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

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

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count	Species	Name	State	Conformation
1	H	Hydrogen atom	1S	Kh
2	H2	Hydrogen diatomic	1Σg	D∞h
3	He	Helium atom	1S	Kh
4	He	Helium atom
5	He+	Helium atom cation	2S	Kh
6	Li	Lithium atom	2S	Kh
7	Na	Sodium atom	2S	Kh
8	K	Potassium atom	2S	Kh
9	Cu	Copper atom	2S	Kh
10	LiH	Lithium Hydride	1Σ	C∞v
11	Be	Beryllium atom	1S	Kh
12	Be+	Beryllium atom cation	2S	Kh
13	Mg	Magnesium atom	1S	Kh
14	Mg+	Magnesium atom cation	2S	Kh
15	Ca	Calcium atom	1S	Kh
16	Zn	Zinc atom	1S	Kh
17	MgH	magnesium monohydride	2Σ	C∞v
18	ZnH+	Zinc, protonated
19	BeH2+	Beryllium dihydride cation
20	B	Boron atom	2P	Kh
21	B	Boron atom	4P	Kh
22	B+	Boron atom cation	1S	Kh
23	Al	Aluminum atom	2P	Kh
24	Al-	Aluminum atom anion	3P	Kh
25	Al+	Aluminum atom cation	1S	Kh
26	Ga	Gallium atom	2P
27	Ga-	Gallium atom anion	3P	Oh
28	Ga+	Gallium atom cation	1S
29	GaH	Gallium monohydride	1Σ	C∞v
30	GaH+	Gallium monohydride cation	2Σ	C∞v
31	BH3+	boron trihydride cation	2B2	C2v
32	BH3+	boron trihydride cation		C2v
33	AlH3-	aluminum trihydride anion		C3v
34	BH4-	borohydride anion	1A1	Td
35	C	Carbon atom	3P0	Kh
36	C	Carbon atom	3P1	Kh
37	C+	Carbon atom cation	2P	Kh
38	Si	Silicon atom	3P	Kh
39	Si	Silicon atom	1S	Kh
40	Si-	Silicon atom anion	4S	Kh
41	Si+	Silicon atom cation	2P	Kh
42	Ge	Germanium atom	3P	Kh
43	Ge-	Germanium anion	4S	Kh
44	Ge+	Germanium cation	2P	Kh
45	CH	Methylidyne	2Π1/2	C∞v
46	SiH	Silylidyne	2Π	C∞v
47	GeH	germylidene	2Π	C∞v
48	CH2-	methylene anion	2B1	C2v
49	GeH2	germylene	1A1	C2v
50	SiH3	Silyl radical	2A1	C3v
51	GeH3	Germyl radical	2A1	C3v
52	GeH3+	germyl cation	1A1'	D3h
53	CH4	Methane	1A1	Td
54	SiH2D2	silane-d2
55	SiH5+	Silane, protonated
56	N	Nitrogen atom	4S	Kh
57	N	Nitrogen atom	2D	Kh
58	N+	Nitrogen atom cation	3P	Kh
59	P	Phosphorus atom	4S	Kh
60	As	Arsenic atomic	4S	Kh
61	As-	Arsenic anion	3P	Kh
62	As+	Arsenic cation	3P	Kh
63	PH	phosphorus monohydride	3Σ-	C∞v
64	AsH	Arsenic monohydride	3Σ	C∞v
65	NH2	Amino radical	2B1	C2v
66	NH2+	Amino cation	3B1	C2v
67	NH2+	Amino cation	1A1	C2v
68	NH3	Ammonia	1A1	C3v
69	PH3+	Phosphine cation	2A1	C3v
70	AsH3	Arsine	1A1	C3v
71	AsH3+	Arsine cation	2A1	C3v
72	AsH4+	Arsonium
73	NH4	Ammonium radical
74	PH4	Phosphoranyl radical
75	O	Oxygen atom	3S	Kh
76	O+	Oxygen atom cation	4S	Kh
77	S	Sulfur atom	3P	Kh
78	S	Sulfur atom
79	Se	Selenium atom	3P	Kh
80	Se-	Selenium atom anion	2P	Kh
81	Se+	Selenium atom cation	4S	Kh
82	OH	Hydroxyl radical	2Π	C∞v
83	OH+	hydoxyl cation	3Σ	C∞v
84	HS+	sulfur monohydride cation	3Σ	C∞v
85	HSe	Selenium monohydride	2Π	C∞v
86	HSe-	selenium monohydride anion	1Σ	C∞v
87	HSe+	selenium monohydride cation	3Σ	C∞v
88	H2O	Water	1A1	C2v
89	H2O-	water anion	2A1	C2v
90	H2O-	water anion	2A'	Cs
91	H2O+	water cation	2B1	C2v
92	HDO	Water-d1	1A1	C2v
93	H2Se	Hydrogen selenide	1A1	C2v
94	H2Se+	Hydrogen selenide cation	2B1	C2v
95	H3S+	Sulfonium cation	1A1	C3v
96	H3Se+	Hydrogen Selenide, protonated	1A1	C3v
97	F	Fluorine atom	2P	Kh
98	F+	Fluorine atom cation	3S	Kh
99	Cl	Chlorine atom	2P	Kh
100	Cl+	Chlorine atom cation	3P	Kh
101	Br	Bromine atom	2P	Kh
102	Br-	Bromine atom anion	1S	Kh
103	Br+	Bromine atom cation	3P	Kh
104	HF	Hydrogen fluoride	1Σ	C∞v
105	HF-	hydrogen fluoride anion	2Σ	C∞v
106	HF+	hydrogen fluoride cation	2Π	C∞v
107	HCl	Hydrogen chloride	1Σ	C∞v
108	HCl-	hydrogen chloride anion	2Σ	C∞v
109	HCl+	hydrogen chloride cation	2Π	C∞v
110	HBr	hydrogen bromide	1Σ	C∞v
111	HBr-	hydrogen bromide anion	2Σ	C∞v
112	HBr+	hydrogen bromide cation	2Π	C∞v
113	H2Br+	protonated hydrogen bromide	2A1	C2v
114	Ne	Neon atom	1S	Kh
115	Ne	Neon atom
116	Ne+	Neon atom cation	2P	Kh
117	Ar	Argon atom	1S	Kh
118	Kr	Krypton atom	1S	Kh
119	Kr+	Krypton cation	2P	Kh
120	HeLi+	Helium Lithium cation
121	ArH+	Argon hydride cation	1Σ	C∞v
122	NaLi	lithium sodium	1Σ	C∞v
123	Na2	Sodium diatomic	1Σg	D∞h
124	Na2-	sodium diatomic anion	2Σu	D∞h
125	LiAl	Lithium Aluminum
126	HBBH	Diborane(2)	3ΣG	D∞h
127	B2H6+	Diborane cation
128	CaC	Calcium monocarbide
129	GeC	Germanium monocarbide	1Σ	C∞v
130	SiGe	Silicon Germanium
131	C2H2	Acetylene	1Σg	D∞h
132	C2H2+	acetylene cation	2Πu	D∞h
133	C2H2+	acetylene cation
134	CCH2	vinylidene	1A1	C2v
135	CCH2	vinylidene	3B2	C2v
136	H2CC-	vinylidene anion
137	HCCH-	acetylene anion
138	HCCH-	acetylene anion
139	Si2H2	disilyne
140	Si2H2	disilyne
141	Si2H2	disilyne
142	Si2H2	disilyne
143	CH3Li	methyl lithium	1A1	C3v
144	CuCH3	monomethyl copper	1A1	C3v
145	C2H3	vinyl	2A'	Cs
146	C2H3+	vinyl cation	1A1	C2V bridging H
147	C2H3+	vinyl cation	1A1	C2V HCCH2
148	C2H4	Ethylene	1Ag	D2h
149	Si2H4	Disilene
150	Si2H4	Disilene
151	Si2H4	Disilene
152	C2H5	Ethyl radical	2A'	Cs
153	C2H6	Ethane	1A1g	D3d
154	Si2H6	disilane	1Eu	D3d
155	LiN	Lithium Nitride	3Σ	C∞v
156	LiP	Lithium monophosphide
157	LiP	Lithium monophosphide
158	MgN	Magnesium Nitride
159	MgN	Magnesium Nitride
160	GaAs	Gallium arsenide	3Π
161	GaAs	Gallium arsenide	1Σ
162	BN	boron nitride	3Π	C∞v
163	AlN	Aluminum nitride	3Πi	C∞v
164	CN	Cyano radical	2Σ	C∞v
165	SiP	Silicon monophosphide	2Π	C∞v
166	N2	Nitrogen diatomic	1Σg	D∞h
167	N2	Nitrogen diatomic
168	PN	Phosphorus mononitride	1Σ	C∞v
169	HCN	Hydrogen cyanide	1Σ	C∞v
170	HCN+	hydrogen cyanide cation	2Π	C∞v
171	HNC+	hydrogen isocyanide cation
172	HCP+	Phosphaethyne cation
173	NNH	Dinitrogen monohydride	2A'	Cs
174	NNH+	Dinitrogen monohydride cation	1Σ	C∞v
175	LiNH2	lithium amide
176	H2NN	Isodiazene
177	N2H2	(E)-diazene	1Ag	C2h
178	CH2NH	Methanimine	1A'	Cs
179	CH2NH+	Methanimine cation
180	CHNH2	aminomethylene
181	CHNH2+	Aminocarbene cation
182	BH2NH2	Boranamine
183	CH3NH2	methyl amine	1A'	Cs
184	SiH3NH2	Silane, amino
185	BH3PH3	borane phosphine
186	N2H7+	ammonia ammonium dimer
187	CuO	Copper Monoxide	2Π	C∞v
188	LiSe	Lithium monoselenide
189	CaO	Calcium monoxide	1Σ	C∞v
190	GaO	Gallium monoxide	2Σ	C∞v
191	GaS	Gallium monosulfide
192	CO	Carbon monoxide	1Σ	C∞v
193	CO+	carbon monoxide cation	2Σ	C∞v
194	SiO	Silicon monoxide	1Σ	C∞v
195	SiS	silicon monosulfide	1Σ	C∞v
196	CSe	Carbon monoselenide	1Σ	C∞v
197	GeO	Germanium monoxide	1Σ	C∞v
198	SiSe	Silicon Monoselenide
199	SiSe+	Silicon Monoselenide cation
200	GeSe	Germanium monoselenide
201	NO	Nitric oxide	2Π	C∞v
202	NO-	nitric oxide anion	3Σ	C∞v
203	PS	phosphorus sulfide	2Σ	C∞v
204	O2	Oxygen diatomic	3Σg	D∞h
205	O2--	dioxygen dianion
206	SO	Sulfur monoxide	3Σ	C∞v
207	SO	Sulfur monoxide	1Σ	C∞v
208	SO+	sulfur monoxide cation	2Π	C∞v
209	S2	Sulfur diatomic	3Σg	D∞h
210	SeO	Selenium monoxide	3Σ	C∞v
211	Se2	Selenium diatomic	3Σg	D∞h
212	BeOH	beryllium monohydroxide	2A'	Cs
213	CaOH	Calcium monohydroxide	2Σ+	C∞v
214	HBS	hydrogen boron sulfide	1Σ	C∞v
215	COH	Hydroxymethylidyne
216	HCO	Formyl radical	2A'	Cs
217	HCO+	Formyl cation	1Σ	C∞v
218	HCS	Thioformyl radical	2A'	Cs
219	HNO	Nitrosyl hydride	1A'	Cs
220	HNO+	Nitrosyl hydride cation	2A'	Cs
221	HSO+	Sulfur Monoxide, S-protonated
222	SOH	Sulfur Hydroxide
223	SOH+	Sulfur Monoxide, protonated
224	H2CO	Formaldehyde	1A1	C2v
225	H2CO-	formaldehyde anion	2A'	Cs
226	H2CO+	formaldehyde cation	2B2	C2v
227	H2CS	Thioformaldehyde	1A1	C2v
228	H2CS-	thioformaldehyde anion
229	H2CS-	thioformaldehyde anion
230	H2CSe	Selenoformaldehyde
231	H2O2	Hydrogen peroxide	1A	C2
232	H2O2	Hydrogen peroxide	1Ag	C2h
233	H2OO	water oxide
234	HOSH	hydrogen thioperoxide
235	H2Se2	hydrogen diselenide
236	NH2OH	hydroxylamine	1A'	Cs
237	NH2OH+	Hydroxylamine cation
238	NH2SH	Thiohydroxylamine
239	NH2SH	Thiohydroxylamine
240	NH3S	sulfidoazane
241	CH3OH	Methyl alcohol	1A'	Cs
242	CH3OH+	Methyl alcohol cation	2A"	Cs
243	SiH3OH	silanol
244	NH2OH2+	protonated hydroxylamine
245	NH3OH+	N-protonated hydroxylamine
246	LiF	lithium fluoride	1Σ	C∞v
247	LiCl	lithium chloride	1Σ	C∞v
248	NaF+	sodium fluoride cation	2Σ	C∞v
249	CuF	Copper monofluoride	1Σ	C∞v
250	LiBr	Lithium Bromide	1Σ	C∞v
251	CuCl	Copper monochloride	1Σ	C∞v
