafluoride	1A1	Td
926	CF2Cl2	difluorodichloromethane	1A1	C2v
927	CFCl3	Trichloromonofluoromethane	1A1	C3v
928	CF3Br	Bromotrifluoromethane	1A1	C3v
929	GeF4	Germanium tetrafluoride	1A1	Td
930	CCl4	Carbon tetrachloride	1A1	Td
931	SiCl4	Silane, tetrachloro-	1A1	Td
932	CBrCl2F	bromodichlorofluoromethane
933	CBr2ClF	dibromochlorofluoromethane
934	CBr2Cl2	dibromodichloromethane	1A1	C2v
935	CBr3Cl	tribromochloromethane	1A1	C3v
936	CBr4	Carbon tetrabromide	1A1	Td
937	GeBr4	Germanium tetrabromide
938	SF4	Sulfur tetrafluoride	1A1	C2v
939	SeF4	Selenium tetrafluoride
940	SCl4	Sulfur tetrachloride
941	CHClCCl2	Trichloroethylene	1A'	Cs
942	HSO3F	Fluorosulfonic acid	1A	C1
943	CH2ClCCCl	1,3-dichloropropyne
944	CHCl2CCH	3,3-dichloropropyne
945	CHCl2CHO	dichloroacetaldehyde
946	CH3CF3	Ethane, 1,1,1-trifluoro-	1A1	C3v
947	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A	C1
948	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A'	Cs
949	CH2ClCHCl2	1,1,2-trichloroethane	1A	C1
950	CH3CCl3	Ethane, 1,1,1-trichloro-	1A1	C3v
951	CH2CClCHCH2	1,3-Butadiene, 2-chloro-
952	C3H5ClO	Oxirane, (chloromethyl)-	1A	C1
953	CH2FCH2CH2F	1,3-difluoropropane
954	CH2ClCHClCH3	Propane, 1,2-dichloro-	1A	C1
955	CH3CCl2CH3	Propane, 2,2-dichloro-	1A1	C2v
956	CH2CClCH2CH3	1-Butene, 2-chloro-	1A'	Cs
957	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	1A	C1
958	CH2CHCHClCH3	1-Butene, 3-chloro-	1A	C1
959	CH2ClCHCHCH3	2-Butene, 1-chloro-	1A'	Cs
960	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	1A'	Cs
961	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	1A'	Cs
962	CHClCHCH2CH3	(E)-1-Chloro-1-butene	1A	C1
963	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	1A'	Cs
964	CH2ClCH2CH2CH3	Butane, 1-chloro-	1A'	Cs
965	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	1A1	C3v
966	CH3CHClCH2CH3	Butane, 2-chloro-	1A	C1
967	C2H2N2O	Furazan
968	C6H4	(E)-Hexa-1,5-diyne-3-ene	1Ag	Cs
969	C6H4	(Z)-Hexa-1,5-diyne-3-ene	1A1	C2v
970	C6H5	phenyl	2A1	C2v
971	C6H6	Prismane
972	C6H6	1,2,4,5-Hexatetraene	1Ag	C2h
973	C6H6	2,4-Hexadiyne	1A1'	D3h
974	C6H6	Benzene	1A1g	D6h
975	C6H6	Benzvalene	1A1	C2v
976	C6H6	Dewar Benzene
977	C6H8	(E)-hexa-1,3,5-triene	1Ag	Cs
978	C6H8	(E)-hexa-2,3,4-triene	1A'	C2h
979	C6H8	(Z)-hexa-1,3,5-triene	1A1	C2v
980	C6H8	(Z)-hexa-2,3,4-triene	1A1	C2v
981	C6H8	1,3-Cyclohexadiene	1A	C2
982	C6H8	1,4-Cyclohexadiene	1Ag	C2v
983	C6H8	3-Methylenecyclopentene	1A	C1
984	C6H8	Bicyclo[2.1.1]hex-2-ene	1A1	C2v
985	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	1Ag	D2h
986	C6H8	Bicyclo[3.1.0]hex-2-ene	1A	C1
987	C6H10	1,3-Hexadiene, (E)-	1A'	Cs
988	C6H10	1,3-Hexadiene, (Z)-	1A'	Cs
989	C6H10	1,4-Hexadiene, (E)-	1A	C1
990	C6H10	1,4-Hexadiene, (Z)-	1A	C1
991	C6H10	1,5-Hexadiene	1Ag	C2
992	C6H10	1-Butyne, 3,3-dimethyl-	1A1	C3v
993	C6H10	1-Hexyne	1A'	Cs
994	C6H10	2,4-Hexadiene, (E,E)-	1Ag	C2h
995	C6H10	2,4-Hexadiene, (E,Z)-	1A'	Cs
996	C6H10	2,4-Hexadiene, (Z,Z)-	1A'	Cs
997	C6H10	2-Hexyne	1A'	C1
998	C6H10	3-Hexyne	1A1	C2v
999	C6H10	cyclohexene	1A	C2
1000	C6H10	Cyclopentene, 1-methyl-	1A	C1
1001	C6H10	Cyclopentene, 3-methyl-	1A	C1
1002	C6H10	Cyclopentene, 4-methyl-	1A	C1
1003	C6H12	(E)-3-methylpent-2-ene	1A	C1
1004	C6H12	(Z)-3-methylpent-2-ene	1A	C1
1005	C6H12	2,3-dimethylbut-1-ene	1A'	C2
1006	C6H12	2,3-dimethyl-but-2-ene	1A	C1
1007	C6H12	3-methylenepentane	1A	C1
1008	C6H12	Cyclohexane	1A1g	Chair
1009	C6H12	Cyclopentane, methyl-	1A	C1
1010	C6H12	Ethylcyclobutane	1A	C1
1011	C6H12	hex-1-ene	1A'	Cs
1012	C6H14	Butane, 2,2-dimethyl-	1A'	C1
1013	C6H14	Butane, 2,3-dimethyl-	1Ag	C2h
1014	C6H14	Hexane	1Ag	C2h
1015	C6H14	Pentane, 2-methyl-	1A	C1
1016	C6H14	Pentane, 3-methyl-	1A'	Cs
1017	C4N2	2-Butynedinitrile	1Σg	D∞h
1018	N3P3	1,3,5,2,4,6-Triazatriphosphorine
1019	C4H2N2	Fumaronitrile	1Ag	C2h
1020	C3H3N3	1,3,5-Triazine	1A1'	D3h
1021	CH3N5	5-Aminotetrazole	1A	C1
1022	C4H4N2	1,3-Diazine	1A1	C2v
1023	C4H4N2	Pyrazine	1Ag	D2h
1024	C4H4N2	Pyridazine	1A1	C2v
1025	C4H4N2	Succinonitrile	1Ag	C2h
1026	C2H4N4	1H-Tetrazole, 1-methyl-	1A'	Cs
1027	C2H4N4	1H-Tetrazole, 5-methyl-	1A'	C1
1028	C2H4N4	2H-Tetrazole, 2-methyl-	1A	C1
1029	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	1A'	Cs
1030	C5H5N	Pyridine	1A1	C2v
1031	C6H6	Fulvene	1A1	C2v
1032	C4H6N2	1H-Imidazole, 2-methyl-	1A'	Cs
1033	C5H7N	(E)-2-Pentenenitrile	1A'	Cs
1034	C5H7N	(E)-3-Pentenenitrile	1A	C1
1035	C5H7N	(Z)-2-Pentenenitrile	1A	C1
1036	C5H7N	1H-Pyrrole, 1-methyl-	1A	C1
1037	C5H7N	Cyclobutanecarbonitrile	1A'	Cs
1038	C5H9N	1,2,3,6-Tetrahydropyridine	1A	C1
1039	C5H9N	Butanenitrile, 2-methyl-	1A	C1
1040	C5H9N	Pentanenitrile	1A'	Cs
1041	C5H9N	Propanenitrile, 2,2-dimethyl-	1A1	C1
1042	C6H10	Bicyclo[3.1.0]hexane	1A'	Cs
1043	C5H11N	Cyclopentanamine	1A'	Cs
1044	C5H11N	Piperidine	1A'	NH equatorial
1045	C4H12N2	1,2-Butanediamine	1A	C1
1046	C4H12N2	2-Methyl-1,2-propanediamine	1A'	C1
1047	N2O4	Dinitrogen tetroxide	1Ag	D2d
1048	C3H2O3	vinylene carbonate
1049	C2H3NO3	Oxamic acid	1A'	H out
1050	C4H4O2	2-Oxetanone, 4-methylene-	1A	C1
1051	C2H4N2O2	Oxalamide	1Ag	C2h
1052	C2H4N2S2	Ethanedithioamide	1AG	C2h
1053	C3H4O2S	2H-Thiete-1,1-dioxide	1A'	C1
1054	C3H4S3	1,3-Dithiolane-2-thione	1A	C1
1055	C4H5NO	3-Methylisoxazole	1A	C1
1056	C4H5NO	Isoxazole, 5-methyl-	1A	C1
1057	C4H5NS	4-Methylthiazole	1A	C1
1058	C2H5NO3	Nitric acid, ethyl ester	1A'	C1
1059	C5H6O	2H-Pyran
1060	C5H6O	Pentadienal
1061	C5H6S	Thiophene, 2-methyl-	1A'	Cs
1062	C5H6S	Thiophene, 3-methyl-	1A'	Cs
1063	C4H6O2	γ–Butyrolactone	1A	C1
1064	C4H6O2	2,3-Butanedione	1Ag	C2h
1065	C4H6O2	2-Propenoic acid, methyl ester	1A	C1
1066	C4H6OS	Dihydro-2-(3H)-thiophenone	1A	C1
1067	C4H6OS	Dihydro-3-(2H)-thiophenone	1A	C1
1068	C4H6OS	Vinyl sulfoxide	1A'	Cs
1069	CH6N4S	Carbonothioic dihydrazide	1A	C2
1070	C2H6N2O2	(E)-Azodioxymethane	1Ag	C2h
1071	C2H6N2O2	Dimethylnitroamine	1A	C1
1072	C3H6O3	1,3,5-Trioxane	1A1	C1
1073	C3H6S3	Carbonotrithioic acid, dimethyl ester	1A1	C1
1074	C2H6O3S	Sulfurous acid, dimethyl ester	1A'	C1
1075	C4H7NO	2-Pyrrolidinone	1A	C1
1076	C4H7NO	Ethoxyacetonitrile	1A'	Cs
1077	C4H7NO	Methacrylamide	1A	C1
1078	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	1A'	C1
1079	C3H7ONO	Propyl nitrite	1A'	Cs
1080	CH3CH(CH3)ONO	Isopropyl nitrite	1A	C1
1081	CH3CH(NH2)COOH	Alanine	1A	C1
1082	CH3NHCH2COOH	Sarcosine	1A	C1
1083	NH2CH2CH2COOH	β–alanine	1A	C1
1084	NH2COOC2H5	Urethane	1A	C1
1085	C5H8O	2H-Pyran, 3,4-dihydro-	1A	C1
1086	C5H8O	Cyclopentanone	1A	C2
1087	C5H8O	Furan, 2,3-dihydro-5-methyl-	1A	C1
1088	C5H8O	Methyl cyclopropyl ketone	1A'	Cs
1089	N(CH3)2CONH2	Urea, N,N-dimethyl-	1A	C1
1090	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	1A	C2
1091	NH2CONHC2H5	Urea, ethyl-	1A	C1
1092	C4H8O2	1,3-Dioxane	1A'	Cs
1093	C4H8O2	1,3-Dioxolane, 2-methyl-	1A	C1
1094	C4H8O2	1,4-Dioxane	1Ag	C2h
1095	C4H8O2	Ethene, 1,1-dimethoxy-	1A1	C2v
1096	C4H8O2	Ethyl acetate	1A'	Cs
1097	C4H8OS	s-Ethyl thioacetate	1A	C1
1098	C3H8O3	1,2,3-Propanetriol	1A	C1
1099	C3H8O2S	(Methylsulfonyl)ethane	1A	C1
1100	C4H9NO	Butanamide	1A	C1
1101	C4H9NO	Propanamide, 2-methyl-	1A	C1
1102	C5H10O	2-Butanone, 3-methyl-	1A	C1
1103	C5H10O	2H-Pyran, tetrahydro-	1A'	C1
1104	C5H10O	2-Pentanone	1A'	Cs
1105	C5H10O	3-Pentanone	1A1	C2v
1106	C5H10O	Cyclopentanol	1A	C1
1107	C5H10O	Oxetane, 3,3-dimethyl-	1A'	Cs
1108	C5H10S	2H-Thiopyran, tetrahydro-	1A'	Cs
1109	C5H10S	3-Ethylthio-1-propene	1A'	C1
1110	C5H10S	Cyclopentanethiol	1A	C1
1111	C5H10S	Thiophene, tetrahydro-2-methyl-	1A	C1
1112	C5H10S	Thiophene, tetrahydro-3-methyl-	1A	C1
1113	C4H10O2	1,1-Dimethoxyethane	1A'	Cs
1114	C4H10O2	1,3-Butanediol	1A	C1
1115	C4H10O2	1,4-Butanediol	1Ag	C2h
1116	C4H10O2	Ethane, 1,2-dimethoxy-	1Ag	C2h
1117	C4H10OS	Diethyl sulfoxide	1A	C1
1118	C4H10S2	1,4-Butanedithiol	1Ag	C2h
1119	C4H11NO	Diethylhydroxylamine	1A'	Cs
1120	C5H12O	1-Butanol, 2-methyl-	1A	C1
1121	C5H12O	1-Butanol, 3-methyl-	1A'	Cs
1122	C5H12O	1-Pentanol	1A'	Cs
1123	C5H12O	2-Butanol, 3-methyl-	1A	C1
1124	C5H12O	2-Pentanol	1A	C1
1125	C5H12O	Butane, 1-methoxy-	1A'	Cs
1126	C5H12O	Propane, 1-ethoxy-	1A'	Cs
1127	C5H12O	Propane, 2-methoxy-2-methyl-	1A'	C1
1128	C5H12S	1-Butanethiol, 2-methyl-	1A	C1
1129	C5H12S	1-Butanethiol, 3-methyl-	1A'	C1
1130	C5H12S	1-Pentanethiol	1A'	C1
1131	C5H12S	1-Propanethiol, 2,2-dimethyl-	1A'	C1
1132	C5H12S	1-Propanethiol, 2,2-dimethyl-
1133	C5H12S	2-Butanethiol, 3-methyl-	1A	C1
1134	C5H12S	Butane, 1-(methylthio)-	1A'	Cs
1135	C5H12S	Ethyl propyl sulfide	1A'	Cs
1136	C5H12S	Propane, 2-(ethylthio)-	1A'	C1
1137	C5H12S	Propane, 2-methyl-2-(methylthio)-	1A'	C1
1138	C4F2	difluorobutadiyne
1139	CF3CN	Acetonitrile, trifluoro-	1A1	C3v
1140	B2F4	Diboron tetrafluoride	1AG	D2h
1141	B2F4	Diboron tetrafluoride	1A	D2
1142	B2Cl4	Diboron tetrachloride	1A1	D2
1143	C2F4	Tetrafluoroethylene	1Ag	D2h
1144	C2ClF3	Ethene, chlorotrifluoro-
1145	C2Cl4	Tetrachloroethylene	1Ag	D2h
1146	C2Br4	tetrabromoethene
1147	SiF5-	silicon pentafluoride anion
1148	PF5	Phosphorus pentafluoride	1A1'	D3h
1149	PCl5	Phosphorus pentachloride	1A1'	C4v
1150	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
1151	CH2BrCBr3	1,1,1,2-tetrabromo ethane
1152	C3H5ClO2	Carbonochloridic acid, ethyl ester	1A	C1
1153	C3H5Cl3	Propane, 1,2,3-trichloro-	1A'	Cs
1154	C4H8Cl2	1,4-Dichlorobutane	1Ag	C2h
1155	C4H8Cl2	Butane, 1,2-dichloro-	1A	C1
1156	C4H8Cl2	Butane, 1,3-dichloro-	1A	C1
1157	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	1A	C2
1158	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	1Ag	Ci
1159	C4H9ClO	1-Chloro-2-ethoxyethane	1A'	Cs
1160	C5H11Cl	Pentane, 1-chloro-	1A'	Cs
1161	C7H7	cycloheptatrienyl radical	2A2	C2v
1162	C7H7+	cycloheptatrienyl cation	1A1'	D7h
1163	C6H5CH3	toluene	1A'	Cs
1164	CH(CN)3	tricyanomethane
1165	HN=C=C(CN)2	Dicyanoketenimine
1166	C6H5NH2	aniline	1A'	Cs
1167	C5H4O2	furfural	1A'	OCCO cis
1168	C5H4O2	furfural	1A'	OCCO trans
1169	C6H5OH	phenol	1A'	Cs
1170	C6H12O	Oxepane
1171	F2CCCF2	tetrafluoroallene
1172	SF6	Sulfur Hexafluoride	1A1G	Oh
1173	C6H5F	Fluorobenzene	1A1	C2v
1174	C6H5Cl	chlorobenzene	1A1	C2v
1175	C6H5CHCH2	Styrene	1A'	Cs
1176	C8H8	cubane	1A1G	Oh
1177	C8H8	cyclooctatetraene	1A1	D2d
1178	C6H5CH2CH3	Ethylbenzene	1A'	Cs
1179	S4N4	Tetrasulfur tetranitride
1180	S8	Octasulfur	1A1	D4d
1181	C6H5CHO	benzaldehyde	1A'	Cs
1182	C6H5OCH3	Anisole	1A'	Cs
1183	C6H4F2	1,4-difluorobenzene	1Ag	D2h
1184	C6H4Cl2	1,4-dichlorobenzene
1185	C6H5NO	nitrosobenzene	1A'	Cs
1186	C6H5NO2	Nitrobenzene	1A1	C2v
1187	C3F6	hexafluoropropene
1188	C8H18O	1-Octanol
1189	C10H8	naphthalene	1Ag	D2h
1190	C10H10	bullvalene
1191	C10H16	adamantane	1A1	Td
1192	B12H12--	Dodecahydrododecaborate(2-)
1193	C13H10	Fluorene
1194	C14H14	Bibenzyl	1A	C2

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 diatomic anion	h2-
5	H2+	Hydrogen cation	h2+
6	H3+	hydrogen trimer cation	h3+
7	He-	Helium atom anion	he-
8	HeH	Helium hydride	heh
9	Li-	Lithium atom anion	li-
10	Na-	Sodium atom anion	na-
11	K-	Potassium atom anion	k-
12	K+	Potassium atom cation	k+
13	Cu-	Copper atom anion	cu-
14	Cu+	Copper atom cation	cu+
15	LiH-	lithium hydride anion	lih-
16	LiH+	lithium hydride cation	lih+
17	NaH-	sodium hydride anion	nah-
18	NaH+	sodium hydride cation	nah+
19	KH+	Potassium hydrogen cation	kh+
20	CuH	Copper monohydride	cuh
21	Be-	Beryllium atom anion	be-
22	Mg-	Magnesium atom anion	mg-
23	Ca	Calcium atom	ca
24	Ca-	Calcium atom anion	ca-
25	Ca+	Calcium atom cation	ca+
26	Zn-	Zinc atom anion	zn-
27	Zn+	Zinc atom cation	zn+
28	BeH-	berylium monohydride anion	beh-
29	BeH+	beryllium monohydride cation	beh+
30	MgH-	magnesium monohydride anion	mgh-
31	MgH+	magnesium monohydride cation	mgh+
32	CaH	Calcium monohydride	cah
33	CaH+	Calcium monohydride cation	cah+
34	TiH	Titanium monohydride	tih
35	ZnH	Zinc monohydride	znh
36	ZnH2	Zinc hydride	znh2
37	B-	Boron atom anion	b-
38	Sc	Scandium atom	sc
39	Sc+	Scandium cation	sc+
40	BH-	boron monohydride anion	bh-
41	BH+	boron monohydride cation	bh+
42	AlH-	aluminum monohydride anion	alh-
43	AlH+	aluminum monohydride cation	alh+
44	ScH	Scandium monohydride	sch
45	ScH+	Scandium monohydride cation	sch+
46	BH2-	boron dihydride anion	bh2-
47	BH2+	Boron dihydride cation	bh2+
48	AlH2-	aluminum dihydride anion	alh2-
49	AlH2+	aluminum dihydride cation	alh2+
50	BH3-	boron trihydride anion	bh3-
51	AlH3	aluminum trihydride	alh3