252	NaBr	Sodium Bromide	1Σ	C∞v
253	LiF+	lithium fluoride cation	2Π	C∞v
254	CaBr	Calcium monobromide
255	BF	Boron monofluoride	1Σ	C∞v
256	AlF	Aluminum monofluoride	1Σ+	C∞v
257	GaF	Gallium monofluoride	1Σ	C∞v
258	AlBr	Aluminum monobromide
259	GaCl	Gallium monochloride	1ΣG	C∞v
260	GaBr	Gallium monobromide
261	CF	Fluoromethylidyne	2Π	C∞v
262	SiCl	Clorosilylidyne	2Π	C∞v
263	GeF	Germanium monofluoride	2Π	C∞v
264	GeCl	Germanium monochloride	2Π	C∞v
265	GeCl+	Germanium monochloride cation
266	SiBr	Silicon monobromide	2Π	C∞v
267	SiBr+	Silicon monobromide cation
268	NCl	nitrogen monochloride	3Σ	C∞v
269	PBr	Phosphorus monobromide
270	ClO	Monochlorine monoxide	2Π	C∞v
271	ClO+	chlorine monoxide cation	3Σ	C∞v
272	SF	Monosulfur monofluoride	2Π	C∞v
273	SF+	sulfur monofluoride cation	3Σ	C∞v
274	SCl+	sulfur monochloride cation	3Σg	C∞v
275	BrO	Bromine monoxide	2Π	C∞v
276	BrO+	Bromine monoxide cation
277	SBr	Sulfur monobromide radical
278	SBr+	Sulfur monobromide cation
279	SeBr	Selenium monobromide
280	BrCl	Bromine monochloride	1Σ	C∞v
281	F2	Fluorine diatomic	1Σg	D∞h
282	F2+	flourine diatomic cation	2Πg	D∞h
283	ClF	Chlorine monofluoride	1Σ+	C∞v
284	ClF+	clorine monofluoride cation	2Π	C∞v
285	Cl2	Chlorine diatomic	1Σg	D∞h
286	Cl2+	chlorine diatomic cation	2Πg	D∞h
287	BrF	Bromine monofluoride	1Σ	C∞v
288	Br2	Bromine diatomic	1Σg	D∞h
289	Br2-	bromine diatomic anion	2Σu	D∞h
290	Br2+	bromine diatomic cation	2Πg	D∞h
291	HCF	Fluoromethylene	1A'	Cs
292	HCF	Fluoromethylene	3A"	Cs
293	HSiF	fluorosilylene
294	HSiCl	Chlorosilylene
295	HSiBr	monobromosilylene
296	HOF	Hypofluorous acid	1A'	Cs
297	HOCl	hypochlorous acid	1A'	Cs
298	HOCl+	hypochlorous acid cation
299	HOBr	Hypobromous acid	1A'	Cs
300	ClFH+	Chlorine fluoride, F-protonated
301	FClH+	Chlorine fluoride, Cl-protonated
302	CH2Br	bromomethyl radical
303	CH2F+	fluoromethyl cation
304	CH2Cl+	chloromethyl cation
305	CH2Cl	chloromethyl radical	2A'	Cs
306	CH2Cl	chloromethyl radical	2B1	C2v
307	NH2Cl	chloramine	1A'	Cs
308	CH3F+	methyl fluoride cation
309	CH3Cl	Methyl chloride	1A1	C3v
310	CH3Cl+	Methyl chloride cation
311	SiH3F	monofluorosilane	1A1	C3v
312	SiH3Cl	chlorosilane	1A1	C1
313	CH3Br	methyl bromide	1A1	C3v
314	GeH3F	monofluorogermane
315	GeH3Cl	monochlorogermane
316	NH3Cl+	protonated monochloroammonia
317	CH3ClH+	methyl chloride, protonated
318	NH4Cl	Ammonium chloride
319	LiNe+	Lithium Neon cation
320	Ar2	Argon diatomic	1Sg	D∞h
321	C3	carbon trimer	1Σg	D∞h
322	C3	carbon trimer	1A1	C2v
323	SiC2	Silicon dicarbide
324	C3H4	cyclopropene	1A1	C2v
325	CH2CCH2	allene	1A1	D2d
326	CH3CCH	propyne	1A'	C3v
327	C3H5	Allyl radical	2A2	C2v
328	C3H6	Cyclopropane	1A1'	D3h
329	CH2CHCH3	Propene	1A'	Cs
330	C3H7	n-Propyl radical	2A"	C1
331	Si3H8	trisilane
332	AlCN	Aluminum monocyanide
333	AlNC	Aluminum isocyanide
334	CNN	Diazocarbene
335	HN3	hydrogen azide	1A'	Cs
336	HN3+	Hydrazoic acid cation
337	HNCNH	diiminomethane	1A	C2
338	CH2NN	diazomethane	1A1	C2v
339	HNNNH+	1,2-Triazadienium
340	NH2NN+	hydrazoic acid, protonated
341	CH3CN	Acetonitrile	1A1	C3v
342	CH3CN-	acetonitrile anion	2E	C3v
343	CH3CN-	acetonitrile anion	2A'	Cs
344	CH3NC	methyl isocyanide	1A1	C3v
345	CHNCH2	2H-Azirine
346	CHNHCH	1H-Azirine
347	H2CCNH	Ethenimine
348	H2CNCH	methyleneaminomethylene
349	HCCNH2	Ethynamine
350	HCNCH2+	2H-Azirine cation
351	NH2CNH+	cyanamide, cn protonated
352	NH3CN+	cyanamide, amine protonated
353	CH3CH2NH2	Ethylamine
354	Na2S	Sodium sulfide
355	Na2S	Sodium sulfide
356	LiO2	Lithium dioxide
357	NaO2	Sodium superoxide
358	NCO	isocyanato radical	2Π	C∞v
359	N2O	Nitrous oxide	1Σ	C∞v
360	CO2	Carbon dioxide	1Σg	D∞h
361	OCS	Carbonyl sulfide	1Σ	C∞v
362	CS2	Carbon disulfide	1Σg	D∞h
363	GeO2	Germanium dioxide	1Σg	D∞h
364	OCSe	Carbonyl selenide	1Σ	C∞v
365	SCSe	Carbon sulfide selenide
366	NSO	sulfinyl amidogen
367	SNO	Nitrogen oxide sulfide
368	SO2	Sulfur dioxide	1A1	C2v
369	SSO	Disulfur monoxide	1A'	Cs
370	S3	Sulfur trimer	1A1	C2v
371	S3	Sulfur trimer
372	SeO2	Selenium dioxide	1A1	C2v
373	HCCO	ketenyl radical	2Π	C∞v
374	HCCO	ketenyl radical	2A"	Cs
375	HCNO	fulminic acid	1Σ	C∞v
376	HOCN	cyanic acid	1A'	Cs
377	HNCS	Isothiocyanic acid
378	HSCN	thiocyanic acid	1A'	Cs
379	HOCO	Hydrocarboxyl radical	1A'	cis
380	HOCO	Hydrocarboxyl radical	1A'	trans
381	O3H+	protonated ozone	1A'	Cs
382	O3H+	protonated ozone
383	C2H2O	Oxirene	1A1	C2v
384	CH2CO	Ketene	1A1	C2v
385	HCCOH	ethynol	1A'	Cs
386	CH2CS	Thioketene
387	Be(OH)2	Beryllium hydroxide
388	Be(OH)2	Beryllium hydroxide
389	CH2O2	Dioxirane	1A1	C2v
390	HCOOH	Formic acid
391	BH3CO	Borane carbonyl	1A1	C3v
392	CHSNH2	thioformamide
393	NHCHSH	Methanimidothioic acid
394	C2H4O	Ethylene oxide	1A1	C2v
395	C2H4O+	ethylene oxide cation
396	CH2CHOH	ethenol	1A'	Cs
397	CH3CHO	Acetaldehyde	1A'	Cs
398	CH3CHO+	acetaldehyde cation
399	H2COCH2+	Methyl, (methyleneoxoniumyl)-
400	C2H4S	Thiirane	1A1	C2v
401	CH2CHSH	Ethenethiol
402	CH3CHS	Thioacetaldehyde	1A'	C1
403	NH2CHOH+	Formamide, O-protonated
404	CH3SSH	Hydrogen methyl disulfide
405	HSCH2SH	Methanedithiol
406	NH2CH2OH	aminomethanol
407	CH3CH2SH	ethanethiol	1A'	Cs
408	CH3CH2SH	ethanethiol	1A	C1
409	CH3SCH3	Dimethyl sulfide	1A1	C2v
410	CH3SCH3+	dimethyl sulfide cation
411	BrCN	Cyanogen bromide	1Σ	C∞v
412	FBO	Boron monofluoride monoxide
413	BeBr2	Beryllium bromide
414	CaBr2	Calcium dibromide
415	CaF2	Calcium difluoride	1Σg	C2v
416	FNO	Nitrosyl fluoride	1A'	Cs
417	ClNO	Nitrosyl chloride	1A'	Cs
418	OPCl	Phosphorus oxychloride
419	CF2	Difluoromethylene	1A1	D∞h
420	SiF2	Silicon difluoride	1A1	C2v
421	GeCl2	Germanium dichloride	1A1	C2v
422	FOO+	Fluorine dioxide cation
423	OClO	Chlorine dioxide	2B1	D∞h
424	OClO-	Chlorine dioxide anion	1A'	Cs
425	BrOO	Bromine dioxide
426	PF2	Phosphorus difluoride
427	PF2+	Phosphorus difluoride cation
428	SF2	sulfur difluoride	1A1	C2v
429	SeF2	Selenium difluoride
430	SeCl2	Selenium Dichloride
431	SBr2	Sulfur dibromide
432	SeBr2	Selenium dibromide
433	Br3-	tribromide anion
434	SFCl	Sulfur chloride fluoride
435	HCCF	Fluoroacetylene	1Σ	C∞v
436	HFCO	formyl fluoride	1A'	Cs
437	CHF2	difluoromethyl radical	2A	Cs
438	CHF2+	difluoromethyl cation
439	CHFCl	Chlorofluoromethyl radical
440	CHFCl+	Chlorofluoromethyl cation
441	CHCl2+	dichloromethyl cation
442	CHBr2	dibromomethyl radical
443	NHF2	difluoramine
444	NHCl2	dichloroamine
445	CH2F2	Methane, difluoro-	1A1	C2v
446	SiH2F2	difluorosilane
447	CH2Cl2	Methylene chloride	1A1	C2v
448	CH2BrCl	Methane, bromochloro-	1A'	Cs
449	CH2FI	fluoroiodomethane
450	CH2Br2	dibromomethane	1A1	C2v
451	CH2I2	Diiodomethane
452	CH3MgBr	Methyl Magnesium Bromide
453	CH2CHF	Ethene, fluoro-	1A'	Cs
454	CH2FOH	fluoromethanol
455	C2H5F	fluoroethane	1A'	Cs
456	C2H5Br	Ethyl bromide	1A'	Cs
457	C4	Carbon tetramer	3Σg	D∞h
458	C4	Carbon tetramer
459	C4H2+	diacetlyene cation	2Πg	D∞h
460	C4H4	Tetrahedrane
461	C4H6	1-Methylcyclopropene	1A	C1
462	CH2CHCH2CH3	1-Butene	1A	C1
463	As4	Arsenic tetramer	1A1	Td
464	H2CNCN	cyanamide, methylene
465	HNCCNH	Ethenediimine
466	C2H5CN	ethyl cyanide	1A'	Cs
467	H2NCHCHNH2	diaminoethylene
468	N(SiH3)3	trisilylamine
469	Na2O2	disodium dioxide
470	K2O2	dipotassium dioxide
471	ONNO	NO dimer	1Ag	trans C2H
472	ONNO	NO dimer	1A1	cis C2V
473	CS3--	Carbonotrithioate
474	SO3	Sulfur trioxide	1A1'	D3h
475	SO3--	Sulfate dianion
476	S4	Sulfur tetramer
477	S4	Sulfur tetramer
478	S4	Sulfur tetramer
479	HNO3	Nitric acid	1A'	Cs
480	C3H2O	Propadienal
481	C3H2O	Propadienal
482	C2H2O2	Ethanedial	1Ag	C2h
483	C2H3NO	Nitrosoethylene
484	CH3NCO	methylisocyante
485	HOCH2CN	cyanomethanol
486	CH3NO2	Methane, nitro-	1A'	Cs
487	H3AlO3	Aluminum hydroxide
488	CH2CHCHO	Acrolein	1A'	Cs
489	CH2CHCHO	Acrolein
490	CHOCH2OH	hydroxy acetaldehyde	1A'	CS H in
491	CH2C(OH)NH2	1-amino vinyl alchohol
492	CH3C(OH)=NH	Ethaninidic acid
493	CH3CSNH2	Ethanethioamide
494	CH3CH2CHO	Propanal	1A'	Cs
495	C3H7OH	1-Propanol
496	Li2F2	Lithium fluoride dimer
497	C2F2	difluoroacetylene	1Σg	D∞h
498	CF2O	Carbonic difluoride	1A1	C2v