52	AlH3+	aluminum trihydride cation	alh3+
53	ScH3	Scandium trihydride	sch3
54	GaH3	Gallium trihydride	gah3
55	BH4	borohydride	bh4
56	AlH4-	Aluminum tetrahydride anion	alh4-
57	C-	Carbon atom anion	c-
58	Ti-	Titanium atom anion	ti-
59	Ti+	Titanium atom cation	ti+
60	Sn	Tin atom	sn
61	Sn+	Tin cation	sn+
62	CH-	methylidyne anion	ch-
63	CH+	Methylidyne cation	ch+
64	SiH-	silicon monohydride anion	sih-
65	SiH+	silicon monohydride cation	sih+
66	GeH+	Germaniun monohyrdide cation	geh+
67	CH2+	methylene cation	ch2+
68	SiH2-	silicon dihydride anion	sih2-
69	SiH2+	silicon dihydride cation	sih2+
70	GeH2-	germylene anion	geh2-
71	CH3-	methyl anion	ch3-
72	CH3+	methyl cation	ch3+
73	SiH3-	Silyl anion	sih3-
74	CD4	methane-d4	cd4
75	CH2D2	methane-d2	ch2d2
76	CH3D	methane-d	ch3d
77	CH4-	Methane anion	ch4-
78	CH4+	Methane cation	ch4+
79	CHD3	methane-d3	chd3
80	SiH4+	Silane cation	sih4+
81	SnH4	Stannane	snh4
82	N-	Nitrogen atom anion	n-
83	P-	Phosphorus atom anion	p-
84	P+	Phosphorus atom cation	p+
85	V	Vanadium atom	v
86	Sb	Antimony atom	sb
87	NH-	Imidogen anion	nh-
88	NH+	imidogen cation	nh+
89	PH-	phosphorus monohydride anion	ph-
90	PH+	phosphorus monohydride cation	ph+
91	AsH+	Arsenic monohydride cation	ash+
92	SbH	Antimony monohydride	sbh
93	NH2-	amino anion	nh2-
94	PH2-	Phosphino anion	ph2-
95	PH2+	Phosphino cation	ph2+
96	AsH2	Arsenic dihydride	ash2
97	AsH2+	Arsenic dihydride cation	ash2+
98	NH3-	Ammonia anion	nh3-
99	NH3+	ammonia cation	nh3+
100	SbH3	Stibine	sbh3
101	NH4+	ammonium cation	nh4+
102	PH4+	phosphonium cation	ph4+
103	O-	Oxygen atom anion	o-
104	S-	Sulfur atom anion	s-
105	S+	Sulfur atom cation	s+
106	Cr	Chromium atom	cr
107	Te	Tellurium atom	te
108	Te+	Tellurium atom cation	te+
109	OH-	hydroxide anion	oh-
110	TeH	Telluryl radical	teh
111	H2S-	Hydrogen sulfide anion	h2s-
112	H2Te	Hydrogen Telluride	h2te
113	H3O+	hydronium cation	h3o+
114	F-	Fluorine atom anion	f-
115	Cl-	Chlorine atom anion	cl-
116	Mn	Manganese atom	mn
117	I	Iodine atom	iodine
118	I-	Iodine atom anion	iodine-
119	I+	Iodine atom cation	iodine+
120	HI	Hydrogen iodide	hi
121	HI+	Hydrogen iodide cation	hi+
122	H2F+	dihydrogen fluoride cation	h2f+
123	H2I+	Iodonium	h2i+
124	Ne-	Neon atom anion	ne-
125	Ar-	Argon atom anion	ar-
126	Ar+	Argon atom cation	ar+
127	Fe	Iron atom	fe
128	Xe	Xenon atom	xe
129	NeH	neon hydrogen	neh
130	NeH+	neon hydrogen cation	neh+
131	XeH+	Xenon, protonated	xeh+
132	H2Ar	H2 Ar dimer	h2ar
133	Co	Cobalt atom	cobalt
134	Ni	Nickel atom	ni
135	Li2-	lithium diatomic anion	li2-
136	Li2+	lithium diatomic cation	li2+
137	NaLi-	lithium sodium anion	lina-
138	NaLi+	lithium sodium cation	lina+
139	LiK	Lithium Potassium	lik
140	Na2+	sodium diatomic cation	na2+
141	NaK	Sodium Potassium	nak
142	NaK+	Sodium Potassium diatomic cation	nak+
143	K2	Potassium diatomic	k2
144	Cu2	Copper diatomic	cu2
145	LiBe	Lithium Beryllium	libe
146	LiMg	Lithium magnesium	limg
147	NaBe	Sodium Beryllium	nabe
148	NaMg	Sodium Magnesium	namg
149	Be2-	Beryllium diatomic anion	be2-
150	Be2+	Beryllium diatomic cation	be2+
151	BeMg	Beryllium Magnesium	bemg
152	Mg2-	magnesium diatomic anion	mg2-
153	Mg2+	magnesium diatomic cation	mg2+
154	Ca2	Calcium diatomic	ca2
155	LiB	Lithium boride	lib
156	NaAl	Sodium aluminum	naal
157	BeB	Beryllium monoboride	beb
158	B2	Boron diatomic	b2
159	B2-	Boron diatomic anion	b2-
160	B2+	Boron diatomic cation	b2+
161	BAl	Boron Aluminum	bal
162	Al2-	aluminum diatomic anion	al2-
163	Al2+	aluminum diatomic cation	al2+
164	BGa	Boron Gallium	bga
165	AlGa	Aluminum Gallium	alga
166	Ga2	Gallium diatomic	ga2
167	LiBH4	Lithium borohydride	libh4
168	HBHHBH	Diborane(4) C2V	hbhhbh
169	Al2H6	dialane	al2h6
170	Ga2H6	digallane	ga2h6
171	LiC	Lithium Carbide	lic
172	BeC	Beryllium Carbide	bec
173	BC	boron monocarbide	bc
174	BC-	boron monocarbide anion	bc-
175	BC+	boron monocarbide cation	bc+
176	AlC	Aluminum carbide	alc
177	C2-	carbon diatomic anion	c2-
178	C2+	carbon diatomic cation	c2+
179	SiC	silicon monocarbide	sic
180	SiC-	silicon monocarbide anion	sic-
181	SiC+	silicon monocarbide cation	sic+
182	Si2-	silcon diatomic anion	si2-
183	Si2+	silcon diatomic cation	si2+
184	Ge2	Germanium diatomic	ge2
185	C2H+	Ethynyl cation	c2h+
186	ZnCH2	Zinc methylene	znch2
187	CCH2	vinylidene	vinylidene
188	CuCH3	monomethyl copper	cuch3
189	ZnCH3	Zinc monomethyl	znch3
190	CH2BH	methyleneborane	ch2bh
191	C2H3-	vinyl anion	c2h3-
192	C2H4-	Ethylene anion	c2h4-
193	CH3CH	methylmethylene	ch3ch
194	CH2SiH2	silaethylene	ch2sih2
195	CH3BH2	methylborane	ch3bh2
196	C2H5-	Ethyl anion	c2h5-
197	C2H5+	Ethyl cation	c2h5+
198	C2H6+	ethane cation	c2h6+
199	GeH3CH3	methyl germane	geh3ch3
200	C2H7+	Ethane, protonated	c2h7+
201	LiN+	Lithium Nitride cation	lin+
202	BeN	Beryllium mononitride	ben
203	BeN-	Beryllium mononitride anion	ben-
204	BeN+	Beryllium mononitride cation	ben+
205	BN-	boron nitride anion	bn-
206	AlN-	aluminum mononitride anion	aln-
207	AlN+	aluminum mononitride cation	aln+
208	BP	Boron monophosphide	bp
209	AlP	Aluminum monophosphide	alp
210	GaN	Gallium mononitride	gan
211	GaP	Gallium monophosphide	gap
212	BN	boron nitride	bn
213	BN+	boron nitride cation	bn+
214	AlN	Aluminum nitride	aln
215	CN-	cyanide anion	cn-
216	CN+	Cyano cation	cn+
217	CP-	carbon monophosphide anion	cp-
218	CP+	carbon monophosphide cation	cp+
219	SiN-	silicon mononitride anion	sin-
220	SiN+	silicon mononitride cation	sin+
221	SiP-	Silicon monophosphide anion	sip-
222	SiP+	Silicon monophosphide cation	sip+
223	TiN	Titanium mononitride	tin
224	N2-	nitrogen diatomic anion	n2-
225	N2+	diatomic nitrogen cation	n2+
226	PN-	phosphorus nitride anion	pn-
227	PN+	phosphorus nitride cation	pn+
228	P2-	phosphorus diatomic anion	p2-
229	P2+	phosphorus diatomic cation	p2+
230	AsN	Arsenic mononitride	asn
231	AsP	Arsenic monophosphide	asp
232	SbN	Antimony nitride	sbn
233	As2	Arsenic diatomic	as2
234	HNB	hydrogen nitrogen boron	hnb
235	HCN-	Hydrogen cyanide anion	hcn-
236	NNH	Dinitrogen monohydride	nnh
237	HPO+	Hydrogen phosphorus oxide cation	hpo+
238	CNH2	Aminomethylidyne radical	cnh2
239	CNH2+	N-protonated hydrogen isocyanide	cnh2+
240	H2CN	Dihydrogen cyanide radical	h2cn
241	H2CN+	hydrocyanonium cation	h2cn+
242	HCNH	methyleneazane	hcnh
243	HCNH+	N-protonated HCN	hcnh+
244	N2H2	(Z)-Diazene	n2h2z
245	CH2NH2+	methyleneamine cation	ch2nh2+
246	N2H4+	hydrazine cation	n2h4+
247	CH3NH2+	methyl amine cation	ch3nh2+
248	N2H5+	protonated hydrazine	n2h5+
249	CH3NH3+	protonated methylamine	ch3nh3+
250	CH3PH3+	methyl phosphine, protonated	ch3ph3+
251	NH3NH3	Ammonia Dimer	nh3nh3
252	LiO-	lithium oxide anion	lio-
253	LiO+	lithium oxide cation	lio+
254	LiS	Lithium monosulfide	lis
255	LiS+	Lithium sulfide cation	lis+
256	NaO-	sodium oxide anion	nao-
257	NaO+	sodium oxide cation	nao+
258	KO	Potassium monoxide	ko
259	KO+	Potassium monoxide cation	ko+
260	NaS	Sodium sulfide	nas
261	BeO-	Beryllium monoxide anion	beo-
262	BeO+	Beryllium monoxide cation	beo+
263	MgO-	magnesium oxide anion	mgo-
264	MgO+	magnesium oxide cation	mgo+
265	MgS-	magnesium sulfide anion	mgs-
266	MgS+	magnesium sulfide cation	mgs+
267	ZnO	zinc monoxide	zno
268	ZnS	Zinc sulfide	zns
269	BeS-	Beryllium monosulfide anion	bes-
270	BeS+	Beryllium monosulfide cation	bes+
271	BO-	boron monoxide anion	bo-
272	AlO-	Aluminum monoxide anion	alo-
273	AlO+	aluminum monoxide cation	alo+
274	BS-	boron monosulfide anion	bs-
275	BS+	boron monosulfide cation	bs+
276	AlS-	aluminum monosulfide anion	als-
277	AlS+	aluminum monosulfide cation	als+
278	ScO	Scandium monoxide	sco
279	BO+	boron monoxide cation	bo+
280	CS-	carbon monosulfide anion	cs-
281	CS+	carbon monosulfide cation	cs+
282	SiO-	silicon monoxide anion	sio-
283	SiO+	silicon monoxide cation	sio+
284	SiS-	silicon monosulfide anion	sis-
285	SiS+	silicon monosulfide cation	sis+
286	TiO	Titanium monoxide	tio
287	CSe-	Carbon monoselenide anion	cse-
288	CSe+	Carbon monoselenide cation	cse+
289	GeO+	Germanium monoxide cation	geo+
290	GeS	Germanium monosulfide	ges
291	NS-	nitrogen sulfide anion	ns-
292	NS+	nitrogen sulfide cation	ns+
293	PO-	phosphorus monoxide anion	po-
294	PO+	phosphorus monoxide cation	po+
295	PS-	phosphorus monosulfide anion	ps-
296	PS+	phosphorus monosulfide cation	ps+
297	VO	Vanadium monoxide	vo
298	AsO	Arsenic monoxide	aso
299	O2-	oxygen diatomic anion	o2-
300	O2+	diatomic oxygen cation	o2+
301	SO-	sulfur monoxide anion	so-
302	S2-	sulfur diatomic anion	s2-
303	S2+	sulfur diatomic cation	s2+
304	SeO-	selenium monoxide anion	seo-
305	SeO+	selenium monoxide cation	seo+
306	SeS	Selenium monosulfide	ses
307	SeS-	selenium monosulfide anion	ses-
308	SeS+	selenium monosulfide cation	ses+
309	TeO	Tellurium monoxide	teo
310	Se2-	selenium diatomic anion	se2-
311	Se2+	selenium diatomic cation	se2+
312	Te2	Tellurium diatomic	te2
313	CaOH	Calcium monohydroxide	caoh
314	COH+	Carbon Monoxide, protonated	coh+
315	HCS	Thioformyl radical	hcs
316	HCS-	Thioformyl anion	hcs-
317	HCS+	Thioformyl cation	hcs+
318	HNO-	Nitrosyl hydride anion	hno-
319	NOH	Hydroxyimidogen	noh
320	NOH+	O-protonated nitric oxide	noh+
321	HNS	Sulfur imide	hns
322	HNS-	Sulfur imide anion	hns-
323	HO2-	Hydroperoxy anion	ho2-
324	HO2+	Hydroperoxy cation	ho2+
325	HS2	Thiosulfeno radical	hs2
326	HOCH	hydroxycarbene	hoch
327	H2CS+	thioformaldehyde cation	h2cs+
328	H2NO	nitroxide	h2no
329	H2O2+	Hydrogen peroxide cation	h2o2+
330	H2S2+	hydrogen disulfide cation	h2s2+
331	CH3O+	Methoxy cation	ch3o+
332	H2CSH+	Thioformaldehyde, protonated	h2csh+
333	NH3O	Ammonia Oxide	nh3o
334	H2POH	Phosphinous acid	h2poh
335	H3PO	Phosphine oxide	h3po
336	H3O2+	hydrogen peroxide, protonated	h3o2+
337	CH3OH-	Methyl alcohol anion	ch3oh-
338	CH3SH+	Methanethiol cation	ch3sh+
339	CH3SeH	Methane selenol	ch3seh
340	H2OH2O	water dimer	h2oh2o
341	CH3OH2+	Methanol, protonated	ch3oh2+
342	CH3SH2+	protonated methylsulfide	ch3sh2+
343	H2ONH3	Water Ammonia Dimer	h2onh3
344	LiCl-	lithium chloride anion	licl-
345	LiCl+	lithium chloride cation	licl+
346	NaF-	sodium fluoride anion	naf-
347	KF	Potassium Fluoride	kf
348	NaCl-	sodium chloride anion	nacl-
349	NaCl+	sodium chloride cation	nacl+
350	KCl	Potassium Chloride	kcl
351	LiBr-	lithium bromide anion	libr-
352	LiBr+	lithium bromide cation	libr+
353	NaBr-	sodium bromide anion	nabr-
354	NaBr+	sodium bromide cation	nabr+
355	KBr	Potassium Bromide	kbr
356	LiI	Lithium Iodide	lii
357	NaI	Sodium Iodide	nai
358	KI	Potassium Iodide	ki
359	LiF-	lithium fluoride anion	lif-
360	BeF-	Beryllium monofluoride anion	bef-
361	BeF+	Beryllium monofluoride cation	bef+
362	MgF-	magnesium fluoride anion	mgf-
363	MgF+	magnesium fluoride cation	mgf+
364	CaF	Calcium monofluoride	caf
365	MgCl-	magnesium monochloride anion	mgcl-
366	MgCl+	magnesium monochloride cation	mgcl+
367	CaCl	calcium monochloride	cacl
368	TiCl	Titanium Monochloride	ticl
369	ZnF	Zinc monofluoride	znf
370	ZnF-	Zinc monofluoride anion	znf-
371	ZnF+	Zinc monofluoride cation	znf+
372	ZnCl	Zinc monochloride	zncl
373	BeCl-	beryllium monochloride anion	becl-
374	BeCl+	beryllium monochloride cation	becl+
375	BF-	Boron monofluoride anion	bf-
376	BF+	Boron monofluoride cation	bf+
377	AlF-	Aluminum monofluoride anion	alf-
378	AlF+	Aluminum monofluoride cation	alf+
379	BCl-	boron monochloride anion	bcl-
380	BCl+	boron monochloride cation	bcl+
381	AlCl-	aluminum monochloride anion	alcl-
382	AlCl+	aluminum monochloride cation	alcl+
383	ScF	Scandium monofluoride	scf
384	BBr	Boron monobromide	bbr
385	GaF+	Gallium monofluoride cation	gaf+
386	GaCl+	Gallium monochloride cation	gacl+
387	AlI	Aluminum monoiodide	ali
388	CF-	carbon monofluoride anion	cf-
389	CF+	carbon monofluoride cation	cf+
390	CCl-	carbon monochloride anion	ccl-
391	CCl+	carbon monochloride cation	ccl+
392	SiF-	silicon monofluoride anion	sif-
393	SiF+	silicon monofluoride cation	sif+
394	SiCl-	silicon monochloride anion	sicl-
395	SiCl+	silicon monochloride cation	sicl+
396	GeF+	Germanium monofluoride cation	gef+
397	NF-	nitrogen monofluorine anion	nf-
398	NF+	nitrogen monofluoirde cation	nf+
399	NCl-	nitrogen monochloride anion	ncl-
400	NCl+	nitrogen monochloride cation	ncl+
401	PF-	phosphorus monofluoride anion	pf-
402	PF+	phosphorus monofluoride cation	pf+