499	CF2O+	Carbonic difluoride cation
500	BF3	Borane, trifluoro-	1A'	D3h
501	BF3+	boron trifluoride cation
502	AlF3	Aluminum trifluoride	1A1'	D3h
503	BClF2	Chlorodifluoroborane
504	BCl3	Borane, trichloro-	1A1'	D3h
505	BCl3+	Boron Trichloride cation
506	GaF3	Gallium trifluoride	1A1'	D3h
507	GaCl3	Gallium trichloride	1A1'	D3h
508	CF2Cl	difluorochloromethyl radical
509	CFCl2	dichlorofluoromethyl radical
510	CBr3	tribromomethyl radical
511	SSCl2	Thiothionyl chloride
512	NF3	Nitrogen trifluoride	1A1	C3v
513	NCl3	nitrogen trichloride	1A1	C3v
514	NBr3	Nitrogen Tribromide	1A1	C3v
515	HClO3	Chloric Acid	1A'	Cs
516	HClO3	Chloric Acid	1A	C1
517	CHF3	Methane, trifluoro-	1A1	C3v
518	SiHF3	trifluorosilane
519	CHBrF2	Methane, bromodifluoro-	1A'	Cs
520	CHBrCl2	Methane, bromodichloro-	1A'	Cs
521	CHF2I	difluoroiodomethane
522	CHBr2F	dibromofluoromethane
523	CHFClI	fluorochloroiodomethane
524	C2H2F2	Ethene, 1,2-difluoro-, (E)-	1Ag	C2h
525	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	1A1	C2v
526	C2H4F2	1,2-difluoroethane	1Ag	C2H anti
527	C2H4F2	1,2-difluoroethane	1A	C2 gauche
528	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
529	CH2BrCH2Cl	1-bromo-2-chloroethane
530	CH2BrCH2Cl	1-bromo-2-chloroethane
531	CH2BrCH2Br	Ethane, 1,2-dibromo-	1Ag	C2h
532	CH2BrCH2Br	Ethane, 1,2-dibromo-	1A	C2
533	CH2CHCH2F	Allyl Fluoride
534	CH2CHCH2F	Allyl Fluoride
535	CH3CHCHF	trans-1-Fluoro-1-propene
536	CH2FCH2OH	2-fluoroethanol
537	CH2FCH2CH3	1-Fluoropropane
538	C5H4	pentatetraene
539	C5H8	Bicyclo[1.1.1]pentane
540	C4H5N	Pyrrole	1A1	C2v
541	C3O2	Carbon suboxide	1ΣG	D∞h
542	B2O3	diboron trioxide
543	B2O3	diboron trioxide
544	CaCO3	Calcium Carbonate	1A1	C2v
545	CHOOCHO	diformyl ether
546	C3H3NO	Isoxazole	1A'	Cs
547	C3H3NS	Thiazole
548	C4H4Se	selenophene
549	C2H4O3	trioxolane124	1A	C2
550	HCOOC2H5	Ethyl formate	1A'	Cs
551	CH3SSSCH3	dimethyl trisulfide	1A	C2
552	C4H8S	Thiophene, tetrahydro-	1A	C1
553	C4H10O	Methyl propyl ether	1A	C1
554	C4H9SH	1-Butanethiol
555	CF3Cl	Methane, chlorotrifluoro-	1A1	C3v
556	CF2Cl2	difluorodichloromethane	1A1	C2v
557	CF3Br	Bromotrifluoromethane	1A1	C3v
558	GeF4	Germanium tetrafluoride	1A1	Td
559	CBrCl2F	bromodichlorofluoromethane
560	CBr2ClF	dibromochlorofluoromethane
561	CBr4	Carbon tetrabromide	1A1	Td
562	GeBr4	Germanium tetrabromide
563	SF4	Sulfur tetrafluoride	1A1	C2v
564	SeF4	Selenium tetrafluoride
565	SCl4	Sulfur tetrachloride
566	C2HF3	Trifluoroethylene	1A'	Cs
567	CH2ClCCCl	1,3-dichloropropyne
568	CHCl2CCH	3,3-dichloropropyne
569	CHCl2CHO	dichloroacetaldehyde
570	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A	C1
571	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A'	Cs
572	CH2CClCHCH2	1,3-Butadiene, 2-chloro-
573	CH2FCH2CH2F	1,3-difluoropropane
574	CH3CCl2CH3	Propane, 2,2-dichloro-	1A1	C2v
575	C2H2N2O	Furazan
576	C6H2	hexatriyne	1Σg	D∞h
577	C6H6	Prismane
578	C6H6	Dewar Benzene
579	N3P3	1,3,5,2,4,6-Triazatriphosphorine
580	N2O4	Dinitrogen tetroxide	1Ag	D2d
581	C3H2O3	vinylene carbonate
582	C4H6O2	γ–Butyrolactone	1A	C1
583	C3H6O3	1,3,5-Trioxane	1A1	C1
584	C5H10O	3-Pentanone	1A1	C2v
585	C4F2	difluorobutadiyne
586	C2ClF3	Ethene, chlorotrifluoro-
587	C2Br4	tetrabromoethene
588	SiF5-	silicon pentafluoride anion
589	PF5	Phosphorus pentafluoride	1A1'	D3h
590	CH2ClCCl3	1,1,1,2-tetrachloroethane
591	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
592	CH(CN)3	tricyanomethane
593	HN=C=C(CN)2	Dicyanoketenimine
594	C6H12O	Oxepane
595	F2CCCF2	tetrafluoroallene
596	SF6	Sulfur Hexafluoride	1A1G	Oh
597	C6H5CHO	benzaldehyde	1A'	Cs
598	C2Cl6	hexachloroethane	1A1g	D3d
599	C3F6	hexafluoropropene
600	C8H18O	1-Octanol
601	C10H10	bullvalene
602	B12H12--	Dodecahydrododecaborate(2-)

Species NOT done yet

count	Species	Name	file name	problem
1	D	Deuterium atom	d
2	D-	Deuterium atom anion	d-
3	D+	Deuterium atom cation	d+
4	H-	Hydrogen atom anion	h-
5	H+	Hydrogen atom cation	h+
6	D2	Deuterium diatomic	d2
7	H2-	hydrogen diatomic anion	h2-
8	H2+	Hydrogen cation	h2+
9	HD	Deuterium hydride	hd
10	H3+	hydrogen trimer cation	h3+
11	He-	Helium atom anion	he-
12	HeH	Helium hydride	heh
13	HeH+	Helium hydride cation	heh+
14	He2+	helium diatomic cation	he2+
15	Li-	Lithium atom anion	li-
16	Li+	Lithium atom cation	li+
17	Na-	Sodium atom anion	na-
18	Na+	Sodium atom cation	na+
19	K-	Potassium atom anion	k-
20	K+	Potassium atom cation	k+
21	Cu-	Copper atom anion	cu-
22	Cu+	Copper atom cation	cu+
23	LiH-	lithium hydride anion	lih-
24	LiH+	lithium hydride cation	lih+
25	NaH	sodium hydride	nah
26	NaH-	sodium hydride anion	nah-
27	NaH+	sodium hydride cation	nah+
28	KH	Potassium hydride	kh
29	KH+	Potassium hydrogen cation	kh+
30	CuH	Copper monohydride	cuh
31	Be-	Beryllium atom anion	be-
32	Mg-	Magnesium atom anion	mg-
33	Ca-	Calcium atom anion	ca-
34	Ca+	Calcium atom cation	ca+
35	Zn-	Zinc atom anion	zn-
36	Zn+	Zinc atom cation	zn+
37	BeH	beryllium monohydride	beh
38	BeH-	berylium monohydride anion	beh-
39	BeH+	beryllium monohydride cation	beh+
40	MgH-	magnesium monohydride anion	mgh-
41	MgH+	magnesium monohydride cation	mgh+
42	CaH	Calcium monohydride	cah
43	CaH+	Calcium monohydride cation	cah+
44	TiH	Titanium monohydride	tih
45	ZnH	Zinc monohydride	znh
46	BeH2	beryllium dihydride	beh2
47	MgH2	magnesium dihydride	mgh2
48	CaH2	Calcium Hydride	cah2
49	ZnH2	Zinc hydride	znh2
50	B-	Boron atom anion	b-
51	Sc	Scandium atom	sc
52	Sc+	Scandium cation	sc+
53	BH	Boron monohydride	bh
54	BH-	boron monohydride anion	bh-
55	BH+	boron monohydride cation	bh+
56	AlH	aluminum monohydride	alh
57	AlH-	aluminum monohydride anion	alh-
58	AlH+	aluminum monohydride cation	alh+
59	ScH	Scandium monohydride	sch
60	ScH+	Scandium monohydride cation	sch+
61	BH2	boron dihydride	bh2
62	BH2-	boron dihydride anion	bh2-
63	BH2+	Boron dihydride cation	bh2+
64	AlH2	aluminum dihydride	alh2
65	AlH2-	aluminum dihydride anion	alh2-
66	AlH2+	aluminum dihydride cation	alh2+
67	BH3	boron trihydride	bh3
68	BH3-	boron trihydride anion	bh3-
69	AlH3	aluminum trihydride	alh3
70	AlH3+	aluminum trihydride cation	alh3+
71	ScH3	Scandium trihydride	sch3
72	GaH3	Gallium trihydride	gah3
73	BH4	borohydride	bh4
74	AlH4-	Aluminum tetrahydride anion	alh4-
75	C-	Carbon atom anion	c-
76	Ti	Titanium atom	ti
77	Ti-	Titanium atom anion	ti-
78	Ti+	Titanium atom cation	ti+
79	Sn	Tin atom	sn
80	Sn+	Tin cation	sn+
81	CH-	methylidyne anion	ch-
82	CH+	Methylidyne cation	ch+
83	SiH-	silicon monohydride anion	sih-
84	SiH+	silicon monohydride cation	sih+
85	GeH+	Germaniun monohyrdide cation	geh+
86	CH2	Methylene	ch2
87	CH2+	methylene cation	ch2+
88	SiH2	silicon dihydride	sih2
89	SiH2-	silicon dihydride anion	sih2-
90	SiH2+	silicon dihydride cation	sih2+
91	GeH2-	germylene anion	geh2-
92	CH3	Methyl radical	ch3
93	CH3-	methyl anion	ch3-
94	CH3+	methyl cation	ch3+
95	SiH3-	Silyl anion	sih3-
96	SiH3+	Silyl cation	sih3+
97	CD4	methane-d4	cd4
98	CH2D2	methane-d2	ch2d2
99	CH3D	methane-d	ch3d
100	CH4-	Methane anion	ch4-
101	CH4+	Methane cation	ch4+
102	CHD3	methane-d3	chd3
103	SiH4	Silane	sih4
104	SiH4+	Silane cation	sih4+
105	GeH4	Germane	geh4
106	SnH4	Stannane	snh4
107	N-	Nitrogen atom anion	n-
108	P-	Phosphorus atom anion	p-
109	P+	Phosphorus atom cation	p+
110	V	Vanadium atom	v
111	V+	Vanadium atom cation	v+
112	Sb	Antimony atom	sb
113	NH	Imidogen	nh
114	NH-	Imidogen anion	nh-
115	NH+	imidogen cation	nh+
116	PH-	phosphorus monohydride anion	ph-
117	PH+	phosphorus monohydride cation	ph+
118	AsH+	Arsenic monohydride cation	ash+
119	SbH	Antimony monohydride	sbh
120	ND2	Amidogen-d2	nd2
121	NH2-	amino anion	nh2-
122	PH2	Phosphino radical	ph2
123	PH2-	Phosphino anion	ph2-
124	PH2+	Phosphino cation	ph2+
125	AsH2	Arsenic dihydride	ash2
126	AsH2+	Arsenic dihydride cation	ash2+
127	ND3	Ammonia-d3	nd3
128	NH3-	Ammonia anion	nh3-
129	NH3+	ammonia cation	nh3+
130	PH3	Phosphine	ph3
131	SbH3	Stibine	sbh3
132	NH4+	ammonium cation	nh4+
133	PH4+	phosphonium cation	ph4+