403	PCl-	phosphorus monochloride anion	pcl-
404	PCl+	phosphorus monochloride cation	pcl+
405	AsF	Arsenic monofluoride	asf
406	NBr	nitrogen monobromide	nbr
407	AsCl	Arsenic monochloride	ascl
408	SbF	Antimony monofluoride	sbf
409	SbCl	Antimony monochloride	sbcl
410	FO-	flourine oxide anion	fo-
411	FO+	fluorine monoxide cation	fo+
412	ClO-	chlorine monoxide anion	clo-
413	SF-	sulfur monofluoride anion	sf-
414	SCl-	sulfur monochloride anion	scl-
415	BrO-	Bromine monoxide anion	bro-
416	SeF	Selenium monofluoride	sef
417	SeCl	Selenium monochloride	secl
418	IO	Iodine monoxide	io
419	F2-	flourine diatomic anion	f2-
420	ClF-	clorine monofluoride anion	clf-
421	Cl2-	chlorine diatomic anion	cl2-
422	BrF-	bromine fluoride anion	brf-
423	BrF+	bromine fluoride cation	brf+
424	BrCl-	bromine chloride anion	brcl-
425	BrCl+	bromine chloride cation	brcl+
426	IF	Iodine monofluoride	if
427	ICl	Iodine monochloride	icl
428	IBr	Iodine monobromide	ibr
429	I2	Iodine diatomic	i2
430	I2+	Iodine diatomic cation	i2+
431	HCCl	Chloromethylene	hccl
432	CHBr	bromomethylene	chbr
433	HOBr+	Hypobromous acid cation	hobr+
434	HOI	Hypoiodous acid	hoi
435	FHF	Hydrogen difluoride	fhf
436	FHF-	Hydrogen difluoride anion	fhf-
437	NH2F	monofluoroamine	nh2f
438	CD3F	methylfluoride-d3	cd3f
439	CD3Cl	methyl chloride d3	cd3cl
440	SiH3Br	bromosilane	sih3br
441	CH3I	methyl iodide	ch3i
442	SiH3I	Silyl Iodide	sih3i
443	Ne2	Neon diatomic	ne2
444	Ne2+	Neon diatomic cation	ne2+
445	Ar2+	Argon diatomic cation	ar2+
446	Li3	Lithium trimer	li3
447	Li3+	Lithium trimer cation	li3+
448	C3+	carbon trimer cation	c3+
449	C3H3	cyclopropenyl radical	cpr
450	C3H3-	Propargyl anion	c3h3-
451	C3H3+	cyclopropenyl cation	cpr+
452	C3H3+	Propargyl cation	c3h3+
453	C3H5+	Allyl cation	allyl+
454	CH3CHCH	1-propenyl radical	ch3chch
455	Zn(CH3)2	dimethyl zinc	dmz
456	C3H7+	cyclopropane, protonated	c3h7+
457	SiH2(CH3)2	dimethylsilane	dms
458	NaCN	Sodium Cyanide	nacn
459	CuCN	Copper cyanide	cucn
460	CN2	3H-Diazirin-3-ylidene	cn2
461	NCN	Cyanoimidogen	ncn
462	N3-	azide anion	n3-
463	N3+	azide cation	n3+
464	HCCN	cyanomethylene	hccn
465	HCNN	diazomethyl radical	hcnn
466	CH2N2	diazirine	ch2n2
467	CH2NN	diazomethane	ch2nn
468	NH2CN	cyanamide	cyanamide
469	CH3CN+	Acetonitrile cation	ch3cn+
470	CH3NC	methyl isocyanide	ch3nc
471	HNCNH2+	diiminomethane, protonated	hncnh2+
472	NCNH3+	Cyanamide, protonated	ncnh3+
473	CH2CHNH	vinylazine	ch2chnh
474	CH3CHN	methylmethaniminyl radical	ch3chn
475	NHCHNH2	aminomethanimine	cn2h4
476	CH2CHNH2	aminoethene	aminoethene
477	CH2NCH3	N-methylmethanimine	nmm
478	CH3CHNH	ethanimine	ethanimine
479	NH2BHNH2	diaminoborane	nh2bhnh2
480	C2H5NH+	Protonated Aziridine	c2h5nh+
481	NH2CH2NH2	diaminomethane	nh2ch2nh2
482	CH3PHCH3	dimethylphosphine	ch3phch3
483	NH2CH2NH3+	diaminoethane, protonated	pdam
484	(CH3)2NH2+	dimethylammonium cation	dmam
485	CH3CH2NH3+	ethylamine, protonated	pea
486	Li2O+	dilithium oxide cation	li2o+
487	Li2S	dilithium sulfide	li2s
488	CCO	Dicarbon monoxide	cco
489	CNO-	fulminate	cno-
490	NCO-	cyanate	nco-
491	SCN	thiocyanato radical	scn
492	SCN-	thiocyanide anion	scn-
493	BO2-	Boron dioxide anion	bo2-
494	BO2+	Boron dioxide cation	bo2+
495	N2O-	Nitrous oxide anion	n2o-
496	N2O+	Nitrous oxide cation	n2o+
497	NNS	Nitrogen sulfide	nns
498	PPO	Phosphorus oxide phosphide	ppo
499	CO2-	Carbon dioxide anion	co2-
500	CO2+	Carbon dioxide cation	co2+
501	OCS+	Carbonyl sulfide cation	cos+
502	CS2-	Carbon disulfide anion	cs2-
503	CS2+	Carbon disulfide cation	cs2+
504	TiO2	Titanium dioxide	tio2
505	SiS2	Silicon disulfide	sis2
506	GeS2	Germanium disulfide	ges2
507	CSe2	Carbon diselenide	cse2
508	SCTe	Carbon sulfide Telluride	scte
509	NO2-	Nitrogen dioxide anion	no2-
510	NO2+	Nitrogen dioxide cation	no2+
511	PO2-	Phosphorus dioxide anion	po2-
512	PO2+	Phosphorus dioxide cation	po2+
513	AsO2	Aresenic dioxide	aso2
514	O3-	Ozone anion	o3-
515	O3+	Ozone cation	o3+
516	SO2-	Sulfur dioxide anion	so2-
517	SO2+	Sulfur dioxide cation	so2+
518	S3-	Sulfur trimer anion	s3-
519	S3+	Sulfur trimer cation	s3+
520	SeO2+	Selenium dioxide cation	seo2+
521	TeO2	Tellurium Dioxide	teo2
522	CS2H+	Carbon disulfide, protonated	cs2h+
523	HOCN	cyanic acid	hocn
524	HCO2-	formate anion	hco2-
525	HNNO	nitrosoazane	hnno
526	HNNO+	Nitrous oxide, N-protonated	hnno+
527	NNOH+	Nitrous Oxide, O-protonated	nnoh+
528	HCOO	formate neutral radical	hcoo
529	HOCO+	Hydrocarboxyl cation	hoco+
530	HNO2+	nitrous acid cation	hno2+
531	SO2H+	protonated sulfur dioxide	so2h+
532	CH2CO+	Ketene cation	ch2co+
533	HCCOH	ethynol	hccoh
534	Mg(OH)2	Magnesium dihydroxide	h2mgo2
535	NH2NO	Nitrosamide	nh2no
536	CH2O2	Dioxirane	diox
537	H2O3	Hydrogen trioxide	h2o3
538	HSSSH	trisulfane	hsssh
539	NaOCH3	Sodium methoxide	naoch3
540	CH2BOH	hydroxy(methylene)borane	ch2boh
541	CH3BO	Borane, methyloxo-	ch3bo
542	CH2CHO	Vinyloxy radical	ch2cho
543	CH3CO-	Acetyl anion	ch3co-
544	CH3CO+	acetyl cation	ch3co+
545	CH2NOH	formaldoxime	ch2noh
546	CH3NO	nitrosomethane	ch3no
547	CNOH3	1,2-oxaziridine	cnoh3
548	CH2OOH	CH2OOH radical	ch2ooh
549	CH3OO	methylperoxy radical	ch3oo
550	CH3OO-	methylperoxy anion	ch3oo-
551	CH3OO+	methylperoxy cation	ch3oo+
552	CH2CHOH	ethenol	ch2choh
553	H2CONH2+	protonated formamide	h2conh2+
554	NH3CHO+	Formamide, N-Protonated	nh3cho+
555	CH2(OH)2	methanediol	ch2o2h2
556	H2OH2CO	water formaldehyde dimer	h2oh2co
557	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
558	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
559	CH3CHOH+	acetaldehyde, protonated	ch3choh+
560	CH3OCH2	methoxymethyl radical	ch3och2
561	CH3SeCH3	dimethylselenide	dmse
562	CH3OHH2O	methanol water dimer	ch3ohh2o
563	H2OCH3OH	water methanol dimer	h2och3oh
564	CuF2	Copper difluoride	cuf2
565	ZnF2	Zinc difluoride	znf2
566	FCN	Cyanogen fluoride	fcn
567	ICN	Cyanogen iodide	icn
568	BeF2	Beryllium fluoride	bef2
569	MgF2	Magnesium fluoride	mgf2
570	BeCl2	Beryllium chloride	becl2
571	MgCl2	Magnesium dichloride	mgcl2
572	CaCl2	Calcium Chloride	cacl2
573	ZnCl2	Zinc dichloride	zncl2
574	CaF2	Calcium difluoride	caf2
575	FCO	Carbonyl fluoride	fco
576	FCO+	Carbonyl fluoride cation	fco+
577	ClCO	carbonyl monochloride	clco
578	FNS	Thionitrosyl fluoride	fns
579	BrNO	Nitrosyl bromide	brno
580	INO	Nitrosyl iodide	ino
581	CF2-	Difluoromethylene anion	cf2-
582	CF2+	Difluoromethylene cation	cf2+
583	SiF2+	Silicon difluoride cation	sif2+
584	CCl2-	dichloromethylene anion	ccl2-
585	CCl2+	dichloromethylene cation	ccl2+
586	GeF2	Germanium difluoride	gef2
587	ClOO+	chloroperoxy cation	cloo+
588	OClO+	Chlorine dioxide cation	oclo+
589	ClSO	Sulfur chloride oxide	clso
590	NF2+	Difluoroamino cation	nf2+
591	SF2-	sulfur difluoride anion	sf2-
592	SF2+	sulfur difluoride cation	sf2+
593	SCl2	Sulfur dichloride	scl2
594	BrOCl	Bromine hypochlorite	brocl
595	BrOBr	Bromine oxide	brobr
596	F3-	trifluoride anion	f3-
597	Cl3-	trichloride anion	cl3-
598	I3-	triiodide	i3-
599	HCCF+	fluoroacetylene cation	hccf+
600	HCCCl	Chloroacetylene	hcccl
601	HFCO	formyl fluoride	hfco
602	HFCO+	formyl fluoride cation	hfco+
603	COHCl	Formyl chloride	cohcl
604	COHBr	Formyl bromide	cohbr
605	CHCl2	dichloromethyl radical	chcl2
606	HOClO	Chlorous acid	hoclo
607	CH2FCl	fluorochloromethane	ch2fcl
608	CH2BrF	Methane, bromofluoro-	ch2fbr
609	CH2FI	fluoroiodomethane	ch2fi
610	CH2ClI	chloroiodomethane	ch2cli
611	CH2BrI	bromoiodomethane	ch2bri
612	CH2I2	Diiodomethane	ch2i2
613	CH2CHF+	fluoroethene cation	ch2chf+
614	C2H3I	Vinyl iodide	c2h3i
615	CH3OCl	methyl hypochlorite	ch3ocl
616	C2H5F	fluoroethane	c2h5f
617	CH3SiFH2	fluoromethylsilane	ch3sifh2
618	C2H5I	Ethyl iodide	c2h5i
619	KrF2	Krypton difluoride	krf2
620	XeF2	Xenon difluoride	xef2
621	B4H10	Tetraborane(10)	b4h10
622	C4+	Carbon tetramer cation	c4+
623	C4H4	cyclobutadiene	cbd
624	CH3CHCHCH2	methylallyl radical	c4h7
625	C4H8	methylcyclopropane	mcp
626	B(CH3)3	trimethylborane	bme3
627	Al(CH3)3	trimethyl aluminum	tma
628	SiH(CH3)3	trimethylsilane	trimsi
629	Li3N	trilithium nitride	li3n
630	C2N2+	Cyanogen cation	c2n2+
631	HCCCN	Cyanoacetylene	hcccn
632	C3H3N+	acrylonitrile cation	ch2chcn+
633	CH3N3	methyl azide	ch3n3
634	NH2CCNH2	Diaminoacetylene	daa
635	NH2CH2CN	Aminoacetonitrile	aan
636	CH3NHN2+	methyl azide, protonated	ch3nhn2+
637	CH5N3	Guanidine	guanidine
638	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
639	CH6N3+	guanidinium	ch6n3+
640	C3H7N	Azetidine	azet
641	CH3NHNHCH3	dimethyl hydrazine	dmh
642	P(CH3)3	trimethylphosphine	tmp
643	As(CH3)3	trimethyl arsine	tmas
644	(CH3)3NH+	protonated trimethyl amine	ptma
645	C3H7NH3+	n-propylamine, protonated	c3h7nh2
646	Li2O2	dilithium dioxide	li2o2
647	Na2O2	disodium dioxide	na2o2
648	C3O	Tricarbon monoxide	c3o
649	CO3	Carbon trioxide	co3
650	CO3--	carbonate	co3--
651	NO3-	nitrate anion	no3-
652	NO3+	nitrogen trioxide cation	no3+
653	SO3-	Sulfur trioxide anion	so3-
654	SO3+	Sulfur trioxide cation	so3+
655	SeO3	selenium trioxide	seo3
656	TeO3	Tellurium trioxide	teo3
657	HCO3-	bicarbonate anion	hco3-
658	HSO3	Hydroxysulfonyl radical	hso3
659	NH2NO2	nitramide	nh2no2
660	C2H2CO	cyclopropenone	c2h2co
661	HCCCHO	2-propynal	hcccho
662	C2H2O2+	Ethanedial cation	c2h2o2+
663	H2CO3	Carbonic acid	h2co3
664	H2CS3	thiocarbonic acid	h2cs3
665	H2NO3+	Nitric Acid, Protonated	h2no3+
666	H2SO3	Sulfurous acid	h2so3
667	CH3COO-	acetate anion	ch3coo-
668	NH2COOH	Carbamic acid	nh2cooh
669	H3BO3	Boric acid	h3bo3
670	H3CO3+	carbonic acid, protonated	h3co3+
671	C3H4O	2-Propyn-1-ol	c107197
672	C3H4O	allenol	c9000071
673	C3H4O	Methylketene	c6004440
674	NH2CONH2+	Urea cation	urea+
675	C2H4O2	1,3-dioxetane	c2h4o2
676	CHOCH2OH	hydroxy acetaldehyde	haa
677	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
678	NH3COOH+	protonated Carbamic acid	nh3cooh+
679	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
680	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
681	HCOOHH2O	Formic acid water dimer	hcoohh2o
682	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
683	CH3COCH2	Acetonyl radical	ch3coch2
684	HCONHCH3	N-methylformamide	nmfa
685	CH5N2O+	urea, N-protonated	ch4n2o+
686	H2NCOHNH2+	urea, protonated	ureah+
687	C2H5OO	ethylperoxy radical	c2h5oo
688	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
689	C3H5OH	Cyclopropanol	cproh
690	CH3COCH3-	acetone anion	ch3coch3-
691	CH3CSCH3	Thioacetone	ch3csch3
692	CH3OOCH3	dimethylperoxide	dmp
693	CH3COHCH3+	acetone, protonated	acetoneh+
694	HOCH2CH2NH2	monoethanolamine	mea
695	H2OCH3OCH3	water dimethylether dimer	h2och3och3
696	Na2F2	Sodium Fluoride Dimer	na2f2
697	C2F2	difluoroacetylene	c2f2
698	C2Cl2+	dichloroacetylene cation	c2cl2+
699	FNO2	Nitryl fluoride	fno2
700	FONO	Nitrosyl hypofluorite	fono
701	ClONO	chlorine nitrite	clono
702	BrONO	Bromine nitrite	brono
703	COFCl	Carbonic chloride fluoride	cofcl
704	Cl2CS	Thiophosgene	cl2cs
705	COBr2	Carbonic dibromide	cobr2
706	BF3-	Borane, trifluoro- anion	bf3-
707	ScF3	Scandium trifluoride	ScF3
708	BBr3	Boron tribromide	bbr3
709	AlBr3	Aluminum Bromide	albr3
710	ClO3	Chlorine trioxide	clo3
711	ClO3-	chlorate anion	clo3-
712	BrO3-	Bromate anion	bro3-
713	CF3-	Trifluoromethyl anion	cf3-
714	CF3+	Trifluoromethyl cation	cf3+
715	SiF3	Silicon trifluoride radical	sif3
716	SiF3+	Silicon trifluoride cation	sif3+
717	CCl3-	Trichloromethyl anion	ccl3-
718	CCl3+	Trichloromethyl cation	ccl3+
719	SiCl3	trichlorosilyl radical	sicl3
720	SiCl3+	trichlorosilyl cation	sicl3+
721	FOOF	Perfluoroperoxide	foof
722	F2SO	Thionyl Fluoride	f2so
723	ClOOCl	Dichlorine dioxide	cloocl
724	FSSF	Difluorodisulfane	fssf
725	S2F2	Thio-thionyl fluoride	s2f2
726	SOCl2	thionyl chloride	socl2
727	SeOCl2	selenium oxychloride	seocl2
728	NF3-	Nitrogen trifluoride anion	nf3-
729	NF3+	Nitrogen trifluoride cation	nf3+
730	AsF3	Arsenic trifluoride	asf3
731	SbF3	Antimony Trifluoride	sbf3
732	AsCl3	Arsenous trichloride	ascl3
733	SbCl3	Antimony Trichloride	sbcl3
734	PBr3	Phosphorus tribromide	pbr3
735	AsBr3	Arsenic tribromide	asbr3
736	NI3	Nitrogen triiodide	ni3
737	PI3	Phosphorus triiodide	pi3
738	SF3	Sulfur trifluoride	sf3
739	IF3	iodone trifluoride	if3
740	CHF2Cl	difluorochloromethane	chf2cl
741	CHFCl2	fluorodichloromethane	chfcl2
742	CDCl3	trichloromethane-d	cdcl3
743	CHF2I	difluoroiodomethane	chf2i