134	O-	Oxygen atom anion	o-
135	S-	Sulfur atom anion	s-
136	S+	Sulfur atom cation	s+
137	Cr	Chromium atom	cr
138	Te	Tellurium atom	te
139	Te+	Tellurium atom cation	te+
140	DO	Hydroxyl-d	od
141	OH-	hydroxide anion	oh-
142	DS	Mercapto-d	ds
143	HS	Mercapto radical	hs
144	HS-	mercapto anion	sh-
145	CrH	Chromium hydride	crh
146	CrH+	Chromium hydride cation	crh+
147	TeH	Telluryl radical	teh
148	D2O	Deuterium oxide	d2o
149	D2S	Hydrogen sulfide-d2	d2s
150	H2S	Hydrogen sulfide	h2s
151	H2S-	Hydrogen sulfide anion	h2s-
152	H2S+	Hydrogen sulfide cation	h2s+
153	H2Te	Hydrogen Telluride	h2te
154	H3O+	hydronium cation	h3o+
155	F-	Fluorine atom anion	f-
156	Cl-	Chlorine atom anion	cl-
157	Mn	Manganese atom	mn
158	I	Iodine atom	iodine
159	I-	Iodine atom anion	iodine-
160	I+	Iodine atom cation	iodine+
161	DF	Hydrofluoric acid-d	df
162	DCl	Hydrochloric acid-d	dcl
163	HI	Hydrogen iodide	hi
164	HI+	Hydrogen iodide cation	hi+
165	H2F+	dihydrogen fluoride cation	h2f+
166	H2Cl+	dihydrogen monochloride cation	h2cl+
167	H2I+	Iodonium	h2i+
168	Ne-	Neon atom anion	ne-
169	Ar-	Argon atom anion	ar-
170	Ar+	Argon atom cation	ar+
171	Fe	Iron atom	fe
172	Xe	Xenon atom	xe
173	NeH	neon hydrogen	neh
174	NeH+	neon hydrogen cation	neh+
175	KrH+	Protonated Krypton	krh+
176	XeH+	Xenon, protonated	xeh+
177	H2Ar	H2 Ar dimer	h2ar
178	Co	Cobalt atom	cobalt
179	Ni	Nickel atom	ni
180	Li2	Lithium diatomic	li2
181	Li2-	lithium diatomic anion	li2-
182	Li2+	lithium diatomic cation	li2+
183	NaLi-	lithium sodium anion	lina-
184	NaLi+	lithium sodium cation	lina+
185	LiK	Lithium Potassium	lik
186	Na2+	sodium diatomic cation	na2+
187	NaK	Sodium Potassium	nak
188	NaK+	Sodium Potassium diatomic cation	nak+
189	K2	Potassium diatomic	k2
190	Cu2	Copper diatomic	cu2
191	LiBe	Lithium Beryllium	libe
192	LiMg	Lithium magnesium	limg
193	NaBe	Sodium Beryllium	nabe
194	NaMg	Sodium Magnesium	namg
195	Be2	Beryllium diatomic	be2
196	Be2-	Beryllium diatomic anion	be2-
197	Be2+	Beryllium diatomic cation	be2+
198	BeMg	Beryllium Magnesium	bemg
199	Mg2	Magnesium diatomic	mg2
200	Mg2-	magnesium diatomic anion	mg2-
201	Mg2+	magnesium diatomic cation	mg2+
202	Ca2	Calcium diatomic	ca2
203	LiB	Lithium boride	lib
204	NaAl	Sodium aluminum	naal
205	BeB	Beryllium monoboride	beb
206	B2	Boron diatomic	b2
207	B2-	Boron diatomic anion	b2-
208	B2+	Boron diatomic cation	b2+
209	BAl	Boron Aluminum	bal
210	Al2	Aluminum diatomic	al2
211	Al2-	aluminum diatomic anion	al2-
212	Al2+	aluminum diatomic cation	al2+
213	BGa	Boron Gallium	bga
214	AlGa	Aluminum Gallium	alga
215	Ga2	Gallium diatomic	ga2
216	LiBH4	Lithium borohydride	libh4
217	B2H4	Diborane(4) D2d	b2h4
218	HBHHBH	Diborane(4) C2V	hbhhbh
219	B2H6	Diborane	b2h6
220	Al2H6	dialane	al2h6
221	Ga2H6	digallane	ga2h6
222	LiC	Lithium Carbide	lic
223	BeC	Beryllium Carbide	bec
224	BC	boron monocarbide	bc
225	BC-	boron monocarbide anion	bc-
226	BC+	boron monocarbide cation	bc+
227	AlC	Aluminum carbide	alc
228	BSi	Boron silicide	bsi
229	C2	Carbon diatomic	c2
230	C2-	carbon diatomic anion	c2-
231	C2+	carbon diatomic cation	c2+
232	SiC	silicon monocarbide	sic
233	SiC-	silicon monocarbide anion	sic-
234	SiC+	silicon monocarbide cation	sic+
235	Si2	Silicon diatomic	si2
236	Si2-	silcon diatomic anion	si2-
237	Si2+	silcon diatomic cation	si2+
238	Ge2	Germanium diatomic	ge2
239	C2H	Ethynyl radical	c2h
240	C2H-	Ethynyl anion	c2h-
241	C2H+	Ethynyl cation	c2h+
242	ZnCH2	Zinc methylene	znch2
243	ZnCH3	Zinc monomethyl	znch3
244	CH2BH	methyleneborane	ch2bh
245	C2H3-	vinyl anion	c2h3-
246	C2H4-	Ethylene anion	c2h4-
247	C2H4+	Ethylene cation	c2h4+
248	CH3CH	methylmethylene	ch3ch
249	CH2SiH2	silaethylene	ch2sih2
250	CH3BH2	methylborane	ch3bh2
251	C2H5-	Ethyl anion	c2h5-
252	C2H5+	Ethyl cation	c2h5+
253	C2H6+	ethane cation	c2h6+
254	CH3SiH3	methyl silane	ch3sih3
255	GeH3CH3	methyl germane	geh3ch3
256	C2H7+	Ethane, protonated	c2h7+
257	LiN+	Lithium Nitride cation	lin+
258	BeN	Beryllium mononitride	ben
259	BeN-	Beryllium mononitride anion	ben-
260	BeN+	Beryllium mononitride cation	ben+
261	BN-	boron nitride anion	bn-
262	AlN-	aluminum mononitride anion	aln-
263	AlN+	aluminum mononitride cation	aln+
264	BP	Boron monophosphide	bp
265	AlP	Aluminum monophosphide	alp
266	GaN	Gallium mononitride	gan
267	GaP	Gallium monophosphide	gap
268	BN+	boron nitride cation	bn+
269	CN-	cyanide anion	cn-
270	CN+	Cyano cation	cn+
271	CP	Carbon monophosphide	cp
272	CP-	carbon monophosphide anion	cp-
273	CP+	carbon monophosphide cation	cp+
274	SiN	Silicon nitride	sin
275	SiN-	silicon mononitride anion	sin-
276	SiN+	silicon mononitride cation	sin+
277	SiP-	Silicon monophosphide anion	sip-
278	SiP+	Silicon monophosphide cation	sip+
279	TiN	Titanium mononitride	tin
280	N2-	nitrogen diatomic anion	n2-
281	N2+	diatomic nitrogen cation	n2+
282	PN-	phosphorus nitride anion	pn-
283	PN+	phosphorus nitride cation	pn+
284	P2	Phosphorus diatomic	p2
285	P2-	phosphorus diatomic anion	p2-
286	P2+	phosphorus diatomic cation	p2+
287	AsN	Arsenic mononitride	asn
288	AsP	Arsenic monophosphide	asp
289	SbN	Antimony nitride	sbn
290	As2	Arsenic diatomic	as2
291	HNB	hydrogen nitrogen boron	hnb
292	HNC	hydrogen isocyanide	hnc
293	HCN-	Hydrogen cyanide anion	hcn-
294	HCP	Phosphaethyne	hcp
295	HPO	Hydrogen phosphorus oxide	hpo
296	HPO+	Hydrogen phosphorus oxide cation	hpo+
297	HBNH	Boranimine	hbnh
298	CNH2	Aminomethylidyne radical	cnh2
299	CNH2+	N-protonated hydrogen isocyanide	cnh2+
300	H2CN	Dihydrogen cyanide radical	h2cn
301	H2CN+	hydrocyanonium cation	h2cn+
302	HCNH	methyleneazane	hcnh
303	HCNH+	N-protonated HCN	hcnh+
304	N2H2	(Z)-Diazene	n2h2z
305	N2H2+	trans-diazene cation	n2h2+
306	CH2PH	Phosphaethene	ch3p
307	CH2NH2+	methyleneamine cation	ch2nh2+
308	N2H4	Hydrazine	n2h4
309	N2H4+	hydrazine cation	n2h4+
310	P2H4	Diphosphine	p2h4
311	CH3NH2+	methyl amine cation	ch3nh2+
312	CH3PH2	Methyl phosphine	ch3ph2
313	N2H5+	protonated hydrazine	n2h5+
314	BH3NH3	borane ammonia	bh3nh3
315	CH3NH3	methyl ammonium radical	ch3nh3
316	CH3NH3+	protonated methylamine	ch3nh3+
317	CH3PH3+	methyl phosphine, protonated	ch3ph3+
318	NH3NH3	Ammonia Dimer	nh3nh3
319	LiO	lithium oxide	lio
320	LiO-	lithium oxide anion	lio-
321	LiO+	lithium oxide cation	lio+
322	LiS	Lithium monosulfide	lis
323	LiS+	Lithium sulfide cation	lis+
324	NaO	sodium monoxide	nao
325	NaO-	sodium oxide anion	nao-
326	NaO+	sodium oxide cation	nao+
327	KO	Potassium monoxide	ko
328	KO+	Potassium monoxide cation	ko+
329	NaS	Sodium sulfide	nas
330	BeO	beryllium oxide	beo
331	BeO-	Beryllium monoxide anion	beo-
332	BeO+	Beryllium monoxide cation	beo+
333	BeS	beryllium sulfide	bes
334	MgO	magnesium oxide	mgo
335	MgO-	magnesium oxide anion	mgo-
336	MgO+	magnesium oxide cation	mgo+
337	MgS	magnesium sulfide	mgs
338	MgS-	magnesium sulfide anion	mgs-
339	MgS+	magnesium sulfide cation	mgs+
340	CaS	Calcium sulfide	cas
341	ZnO	zinc monoxide	zno
342	ZnS	Zinc sulfide	zns
343	BeS-	Beryllium monosulfide anion	bes-
344	BeS+	Beryllium monosulfide cation	bes+
345	BO	boron monoxide	bo
346	BO-	boron monoxide anion	bo-
347	AlO	Aluminum monoxide	alo
348	AlO-	Aluminum monoxide anion	alo-
349	AlO+	aluminum monoxide cation	alo+
350	BS	boron sulfide	bs
351	BS-	boron monosulfide anion	bs-
352	BS+	boron monosulfide cation	bs+
353	AlS	Aluminum sulfide	als
354	AlS-	aluminum monosulfide anion	als-
355	AlS+	aluminum monosulfide cation	als+
356	ScO	Scandium monoxide	sco
357	BO+	boron monoxide cation	bo+
358	CO-	carbon monoxide anion	co-
359	CS	carbon monosulfide	cs
360	CS-	carbon monosulfide anion	cs-
361	CS+	carbon monosulfide cation	cs+
362	SiO-	silicon monoxide anion	sio-
363	SiO+	silicon monoxide cation	sio+
364	SiS-	silicon monosulfide anion	sis-
365	SiS+	silicon monosulfide cation	sis+
366	TiO	Titanium monoxide	tio
367	CSe-	Carbon monoselenide anion	cse-
368	CSe+	Carbon monoselenide cation	cse+
369	GeO+	Germanium monoxide cation	geo+
370	GeS	Germanium monosulfide	ges
371	NO+	nitric oxide cation	no+
372	NS	Mononitrogen monosulfide	ns
373	NS-	nitrogen sulfide anion	ns-
374	NS+	nitrogen sulfide cation	ns+
375	PO	Phosphorus monoxide	po
376	PO-	phosphorus monoxide anion	po-
377	PO+	phosphorus monoxide cation	po+
378	PS-	phosphorus monosulfide anion	ps-
379	PS+	phosphorus monosulfide cation	ps+
380	VO	Vanadium monoxide	vo
381	AsO	Arsenic monoxide	aso
382	NSe	Nitrogen monoselenide	nse
383	AsS	Arsenic monosulfide	ass
384	PSe	Phosphorus monoselenide	pse
385	AsSe	Arsenic monoselenide	asse
386	O2-	oxygen diatomic anion	o2-
387	O2+	diatomic oxygen cation	o2+
388	SO-	sulfur monoxide anion	so-
389	S2-	sulfur diatomic anion	s2-
390	S2+	sulfur diatomic cation	s2+
391	SeO-	selenium monoxide anion	seo-
392	SeO+	selenium monoxide cation	seo+
393	SeS	Selenium monosulfide	ses
394	SeS-	selenium monosulfide anion	ses-
395	SeS+	selenium monosulfide cation	ses+
396	TeO	Tellurium monoxide	teo
397	Se2-	selenium diatomic anion	se2-
398	Se2+	selenium diatomic cation	se2+
399	Te2	Tellurium diatomic	te2
400	LiOH	lithium hydroxide	lioh
401	NaOH	sodium hydroxide	naoh
402	KOH	Potassium hydroxide	koh
403	MgOH	magnesium hydroxide	mgoh
404	HBO	Boron hydride oxide	hbo
405	COH+	Carbon Monoxide, protonated	coh+
406	HCO-	formyl anion	hco-
407	HCS-	Thioformyl anion	hcs-
408	HCS+	Thioformyl cation	hcs+
409	HNO-	Nitrosyl hydride anion	hno-
410	NOH	Hydroxyimidogen	noh
411	NOH+	O-protonated nitric oxide	noh+
412	HNS	Sulfur imide	hns
413	HNS-	Sulfur imide anion	hns-
414	HO2	Hydroperoxy radical	ho2
415	HO2-	Hydroperoxy anion	ho2-
416	HO2+	Hydroperoxy cation	ho2+
417	HS2	Thiosulfeno radical	hs2
418	HOCH	hydroxycarbene	hoch
419	H2CS+	thioformaldehyde cation	h2cs+
420	H2NO	nitroxide	h2no
421	H2O2+	Hydrogen peroxide cation	h2o2+
422	H2S2	Disulfane	h2s2
423	H2S2+	hydrogen disulfide cation	h2s2+
424	CH2OH	Hydroxymethyl radical	ch2oh
425	CH2OH+	hydroxymethyl cation	ch2oh+
426	CH3O	Methoxy radical	ch3o
427	CH3O-	methoxy anion	ch3o-
428	CH3O+	Methoxy cation	ch3o+
429	CH3S	thiomethoxy	ch3s
430	H2CSH+	Thioformaldehyde, protonated	h2csh+
431	NH3O	Ammonia Oxide	nh3o
432	H2POH	Phosphinous acid	h2poh
433	H3PO	Phosphine oxide	h3po
434	H3O2+	hydrogen peroxide, protonated	h3o2+
435	CH3OH-	Methyl alcohol anion	ch3oh-
436	CH3SH	Methanethiol	ch3sh
437	CH3SH+	Methanethiol cation	ch3sh+
438	CH3SeH	Methane selenol	ch3seh
439	H2OH2O	water dimer	h2oh2o
440	CH3OH2+	Methanol, protonated	ch3oh2+
441	CH3SH2+	protonated methylsulfide	ch3sh2+
442	H2ONH3	Water Ammonia Dimer	h2onh3
443	H5O2+	Dihydroxonium ion	h5o2+
444	LiCl-	lithium chloride anion	licl-
445	LiCl+	lithium chloride cation	licl+
446	NaF	sodium fluoride	naf
447	NaF-	sodium fluoride anion	naf-
448	KF	Potassium Fluoride	kf
449	NaCl	Sodium Chloride	nacl
450	NaCl-	sodium chloride anion	nacl-
451	NaCl+	sodium chloride cation	nacl+
452	KCl	Potassium Chloride	kcl
453	LiBr-	lithium bromide anion	libr-
454	LiBr+	lithium bromide cation	libr+
455	NaBr-	sodium bromide anion	nabr-
456	NaBr+	sodium bromide cation	nabr+
457	KBr	Potassium Bromide	kbr
458	LiI	Lithium Iodide	lii
459	NaI	Sodium Iodide	nai
460	KI	Potassium Iodide	ki
461	LiF-	lithium fluoride anion	lif-
462	BeF	Beryllium monofluoride	bef
463	BeF-	Beryllium monofluoride anion	bef-
464	BeF+	Beryllium monofluoride cation	bef+
465	BeCl	beryllium monochloride	becl
466	MgF	Magnesium monofluoride	mgf
467	MgF-	magnesium fluoride anion	mgf-
468	MgF+	magnesium fluoride cation	mgf+
469	CaF	Calcium monofluoride	caf
470	MgCl	magnesium monochloride	mgcl
471	MgCl-	magnesium monochloride anion	mgcl-
472	MgCl+	magnesium monochloride cation	mgcl+
473	CaCl	calcium monochloride	cacl
474	TiCl	Titanium Monochloride	ticl
475	ZnF	Zinc monofluoride	znf
476	ZnF-	Zinc monofluoride anion	znf-
477	ZnF+	Zinc monofluoride cation	znf+
478	ZnCl	Zinc monochloride	zncl
479	BeCl-	beryllium monochloride anion	becl-
480	BeCl+	beryllium monochloride cation	becl+
481	BF-	Boron monofluoride anion	bf-
482	BF+	Boron monofluoride cation	bf+
483	AlF-	Aluminum monofluoride anion	alf-
484	AlF+	Aluminum monofluoride cation	alf+
485	BCl	boron monochloride	bcl
486	BCl-	boron monochloride anion	bcl-
487	BCl+	boron monochloride cation	bcl+
488	AlCl	Aluminum monochloride	alcl
489	AlCl-	aluminum monochloride anion	alcl-
490	AlCl+	aluminum monochloride cation	alcl+
491	ScF	Scandium monofluoride	scf
492	BBr	Boron monobromide	bbr
493	GaF+	Gallium monofluoride cation	gaf+
494	GaCl+	Gallium monochloride cation	gacl+
495	AlI	Aluminum monoiodide	ali
496	CF-	carbon monofluoride anion	cf-
497	CF+	carbon monofluoride cation	cf+
498	CCl	carbon monochloride	ccl
499	CCl-	carbon monochloride anion	ccl-
500	CCl+	carbon monochloride cation	ccl+
501	SiF	silicon monofluoride	sif
502	SiF-	silicon monofluoride anion	sif-
503	SiF+	silicon monofluoride cation	sif+
504	SiCl-	silicon monochloride anion	sicl-
505	SiCl+	silicon monochloride cation	sicl+
506	CBr	Carbon monobromide	cbr
507	GeF+	Germanium monofluoride cation	gef+
508	NF	nitrogen fluoride	nf
509	NF-	nitrogen monofluorine anion	nf-
510	NF+	nitrogen monofluoirde cation	nf+
511	NCl-	nitrogen monochloride anion	ncl-
512	NCl+	nitrogen monochloride cation	ncl+
513	PF	phosphorus monofluoride	pf
514	PF-	phosphorus monofluoride anion	pf-
515	PF+	phosphorus monofluoride cation	pf+
516	PCl	phosphorus chloride	pcl
517	PCl-	phosphorus monochloride anion	pcl-
518	PCl+	phosphorus monochloride cation	pcl+
519	AsF	Arsenic monofluoride	asf
520	NBr	nitrogen monobromide	nbr
521	AsCl	Arsenic monochloride	ascl
522	SbF	Antimony monofluoride	sbf
523	SbCl	Antimony monochloride	sbcl
524	FO	Oxygen monofluoride	fo
525	FO-	flourine oxide anion	fo-
526	FO+	fluorine monoxide cation	fo+
527	ClO-	chlorine monoxide anion	clo-
528	SF-	sulfur monofluoride anion	sf-
529	SCl	sulfur monochloride	scl
530	SCl-	sulfur monochloride anion	scl-
531	BrO-	Bromine monoxide anion	bro-
532	SeF	Selenium monofluoride	sef
533	SeCl	Selenium monochloride	secl
534	IO	Iodine monoxide	io
535	F2-	flourine diatomic anion	f2-
536	ClF-	clorine monofluoride anion	clf-
537	Cl2-	chlorine diatomic anion	cl2-
538	BrF-	bromine fluoride anion	brf-
539	BrF+	bromine fluoride cation	brf+
540	BrCl-	bromine chloride anion	brcl-
541	BrCl+	bromine chloride cation	brcl+
542	IF	Iodine monofluoride	if
543	ICl	Iodine monochloride	icl
544	IBr	Iodine monobromide	ibr
545	I2	Iodine diatomic	i2
546	I2+	Iodine diatomic cation	i2+
547	HCCl	Chloromethylene	hccl
548	CHBr	bromomethylene	chbr
549	DOCl	Hypochlorous acid-d	docl
550	HOBr+	Hypobromous acid cation	hobr+
551	HOI	Hypoiodous acid	hoi
552	F2H+	Fluorine, protonated	f2h+
553	FHF	Hydrogen difluoride	fhf
554	FHF-	Hydrogen difluoride anion	fhf-
555	Cl2H+	Chlorine, protonated	cl2h+
556	CH2F	fluoromethyl radical	ch2f
557	NH2F	monofluoroamine	nh2f
558	H2F2	Hydrogen fluoride dimer	h2f2
559	CD3F	methylfluoride-d3	cd3f
560	CH3F	Methyl fluoride	ch3f
561	CD3Cl	methyl chloride d3	cd3cl
562	SiH3Br	bromosilane	sih3br
563	CH3I	methyl iodide	ch3i
564	SiH3I	Silyl Iodide	sih3i
565	Ne2	Neon diatomic	ne2
566	Ne2+	Neon diatomic cation	ne2+
567	Ar2+	Argon diatomic cation	ar2+
568	Li3	Lithium trimer	li3
569	Li3+	Lithium trimer cation	li3+
570	C3+	carbon trimer cation	c3+
571	C3H3	cyclopropenyl radical	cpr
572	C3H3	Propargyl radical	propargyl
573	C3H3-	Propargyl anion	c3h3-
574	C3H3+	cyclopropenyl cation	cpr+
575	C3H3+	Propargyl cation	c3h3+
576	C3H5+	Allyl cation	allyl+
577	CH3CHCH	1-propenyl radical	ch3chch
578	Zn(CH3)2	dimethyl zinc	dmz
579	C3H7+	cyclopropane, protonated	c3h7+
580	CH3CHCH3	Isopropyl radical	isopropyl
581	CH3CHCH3+	Isopropyl cation	prop2yl+
582	C3H8	Propane	propane
583	SiH2(CH3)2	dimethylsilane	dms
584	LiCN	lithium cyanide	licn
585	NaCN	Sodium Cyanide	nacn
586	KCN	Potassium cyanide	kcn
587	CuCN	Copper cyanide	cucn
588	ZnCN	Zinc monocyanide	zncn
589	ZnNC	Zinc isocyanide	znnc
590	CN2	3H-Diazirin-3-ylidene	cn2
591	NCN	Cyanoimidogen	ncn