744	CHFClI	fluorochloroiodomethane	chfcli
745	CHCl2I	dichloroiodomethane	chcl2i
746	CHClBr2	Methane, dibromochloro-	chclbr2
747	CHBr3	bromoform	chbr3
748	CHI3	Iodoform	chi3
749	NF3H+	protonated nitrogen trifluoride	nf3h+
750	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
751	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
752	C2H2Br2	1,1-dibromoethene	c2h2br2
753	CH2FCHO	Fluoroacetaldehyde	ch2fcho
754	CH2ClCHO	chloroacetaldehyde	ch2clcho
755	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
756	CH2CFCH3	2-fluoropropene	2fpro
757	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
758	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
759	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
760	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
761	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
762	CH3CH2CH2Br	n-propyl bromide	prbr
763	CH3CHBrCH3	i-propyl bromide	iprbr
764	C3H9O+	trimethyl oxonium cation	c3h9o+
765	C5H5	cyclopentadienyl radical	c5h5
766	C5H5-	cylopentadienyl anion	c5h5-
767	C5H7	1,3-pentadienyl radical	pdyl
768	C5H7	cyclopentenyl radical	cpyl
769	C5H8	1-pentyne	a1pentyne
770	CH3CCCH2CH3	2-Pentyne	2pentyne
771	CH2CHCH2CH2CH3	1-pentene	pentene
772	Si(CH3)4	tetramethylsilane	tms
773	C3H3N2	imidazolyl radical	im
774	C3H3N2-	imidizolyl anion	im-
775	C2H3N3	1H-1,2,4-Triazole	c288880
776	C4H4N	pyrrolide radical	c4h4n
777	C4H4N-	pyrrolide anion	c4h4n-
778	C3H4N2	4H-Imidazole	imid4h
779	C4H5N	2H-pyrrole	pyrrole2
780	C4H5N	3H-pyrrole	pyrrole3
781	CH2CHCH2CN	Allylcyanide	ch2chch2cn
782	C4H6N+	pyrrole, alpha-protonated	appyr
783	C4H6N+	pyrrole, beta-protonated	bppyr
784	C4H6N+	pyrrole, protonated	ppyr
785	NH(C2H5)2	diethylamine	dea
786	NC4H12+	tetramethyl ammonium cation	nc4h12+
787	C3O2+	Carbon suboxide cation	c3o2+
788	MgCO3	Magnesium Carbonate	mgco3
789	BeCO3	Beryllium Carbonate	beco3
790	CaCO3	Calcium Carbonate	caco3
791	ONONO	Nitrosyl nitrite	onono
792	PO4---	phosphate	po4---
793	SO4--	sulfate	so4--
794	HOONO2	peroxy nitric acid	hoono2
795	HSO4-	bisulfate anion	hso4-
796	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
797	C3H2O2	Propiolic acid	c3h2o2
798	CHOCOOH	oxo acetic acid	oaa
799	H2SeO4	Selenic acid	h2seo4
800	CH3C(O)OO	acetyl peroxy radical	ch3coo2
801	H3PO4	Phosphoric Acid	h3po4
802	C4H4O+	Furan cation	furan+
803	C3H4O2	Methyl glyoxal	megly
804	C3H4O2	propanedial	propanedial
805	C3H4O2	propenalol	propenalol
806	HOCHCCHOH	allenediol	aldiol
807	C2H4O3	1,2,3-trioxolane	c2h4o3
808	C2H4O3	trioxolane124	triox
809	HOCH2COOH	Hydroxyacetic acid	hac
810	CH3SO2NH2	methanesulfonamide	ch3so2nh2
811	C4H6O	cis-2-butenal	butenal2c
812	C4H6O	Furan, 2,5-dihydro-	furan25h
813	CH3CH2COOH	Propanoic Acid	propanoic
814	CH3SSSCH3	dimethyl trisulfide	c2h6s3
815	C3H7NO	dimethylformamide	dmf
816	C4H10O+	1-Butanol cation	butanol1+
817	ClONO2	Chlorine nitrate	clono2
818	BrONO2	Bromine nitrate	brono2
819	ClO4-	perchlorate anion	clo4-
820	BF4-	tetrafluoroboron anion	bf4-
821	SO2F2	Sulfuryl fluoride	so2f2
822	TiF4	Titanium tetrafluoride	tif4
823	CCl4+	Carbon tetrachloride cation	ccl4+
824	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
825	CF3I	trifluoroiodomethane	cf3i
826	CBrCl3	Methane, bromotrichloro-	cbrcl3
827	CBr2F2	Methane, dibromodifluoro-	cbr2f2
828	GeCl4	Germanium Tetrachloride	gecl4
829	CCl3I	trichloroiodomethane	ccl3i
830	CFBr3	fluorotribromomethane	cfbr3
831	CFClBrI	fluorochlorobromoiodomethane	cfclbri
832	CF2I2	difluorodiiodomethane	cf2i2
833	CCl2I2	dichlorodiiodomethane	ccl2i2
834	SiBr4	Silicon tetrabromide	sibr4
835	CBr3I	tribromoiododmethane	cbr3i
836	CI4	tetraiodomethane	ci4
837	SiI4	silicon tetraiodide	sii4
838	ClOF3	Chlorine trifluoride oxide	clof3
839	C2HF3	Trifluoroethylene	c2hf3
840	C2HF3+	Trifluoroethylene cation	c2hf3+
841	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
842	HClO4	perchloric acid	hclo4
843	CF3OH	trifluoromethanol	cf3oh
844	CHClCCHCl	1,3-dichloroallene	chclcchcl
845	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
846	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
847	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
848	SiCl3CH3	methyltrichlorosilane	sicl3ch3
849	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
850	NH3BCl3	Amminetrichloroboron	nh3bcl3
851	SiH3CCl3	(trichloromethyl)silane	sih3ccl3
852	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
853	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
854	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
855	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
856	C4H9F	1-fluorobutane	butaf1
857	CH3CHFCH2CH3	2-fluorobutane	butaf2
858	XeF4	Xenon tetrafluoride	xef4
859	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
860	NH3BF3	Amminetrifluoroboron	nh3bf3
861	C6H2	hexatriyne	c6h2
862	C6H4	Benzyne	benzyne
863	C6H5-	phenyl anion	phenyl-
864	C6H6	3,4-Dimethylenecyclobutene	cb34m
865	C6H6	Hexa-1,5-diene-3-yne	hdy153
866	C6H6	Trimethylenecycopropane	tmcp
867	C6H6+	Benzene cation	c6h6+
868	C6H7+	benzene, protonated	c6h7+
869	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
870	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
871	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
872	C6H12	(E)-2-Hexene	e2hexene
873	C6H12	(E)-hex-3-ene	e3hexene
874	C6H12	(Z)-hex-2-ene	z2hexene
875	C6H12	(Z)-hex-3-ene	z3hexene
876	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
877	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
878	C2H2N4	sym-tetrazine	ttz
879	C5H5N	E-2,4-pentadienenitrile	bdcn
880	B3N3H6	borazine	borazine
881	C5H6N+	Pyridinium	c5h6n
882	Li2CO3	Lithium Carbonate	li2co3
883	Na2CO3	Sodium Carbonate	na2co3
884	C2O4--	oxalate anion	c2o4
885	MgSO4	Magnesium Sulfate	mgso4
886	C2H2O4	Oxalic Acid	oxalic
887	C4H4O2	2(5H)-Furanone	furanone
888	C2H4CO3	Ethylene carbonate	etco3
889	C2H4O4	Formic acid dimer	fadimer
890	C5H6O	2-methylfuran	furan2m
891	C5H6O	3-Methylfuran	furan3m
892	C4H6O2	Crotonic Acid	crot
893	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
894	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
895	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