592	N3	azide radical	n3
593	N3-	azide anion	n3-
594	N3+	azide cation	n3+
595	HCCN	cyanomethylene	hccn
596	HCNN	diazomethyl radical	hcnn
597	CH2N2	diazirine	ch2n2
598	NH2CN	cyanamide	cyanamide
599	CH3CN+	Acetonitrile cation	ch3cn+
600	HNCNH2+	diiminomethane, protonated	hncnh2+
601	NCNH3+	Cyanamide, protonated	ncnh3+
602	CH2CHNH	vinylazine	ch2chnh
603	CH3CHN	methylmethaniminyl radical	ch3chn
604	NHCHNH2	aminomethanimine	cn2h4
605	C2H5N	Aziridine	c2h5n
606	CH2CHNH2	aminoethene	aminoethene
607	CH2NCH3	N-methylmethanimine	nmm
608	CH3CHNH	ethanimine	ethanimine
609	NH2BHNH2	diaminoborane	nh2bhnh2
610	C2H5NH+	Protonated Aziridine	c2h5nh+
611	C2H6N+	aziridine, protonated	c2h6n+
612	NH2CH2NH2	diaminomethane	nh2ch2nh2
613	CH3NHCH3	Dimethylamine	ch3nhch3
614	CH3PHCH3	dimethylphosphine	ch3phch3
615	NH2CH2NH3+	diaminoethane, protonated	pdam
616	(CH3)2NH2+	dimethylammonium cation	dmam
617	CH3CH2NH3+	ethylamine, protonated	pea
618	Li2O	dilithium oxide	li2o
619	Li2O+	dilithium oxide cation	li2o+
620	Li2S	dilithium sulfide	li2s
621	Na2O	disodium monoxide	na2o
622	CCO	Dicarbon monoxide	cco
623	CNO-	fulminate	cno-
624	NCO-	cyanate	nco-
625	SCN	thiocyanato radical	scn
626	SCN-	thiocyanide anion	scn-
627	BO2	Boron dioxide	bo2
628	BO2-	Boron dioxide anion	bo2-
629	BO2+	Boron dioxide cation	bo2+
630	N2O-	Nitrous oxide anion	n2o-
631	N2O+	Nitrous oxide cation	n2o+
632	NNS	Nitrogen sulfide	nns
633	PPO	Phosphorus oxide phosphide	ppo
634	CO2-	Carbon dioxide anion	co2-
635	CO2+	Carbon dioxide cation	co2+
636	OCS+	Carbonyl sulfide cation	cos+
637	SiO2	silicon dioxide	sio2
638	CS2-	Carbon disulfide anion	cs2-
639	CS2+	Carbon disulfide cation	cs2+
640	TiO2	Titanium dioxide	tio2
641	SiS2	Silicon disulfide	sis2
642	GeS2	Germanium disulfide	ges2
643	CSe2	Carbon diselenide	cse2
644	SCTe	Carbon sulfide Telluride	scte
645	NO2	Nitrogen dioxide	no2
646	NO2-	Nitrogen dioxide anion	no2-
647	NO2+	Nitrogen dioxide cation	no2+
648	PO2	Phosphorus dioxide	po2
649	PO2-	Phosphorus dioxide anion	po2-
650	PO2+	Phosphorus dioxide cation	po2+
651	AsO2	Aresenic dioxide	aso2
652	O3	Ozone	o3
653	O3-	Ozone anion	o3-
654	O3+	Ozone cation	o3+
655	SO2-	Sulfur dioxide anion	so2-
656	SO2+	Sulfur dioxide cation	so2+
657	S3-	Sulfur trimer anion	s3-
658	S3+	Sulfur trimer cation	s3+
659	SeO2+	Selenium dioxide cation	seo2+
660	TeO2	Tellurium Dioxide	teo2
661	CS2H+	Carbon disulfide, protonated	cs2h+
662	HNCO	Isocyanic acid	hnco
663	HCO2-	formate anion	hco2-
664	HNNO	nitrosoazane	hnno
665	HNNO+	Nitrous oxide, N-protonated	hnno+
666	NNOH+	Nitrous Oxide, O-protonated	nnoh+
667	HCOO	formate neutral radical	hcoo
668	HOCO+	Hydrocarboxyl cation	hoco+
669	HNO2	Nitrous acid	hno2
670	HNO2+	nitrous acid cation	hno2+
671	SO2H+	protonated sulfur dioxide	so2h+
672	CH2CO+	Ketene cation	ch2co+
673	Mg(OH)2	Magnesium dihydroxide	h2mgo2
674	NH2NO	Nitrosamide	nh2no
675	H2COO	Dioxymethyl radical	h2coo
676	H2COO+	dioxymethyl cation	h2coo+
677	H2O3	Hydrogen trioxide	h2o3
678	HSSSH	trisulfane	hsssh
679	NaOCH3	Sodium methoxide	naoch3
680	CH2BOH	hydroxy(methylene)borane	ch2boh
681	CH3BO	Borane, methyloxo-	ch3bo
682	CH2CHO	Vinyloxy radical	ch2cho
683	CH2COH+	ketene, protonated	ch2coh+
684	CH3CO	Acetyl radical	ch3co
685	CH3CO-	Acetyl anion	ch3co-
686	CH3CO+	acetyl cation	ch3co+
687	CH2NOH	formaldoxime	ch2noh
688	CH3NO	nitrosomethane	ch3no
689	CHONH2	formamide	formamide
690	CNOH3	1,2-oxaziridine	cnoh3
691	HOCHNH	hydroxymethylimine	hochnh
692	CH2OOH	CH2OOH radical	ch2ooh
693	CH3OO	methylperoxy radical	ch3oo
694	CH3OO-	methylperoxy anion	ch3oo-
695	CH3OO+	methylperoxy cation	ch3oo+
696	H2CONH2+	protonated formamide	h2conh2+
697	NH3CHO+	Formamide, N-Protonated	nh3cho+
698	CH2(OH)2	methanediol	ch2o2h2
699	CH3OOH	Methyl peroxide	ch3ooh
700	H2OH2CO	water formaldehyde dimer	h2oh2co
701	C2H4OH+	ethylene oxide, protonated	c2h4oh+
702	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
703	CH3CH2O	Ethoxy radical	ethoxy
704	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
705	CH3CHOH+	acetaldehyde, protonated	ch3choh+
706	CH3OCH2	methoxymethyl radical	ch3och2
707	CH3CH2OH	Ethanol	etoh
708	CH3OCH3	Dimethyl ether	meome
709	CH3SeCH3	dimethylselenide	dmse
710	CH3OHH2O	methanol water dimer	ch3ohh2o
711	H2OCH3OH	water methanol dimer	h2och3oh
712	CuF2	Copper difluoride	cuf2
713	ZnF2	Zinc difluoride	znf2
714	CNF	iso cyanogen fluoride	cnf
715	FCN	Cyanogen fluoride	fcn
716	ClCN	chlorocyanogen	clcn
717	ICN	Cyanogen iodide	icn
718	BeF2	Beryllium fluoride	bef2
719	MgF2	Magnesium fluoride	mgf2
720	BeCl2	Beryllium chloride	becl2
721	MgCl2	Magnesium dichloride	mgcl2
722	CaCl2	Calcium Chloride	cacl2
723	ZnCl2	Zinc dichloride	zncl2
724	FCO	Carbonyl fluoride	fco
725	FCO+	Carbonyl fluoride cation	fco+
726	ClCO	carbonyl monochloride	clco
727	BF2	Boron difluoride radical	bf2
728	FNS	Thionitrosyl fluoride	fns
729	FSN	Thiazyl fluoride	fsn
730	BrNO	Nitrosyl bromide	brno
731	INO	Nitrosyl iodide	ino
732	CF2-	Difluoromethylene anion	cf2-
733	CF2+	Difluoromethylene cation	cf2+
734	CFCl	chlorofluoromethylene	cfcl
735	SiF2+	Silicon difluoride cation	sif2+
736	CCl2	dichloromethylene	ccl2
737	CCl2-	dichloromethylene anion	ccl2-
738	CCl2+	dichloromethylene cation	ccl2+
739	SiCl2	Dichlorosilylene	sicl2
740	GeF2	Germanium difluoride	gef2
741	CBr2	dibromomethylene	cbr2
742	FOO	Dioxygen monofluoride radical	foo
743	ClOO	chloroperoxy radical	cloo
744	ClOO+	chloroperoxy cation	cloo+
745	OClO+	Chlorine dioxide cation	oclo+
746	ClSO	Sulfur chloride oxide	clso
747	ClS2	Sulfur chloride	cls2
748	OBrO	Bromine dioxide radical	obro
749	NF2	Difluoroamino radical	nf2
750	NF2+	Difluoroamino cation	nf2+
751	FClO	chlorosyl fluoride	fclo
752	F2O	Difluorine monoxide	f2o
753	ClOF	Chlorine hypofluorite	clof
754	SF2-	sulfur difluoride anion	sf2-
755	SF2+	sulfur difluoride cation	sf2+
756	Cl2O	Dichlorine monoxide	cl2o
757	SCl2	Sulfur dichloride	scl2
758	BrOCl	Bromine hypochlorite	brocl
759	BrOBr	Bromine oxide	brobr
760	F3-	trifluoride anion	f3-
761	Cl3-	trichloride anion	cl3-
762	I3-	triiodide	i3-
763	HCCF+	fluoroacetylene cation	hccf+
764	HCCCl	Chloroacetylene	hcccl
765	HCCBr	bromoacetylene	hccbr
766	HFCO+	formyl fluoride cation	hfco+
767	COHCl	Formyl chloride	cohcl
768	COHBr	Formyl bromide	cohbr
769	BHF2	Difluoroborane	bhf2
770	BHCl2	Borane, dichloro-	bhcl2
771	CHCl2	dichloromethyl radical	chcl2
772	HOClO	Chlorous acid	hoclo
773	CH2FCl	fluorochloromethane	ch2fcl
774	CH2BrF	Methane, bromofluoro-	ch2fbr
775	CH2ClI	chloroiodomethane	ch2cli
776	CH2BrI	bromoiodomethane	ch2bri
777	SiH2Cl2	dichlorosilane	sih2cl2
778	CH2CHF+	fluoroethene cation	ch2chf+
779	C2H3Cl	Ethene, chloro-	ch2chcl
780	C2H3Br	vinyl bromide	c2h3br
781	C2H3I	Vinyl iodide	c2h3i
782	CH3OCl	methyl hypochlorite	ch3ocl
783	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
784	CHClCH3	1-chloroethyl radical	chclch3
785	CH3CH2Cl	Ethyl chloride	c2h5cl
786	CH3SiFH2	fluoromethylsilane	ch3sifh2
787	C2H5I	Ethyl iodide	c2h5i
788	KrF2	Krypton difluoride	krf2
789	XeF2	Xenon difluoride	xef2
790	B4H10	Tetraborane(10)	b4h10
791	C4+	Carbon tetramer cation	c4+
792	C4H2	Diacetylene	c4h2
793	C2H3CCH	1-Buten-3-yne	c2h3cch
794	C4H4	cyclobutadiene	cbd
795	H2CCCCH2	Butatriene	h2cccch2
796	C4H6	Cyclobutene	c822355
797	C4H6	Methylenecyclopropane	c6142730
798	CH2CCHCH3	1,2-Butadiene	butad12
799	CH2CHCHCH2	1,3-Butadiene	c106990
800	CH3CCCH3	2-Butyne	c503173
801	CHCCH2CH3	1-Butyne	c107006
802	CH3CHCHCH2	methylallyl radical	c4h7
803	C4H8	methylcyclopropane	mcp
804	CH2C(CH3)CH3	1-Propene, 2-methyl-	isobute
805	CH3CHCHCH3	2-Butene, (E)-	bute2e
806	CH3CHCHCH3	2-Butene, (Z)-	bute2z
807	B(CH3)3	trimethylborane	bme3
808	Al(CH3)3	trimethyl aluminum	tma
809	C(CH3)3	Tert-butyl radical	tbutyl
810	CH2CH(CH3)2	Isobutyl radical	isobutyl
811	CH3CHCH2CH3	2-Butyl radical	butyl2
812	CH3CH(CH3)CH3	Isobutane	isobutane
813	CH3CH2CH2CH3	Butane	butane
814	SiH(CH3)3	trimethylsilane	trimsi
815	Li3N	trilithium nitride	li3n
816	C2N2	Cyanogen	c2n2
817	C2N2+	Cyanogen cation	c2n2+
818	P4	Phosphorus tetramer	p4
819	HCCCN	Cyanoacetylene	hcccn
820	HCCCN+	Cyanoacetylene cation	hcccn+
821	C3H3N	acrylonitrile	ch2chcn
822	C3H3N+	acrylonitrile cation	ch2chcn+
823	CH3N3	methyl azide	ch3n3
824	NH2CCNH2	Diaminoacetylene	daa
825	NH2CH2CN	Aminoacetonitrile	aan
826	CH3NHN2+	methyl azide, protonated	ch3nhn2+
827	CH5N3	Guanidine	guanidine
828	C4H6	Bicyclo[1.1.0]butane	c157335
829	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
830	CH6N3+	guanidinium	ch6n3+
831	C3H7N	Cyclopropylamine	cpram
832	CH7N3	triaminomethane	tam
833	C3H7N	Azetidine	azet
834	C4H8	cyclobutane	cbutane
835	C2H8N2	Ethylenediamine	ethdiam
836	CH3NHNHCH3	dimethyl hydrazine	dmh
837	CH3CH(NH2)CH3	2-Propanamine	pram2
838	N(CH3)3	Trimethylamine	trimeam
839	NH2CH2CH2CH3	1-Propanamine	pram1
840	P(CH3)3	trimethylphosphine	tmp
841	As(CH3)3	trimethyl arsine	tmas
842	(CH3)3NH+	protonated trimethyl amine	ptma
843	C3H7NH3+	n-propylamine, protonated	c3h7nh2
844	Li2O2	dilithium dioxide	li2o2
845	C3O	Tricarbon monoxide	c3o
846	B2O2	Diboron dioxide	b2o2
847	S2N2	Disulfur dinitride	s2n2
848	CO3	Carbon trioxide	co3
849	CO3--	carbonate	co3--
850	NO3	Nitrogen trioxide	no3
851	NO3-	nitrate anion	no3-
852	NO3+	nitrogen trioxide cation	no3+
853	SO3-	Sulfur trioxide anion	so3-
854	SO3+	Sulfur trioxide cation	so3+
855	SeO3	selenium trioxide	seo3
856	TeO3	Tellurium trioxide	teo3
857	HCO3-	bicarbonate anion	hco3-
858	HSO3	Hydroxysulfonyl radical	hso3
859	NH2NO2	nitramide	nh2no2
860	C2H2CO	cyclopropenone	c2h2co
861	HCCCHO	2-propynal	hcccho
862	C2H2O2+	Ethanedial cation	c2h2o2+
863	H2CO3	Carbonic acid	h2co3
864	H2CS3	thiocarbonic acid	h2cs3
865	H2NO3+	Nitric Acid, Protonated	h2no3+
866	H2SO3	Sulfurous acid	h2so3
867	CH3COO-	acetate anion	ch3coo-
868	CH3ONO	Methyl nitrite	ch3ono
869	NH2COOH	Carbamic acid	nh2cooh
870	H3BO3	Boric acid	h3bo3
871	H3CO3+	carbonic acid, protonated	h3co3+
872	C3H4O	2-Propyn-1-ol	c107197
873	C3H4O	allenol	c9000071
874	C3H4O	Cyclopropanone	cpone
875	C3H4O	Methylketene	c6004440
876	NH2CONH2	Urea	urea
877	NH2CONH2+	Urea cation	urea+
878	NH2CSNH2	Thiourea	thiourea
879	C2H4O2	1,3-dioxetane	c2h4o2
880	CH3COOH	Acetic acid	ch3cooh
881	CH3OCHO	methyl formate	ch3ocho
882	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
883	NH3COOH+	protonated Carbamic acid	nh3cooh+
884	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
885	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
886	HCOOHH2O	Formic acid water dimer	hcoohh2o
887	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
888	CH3COCH2	Acetonyl radical	ch3coch2
889	CH3CHNOH	Acetaldoxime	acetaldoxime
890	CH3CONH2	Acetamide	acetamide
891	HCONHCH3	N-methylformamide	nmfa
892	CH5N2O+	urea, N-protonated	ch4n2o+
893	H2NCOHNH2+	urea, protonated	ureah+
894	C2H5OO	ethylperoxy radical	c2h5oo
895	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
896	C3H5OH	Cyclopropanol	cproh
897	C3H6O	2-Propen-1-ol	c107186
898	C3H6O	Acetone enol	enol
899	C3H6O	Oxetane	oxetane
900	C3H6O	Propylene oxide	prox
901	CH3COCH3	Acetone	acetone
902	CH3COCH3-	acetone anion	ch3coch3-
903	C3H6S	Thietane	thietane
904	C3H6S	Thiirane, methyl-	methiirane
905	CH3CSCH3	Thioacetone	ch3csch3
906	C2H6O2	1,2-Ethanediol	ethdiol
907	CH3OOCH3	dimethylperoxide	dmp
908	CH3SOCH3	Dimethyl sulfoxide	dmso
909	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
910	CH3SSCH3	Disulfide, dimethyl	ch3ssch3
911	CH3COHCH3+	acetone, protonated	acetoneh+
912	HOCH2CH2NH2	monoethanolamine	mea
913	CH3CHOHCH3	Isopropyl alcohol	isoproh
914	CH3OC2H5	Ethane, methoxy-	etome
915	C3H7SH	1-Propanethiol	prsh
916	CH3CHSHCH3	2-Propanethiol	isoprsh
917	CH3SCH2CH3	Ethane, (methylthio)-	etsme
918	H2OCH3OCH3	water dimethylether dimer	h2och3och3
919	Na2F2	Sodium Fluoride Dimer	na2f2
920	Na2Cl2	Disodium dichloride	na2cl2
921	C2Cl2	dichloroacetylene	c2cl2
922	C2Cl2+	dichloroacetylene cation	c2cl2+
923	FNO2	Nitryl fluoride	fno2
924	FONO	Nitrosyl hypofluorite	fono
925	ClNO2	Nitryl chloride	clno2
926	ClONO	chlorine nitrite	clono
927	BrONO	Bromine nitrite	brono
928	N2F2	(Z)-Difluorodiazene	n2f2_z
929	N2F2	Dinitrogen difluoride, (E)-	n2f2_e
930	COFCl	Carbonic chloride fluoride	cofcl
931	CCl2O	Phosgene	cl2co
932	Cl2CS	Thiophosgene	cl2cs
933	COBr2	Carbonic dibromide	cobr2
934	BF3-	Borane, trifluoro- anion	bf3-
935	AlF2Cl	Aluminum chloride difluoride	alclf2
936	ScF3	Scandium trifluoride	ScF3
937	AlFCl2	Aluminum dichloride fluoride	alcl2f
938	AlCl3	Aluminum trichloride	alcl3
939	BBr3	Boron tribromide	bbr3
940	AlBr3	Aluminum Bromide	albr3
941	ClO3	Chlorine trioxide	clo3
942	ClO3-	chlorate anion	clo3-
943	BrO3-	Bromate anion	bro3-
944	CF3	Trifluoromethyl radical	cf3
945	CF3-	Trifluoromethyl anion	cf3-
946	CF3+	Trifluoromethyl cation	cf3+
947	SiF3	Silicon trifluoride radical	sif3
948	SiF3+	Silicon trifluoride cation	sif3+
949	CCl3	Trichloromethyl radical	ccl3
950	CCl3-	Trichloromethyl anion	ccl3-
951	CCl3+	Trichloromethyl cation	ccl3+
952	SiCl3	trichlorosilyl radical	sicl3
953	SiCl3+	trichlorosilyl cation	sicl3+
954	FOOF	Perfluoroperoxide	foof
955	ClO2F	Chloryl fluoride	clo2f
956	F2SO	Thionyl Fluoride	f2so
957	ClOOCl	Dichlorine dioxide	cloocl
958	FSSF	Difluorodisulfane	fssf
959	S2F2	Thio-thionyl fluoride	s2f2
960	SOCl2	thionyl chloride	socl2
961	SeOCl2	selenium oxychloride	seocl2
962	NF3-	Nitrogen trifluoride anion	nf3-
963	NF3+	Nitrogen trifluoride cation	nf3+
964	PF3	Phosphorus trifluoride	pf3
965	AsF3	Arsenic trifluoride	asf3
966	PCl3	Phosphorus trichloride	pcl3
967	SbF3	Antimony Trifluoride	sbf3
968	AsCl3	Arsenous trichloride	ascl3
969	SbCl3	Antimony Trichloride	sbcl3
970	PBr3	Phosphorus tribromide	pbr3
971	AsBr3	Arsenic tribromide	asbr3
972	NI3	Nitrogen triiodide	ni3
973	PI3	Phosphorus triiodide	pi3
974	ClSSCl	Disulfur dichloride	s2cl2
975	SF3	Sulfur trifluoride	sf3
976	ClF3	Chlorine trifluoride	clf3
977	BrF3	Bromine trifluoride	brf3
978	IF3	iodone trifluoride	if3
979	CHF2Cl	difluorochloromethane	chf2cl
980	CHFCl2	fluorodichloromethane	chfcl2
981	CDCl3	trichloromethane-d	cdcl3
982	CHCl3	Chloroform	chcl3
983	SiHCl3	Trichlorosilane	sihcl3
984	CHFClBr	fluorochlorobromomethane	chfclbr
985	CHCl2I	dichloroiodomethane	chcl2i
986	CHClBr2	Methane, dibromochloro-	chclbr2
987	CHBr3	bromoform	chbr3
988	CHI3	Iodoform	chi3
989	NF3H+	protonated nitrogen trifluoride	nf3h+
990	AsF3H+	Arsenic trifluoride, protonated	asf3h+
991	CH2CF2	Ethene, 1,1-difluoro-	ch2cf2
992	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
993	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
994	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
995	CH2CCl2	Ethene, 1,1-dichloro-	ch2ccl2
996	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
997	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
998	C2H2Br2	1,1-dibromoethene	c2h2br2
999	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1000	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1001	CH2FCHO	Fluoroacetaldehyde	ch2fcho
1002	CH3COF	Acetyl fluoride	ch3cof
1003	CH2ClCHO	chloroacetaldehyde	ch2clcho
1004	CH3COCl	Acetyl Chloride	ch3cocl
1005	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1006	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1007	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1008	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
1009	CH2CFCH3	2-fluoropropene	2fpro
1010	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
1011	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
1012	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
1013	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
1014	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
1015	CH3CHFCH3	2-Fluoropropane	prf2
1016	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
1017	CH3CHClCH3	Propane, 2-chloro-	prcl2
1018	CH3CH2CH2Br	n-propyl bromide	prbr
1019	CH3CHBrCH3	i-propyl bromide	iprbr