896	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
897	C3H6S3	1,3,5-Trithiane	c3h6s3
898	HCONH2CN2H4	formamide aminomethanimine dimer	d13
899	C5H10O	2-methylbutyraldehyde	2meba
900	C5H10O	Pentanal	pal
901	C5H12O	3-Pentanol	pentan3ol
902	C5H12S	2-Butanethiol, 2-methyl-	c1679090
903	ClCOClCO	Oxalyl chloride	oxcl
904	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
905	C2F4+	Tetrafluoroethylene cation	c2f4+
906	CF2CCl2	difluorodichloroethylene	cf2ccl2
907	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
908	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
909	C2FCl3	fluorotrichloroethene	c2fcl3
910	CF3OF	Trifluoromethylhypofluorite	cf3of
911	SOF4	Sulfur tetrafluoride oxide	sof4
912	AsF5	Arsenic pentafluoride	asf5
913	SF5	Sulfur pentafluoride	sf5
914	SF5+	pentafluoro sulfur cation	sf5+
915	SbCl5	Antimony pentachloride	sbcl5
916	BrF5	bromine pentafluoride	brf5
917	ClF5	chlorinepentafluoride	clf5
918	IF5	pentafluoroiodine	if5
919	CF3CHO	trifluoroacetaldehyde	cf3cho
920	CCl3CHO	trichloroacetaldehyde	ccl3cho
921	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
922	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
923	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
924	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
925	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
926	CH2ClCCl3	1,1,1,2-tetrachloroethane	ch2clccl3
927	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
928	CF3COOH	trifluoroacetic acid	cf3cooh
929	C4H3ClO	Furan, 2-chloro	fur2cl
930	C4H3ClO	Furan,3-chloro	fur3cl
931	C4H8O2	Butanoic acid	bua
932	C6H5CH2	benzyl radical	benzyl
933	C7H8	cycloheptatriene	cht
934	C7H8	Norbornadiene	norbor
935	C7H8	Quadricyclane	qucy
936	C7H12	Norbornane	nor
937	C7H14	cycloheptane	c7h14
938	C7H16	2-methylhexane	2mhex
939	C7H16	3-methylhexane	hex3m
940	C7H16	heptane	heptane
941	C6H7N	2-Methylpyridine	mp
942	C6H13N	2-Methylpiperidine	pip2m
943	C6H13N	cyclohexanamine	cham
944	C6H15N	triethylamine	tea
945	N2O5	Dinitrogen pentoxide	n2o5
946	C4H2O3	Maleic Anhydride	malan
947	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
948	C6H5O	phenoxy radical	phenoxy
949	C5H5NO	2(1H)-Pyridinone	c72762006
950	C5H5NO	2(3H)-Pyridinone	c9000048
951	C5H5NO	2(5H)-Pyridinone	c9000037
952	C5H5NO	2-Pyridinol	c109104
953	C5H5NO	3(2H)-Pyridinone	c9000004
954	C5H5NO	3(4H)-Pyridinone	c9000026
955	C5H5NO	3(6H)-Pyridinone	c9000015
956	C5H5NO	3-Pyridinol	c109002
957	C5H5NO	4(1H)-Pryidinone	c9000060
958	C5H5NO	4(3H)-Pryidinone	c9000059
959	C5H5NO	4-Pyridinol	c626642
960	C6H6O	2,4-Cyclohexadienone	c24599573
961	C6H6O	2,5-Cyclohexadienone	c5664335
962	C6H5SH	Benzenethiol	phsh
963	HO2CCHNH2CH2OH	Serine	serine
964	C5H8O2	Acetylacetone	acac
965	C4H8O2S	Sulfolane	sulfolane
966	C7H10	Norbornene	norbornene
967	CH(C2H3)3	trivinyl methane	tvm
968	C6H10O	cyclohexanone	chexo
969	C6H12O	hexanal	c6h12o
970	C3H7OC3H7	di-n-propyl ether	propr
971	CF3COO-	trifluoro acetate anion	cf3coo-
972	CF3COF	trifluoroacetyl fluoride	cf3cof
973	CF3COCl	trifluoroacetyl chloride	cf3cocl
974	PF6	Hexafluorophosphate neutral	pf6
975	PF6-	Hexafluorophosphate ion	pf6-
976	SeF6	Selenium hexafluoride	sef6
977	SF5Cl	sulfur chloropentafluoride	sf5cl
978	CF3CHF2	pentafluoroethane	cf3chf2
979	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
980	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
981	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
982	CCl3CHCl2	pentachloroethane	ccl3chcl2
983	C6H5Br	bromobenzene	bzbr
984	C8H6	Calicene	calicene
985	C6H5CCH	phenylacetylene	phac
986	C8H6	benzocyclobutadiene	bcbd
987	C8H6	Pentalene	pentalene
988	CH3C6H4CH3	meta-xylene	mxylene
989	CH3C6H4CH3	paraxylene	pxylene
990	C8H14	Bicyclo[2.2.2]octane	bico222
991	C8H16	cyclooctane	cyclooct
992	(CH3)3CC(CH3)3	tetramethylbutane	tmb
993	C8H18	Octane	c8h18
994	C6H5CN	phenyl cyanide	phcn
995	C6H12N2	Triethylenediamine	ted
996	C4O4--	squarate dianion	c4o4--
997	C6H4O2	parabenzoquinone	pbq
998	C4H4N2O2	Uracil	uracil
999	C5H9NO2	Proline	proline
1000	C6H12O2	Methyl pivalate	c598981
1001	C6H12O2	Hexanoic acid	hexa
1002	C4F4	tetrafluorcyclobutadiene	c4f4
1003	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1004	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1005	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1006	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1007	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1008	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1009	C2F6	hexafluoroethane	c2f6
1010	C2Cl6	hexachloroethane	c2cl6
1011	IF7	Iodine heptafluoride	if7
1012	C6H4F2	metadifluorobenzene	mdfb
1013	C6H4F2	orthodifluorobenzene	odfb
1014	C6H4Cl2	1,2-dichlorobenzene	dcb12
1015	C6H4Cl2	1,3-dichlorobenzene	dcb13
1016	C9H8	Indene	indene
1017	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1018	C9H12	n-propyl benzene	prbz
1019	C9H20	Nonane	nonane
1020	C(CN)4	tetracyanomethane	c5n4
1021	C5H4N4	purine	purine
1022	C8H7N	Indole	indole
1023	C3H3N3O3	cyanuric acid	cyanuric
1024	C6H5COOH	benzoic acid	benzo
1025	CH3COC6H5	acetophenone	acph
1026	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1027	C6H3F3	Benzene trifluoride 123	bzf3a
1028	C10H8	Azulene	azu
1029	C6N4	Tetracyanoethylene	tcne
1030	C6N4-	tetracyanoethylene anion	tcne-
1031	C10H22	Decane	decane
1032	C4F6	perfluorobutadiene	c4f6
1033	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1034	C3F8	perfluoropropane	c3f8
1035	Fe(CO)5	Iron pentacarbonyl	ipc
1036	Fe(C5H5)2	ferrocene	fecp2
1037	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1038	C12H8	Acenaphthylene	acenaph
1039	C12H8	biphenylene	biph
1040	C12H10	biphenyl	biphenyl
1041	C12H10	Heptalene	heptalene
1042	C6H12O6	Inositol	inositol
1043	C6F6	hexafluorobenzene	c6f6
1044	S2F10	disulphur decafluoride	s2f10
1045	C14H10	Anthracene	anth
1046	C14H10	Phenanthrene	phenanthrene
1047	C12H10N2	azobenzene	azobenzene
1048	C6H5COC6H5	benzophenone	benzophenone
1049	C16H10	Pyrene	pyrene
1050	C18H12	Tetracene	tetracene
1051	C19H16	Triphenylmethane	tpm
1052	C24H12	Coronene	coronene
1053	C60	Buckminsterfullerene	c60