1020	C3H9O+	trimethyl oxonium cation	c3h9o+
1021	B5H9	pentaborane9	b5h9
1022	C5H5	cyclopentadienyl radical	c5h5
1023	C5H5-	cylopentadienyl anion	c5h5-
1024	C5H6	1,3-Cyclopentadiene	c542927
1025	C5H6	1-Buten-3-yne, 2-methyl-	c78808
1026	C5H6	3-Penten-1-yne, (E)-	c2004695
1027	C5H6	3-Penten-1-yne, (Z)-	c1574409
1028	C5H6	Bicyclo[2.1.0]pent-2-ene	c5164352
1029	C5H6	Cyclopropylacetylene	c6746947
1030	C5H6	Propellane	propellane
1031	C5H7	1,3-pentadienyl radical	pdyl
1032	C5H7	cyclopentenyl radical	cpyl
1033	C5H8	1,2-Butadiene, 3-methyl-	c598254
1034	C5H8	1,2-Pentadiene	c591957
1035	C5H8	1,3-Butadiene, 2-methyl-	c78795
1036	C5H8	1,3-Pentadiene, (E)-	c2004708
1037	C5H8	1,3-Pentadiene, (Z)-	c1574410
1038	C5H8	1,4-Pentadiene	c591935
1039	C5H8	1-pentyne	a1pentyne
1040	C5H8	2,3-Pentadiene	c591968
1041	C5H8	Cyclobutane, methylene-	c1120565
1042	C5H8	Cyclopentene	c142290
1043	C5H8	Ethenylcyclopropane	c693867
1044	CH3CCCH2CH3	2-Pentyne	2pentyne
1045	C5H10	1-Butene, 2-methyl-	c563462
1046	C5H10	2-Butene, 2-methyl-	c513359
1047	C5H10	2-Pentene, (E)-	c646048
1048	C5H10	2-Pentene, (Z)-	c627203
1049	C5H10	Cyclopentane	c287923
1050	C5H10	Cyclopropane, 1,1-dimethyl-	c1630940
1051	CH2CHCH2CH2CH3	1-pentene	pentene
1052	C5H11	2-Methylbut-2-yl radical	c4348350
1053	C5H12	Butane, 2-methyl-	buta2
1054	C5H12	Pentane	pentane
1055	C5H12	Propane, 2,2-dimethyl-	neopentane
1056	Si(CH3)4	tetramethylsilane	tms
1057	N2O3	Dinitrogen trioxide	n2o3
1058	C3H2N2	Malononitrile	c3h2n2
1059	CH2N4	1H-Tetrazole	1htz
1060	C3H3N2	imidazolyl radical	im
1061	C3H3N2-	imidizolyl anion	im-
1062	C2H3N3	1H-1,2,4-Triazole	c288880
1063	C4H4N	pyrrolide radical	c4h4n
1064	C4H4N-	pyrrolide anion	c4h4n-
1065	C3H4N2	1H-Imidazole	1himidaz
1066	C3H4N2	1H-Pyrazole	1hpyraz
1067	C3H4N2	2H-Imidazole	imid2h
1068	C3H4N2	4H-Imidazole	imid4h
1069	C4H5N	(E)-2-Butenenitrile	c627269
1070	C4H5N	(Z)-2-Butenenitrile	c1190767
1071	C4H5N	2H-pyrrole	pyrrole2
1072	C4H5N	3H-pyrrole	pyrrole3
1073	C4H5N	Cyclopropanecarbonitrile	c5500210
1074	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1075	C4H6N+	pyrrole, alpha-protonated	appyr
1076	C4H6N+	pyrrole, beta-protonated	bppyr
1077	C4H6N+	pyrrole, protonated	ppyr
1078	C3H6N2	3-Aminopropionitrile	c151188
1079	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1080	CH3CH2CH2CN	Butanenitrile	c109740
1081	C5H8	Bicyclo[2.1.0]pentane	c185944
1082	C5H8	Spiropentane	c157404
1083	C4H9N	Cyclobutylamine	cbam
1084	C4H9N	Pyrrolidine	pyrrolidine
1085	C3H10N2	1,2-Diaminopropane	diampr12
1086	C(CH3)3NH2	2-Propanamine, 2-methyl-	c75649
1087	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	c78819
1088	C(NH2)H2CH2CH2CH3	1-Butanamine	butam1
1089	CH3C(NH2)HCH2CH3	2-Butanamine	butam2
1090	NH(C2H5)2	diethylamine	dea
1091	NC4H12+	tetramethyl ammonium cation	nc4h12+
1092	C3O2+	Carbon suboxide cation	c3o2+
1093	MgCO3	Magnesium Carbonate	mgco3
1094	BeCO3	Beryllium Carbonate	beco3
1095	ONONO	Nitrosyl nitrite	onono
1096	PO4---	phosphate	po4---
1097	SO4--	sulfate	so4--
1098	HOONO2	peroxy nitric acid	hoono2
1099	HSO4-	bisulfate anion	hso4-
1100	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1101	C3H2O2	Propiolic acid	c3h2o2
1102	CHOCOOH	oxo acetic acid	oaa
1103	H2SO4	Sulfuric acid	h2so4
1104	H2SeO4	Selenic acid	h2seo4
1105	C3H3NO	Oxazole	oxazole
1106	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1107	CH3NO3	Methyl nitrate	ch3no3
1108	H3PO4	Phosphoric Acid	h3po4
1109	C4H4O	Furan	furan
1110	C4H4O+	Furan cation	furan+
1111	CH3COCCH	3-butyn-2-one	c1423605
1112	C4H4S	Thiophene	furans
1113	C3H4O2	β–Propiolactone	beta
1114	C3H4O2	2-Propenoic acid	propenoic2
1115	C3H4O2	Methyl glyoxal	megly
1116	C3H4O2	propanedial	propanedial
1117	C3H4O2	propenalol	propenalol
1118	HOCHCCHOH	allenediol	aldiol
1119	C2H4O3	1,2,3-trioxolane	c2h4o3
1120	HOCH2COOH	Hydroxyacetic acid	hac
1121	CH2CHCONH2	Acrylamide	c79061
1122	CH3OCH2CN	Methoxyacetonitrile	c1738369
1123	CH5N3S	Hydrazinecarbothioamide	c79196
1124	H2NCH2COOH	Glycine	glycine
1125	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1126	C4H6O	cis-2-butenal	butenal2c
1127	C4H6O	Cyclobutanone	cbutone
1128	C4H6O	Furan, 2,3-dihydro-	furan23h
1129	C4H6O	Furan, 2,5-dihydro-	furan25h
1130	CH2CHOCHCH2	Vinyl ether	vinylether
1131	CHOCHCHCH3	2-Butenal	butenal2
1132	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1133	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1134	CH2CHSCHCH2	Divinyl sulfide	divis
1135	C2H6N2O	Urea, methyl-	c598505
1136	C3H6O2	1,3-Dioxolane	dioxolane
1137	CH3CH2COOH	Propanoic Acid	propanoic
1138	CH3COOCH3	methyl acetate	aame
1139	C2H6O2S	Dimethyl sulfone	c67710
1140	C3H7NO	dimethylformamide	dmf
1141	C3H7NO	Propanamide	propanam
1142	C2H3OC2H5	Ethene, ethoxy-	c109922
1143	C4H8O	Cyclobutanol	c2919235
1144	C4H8O	Furan, tetrahydro-	thf
1145	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	pre1meo2
1146	CH3COCH2CH3	2-Butanone	buta2one
1147	CHOCH(CH3)CH3	Propanal, 2-methyl-	c78842
1148	CHOCH2CH2CH3	Butanal	butanal
1149	C3H8O2	1,3-Propanediol	c504632
1150	C3H8O2	Hydroperoxide, 1-methylethyl	c3031752
1151	C3H8O2	Methane, dimethoxy-	c109875
1152	C3H8O2	Propylene glycol	c57556
1153	C3H8S2	1,3-Propanedithiol	c109808
1154	C4H10O	1-Butanol	butanol1
1155	C4H10O	1-Propanol, 2-methyl-	c78831
1156	C4H10O	2-Butanol, (.+/-.)-	butanol2
1157	C4H10O	Ethanol, 1,1-dimethyl-	tbuoh
1158	C4H10O	Ethoxy ethane	etoet
1159	C4H10O	Propane, 2-methoxy-	c598538
1160	C4H10O+	1-Butanol cation	butanol1+
1161	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1162	C2H5SC2H5	Diethyl sulfide	etset
1163	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1164	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1165	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1166	FNO3	Fluorine nitrate	fno3
1167	ClONO2	Chlorine nitrate	clono2
1168	BrONO2	Bromine nitrate	brono2
1169	TiCl4	Titanium tetrachloride	ticl4
1170	ClO4-	perchlorate anion	clo4-
1171	BF4-	tetrafluoroboron anion	bf4-
1172	ClFO3	Perchloryl fluoride	clfo3
1173	SO2F2	Sulfuryl fluoride	so2f2
1174	SO2Cl2	Sulfuryl chloride	so2cl2
1175	F3NO	Nitrogen trifluoride oxide	f3no
1176	F3PO	Phosphoryl fluoride	pf3o
1177	Cl3PO	Phosphoryl chloride	pcl3o
1178	CF4	Carbon tetrafluoride	cf4
1179	SiF4	Silicon tetrafluoride	sif4
1180	TiF4	Titanium tetrafluoride	tif4
1181	CFCl3	Trichloromonofluoromethane	cfcl3
1182	CCl4	Carbon tetrachloride	ccl4
1183	CCl4+	Carbon tetrachloride cation	ccl4+
1184	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1185	SiCl4	Silane, tetrachloro-	sicl4
1186	CF3I	trifluoroiodomethane	cf3i
1187	CBrCl3	Methane, bromotrichloro-	cbrcl3
1188	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1189	GeCl4	Germanium Tetrachloride	gecl4
1190	CBr2Cl2	dibromodichloromethane	cbr2cl2
1191	CCl3I	trichloroiodomethane	ccl3i
1192	CFBr3	fluorotribromomethane	cfbr3
1193	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1194	CBr3Cl	tribromochloromethane	cbr3cl
1195	CF2I2	difluorodiiodomethane	cf2i2
1196	CCl2I2	dichlorodiiodomethane	ccl2i2
1197	SiBr4	Silicon tetrabromide	sibr4
1198	CBr3I	tribromoiododmethane	cbr3i
1199	CI4	tetraiodomethane	ci4
1200	SiI4	silicon tetraiodide	sii4
1201	ClOF3	Chlorine trifluoride oxide	clof3
1202	C2HF3+	Trifluoroethylene cation	c2hf3+
1203	CHClCCl2	Trichloroethylene	chclccl2
1204	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1205	HClO4	perchloric acid	hclo4
1206	HSO3F	Fluorosulfonic acid	hso3f
1207	CF3OH	trifluoromethanol	cf3oh
1208	CHClCCHCl	1,3-dichloroallene	chclcchcl
1209	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1210	CH3CF3	Ethane, 1,1,1-trifluoro-	ch3cf3
1211	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1212	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1213	CH2ClCHCl2	1,1,2-trichloroethane	ch2clchcl2
1214	CH3CCl3	Ethane, 1,1,1-trichloro-	ch3ccl3
1215	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1216	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1217	NH3BCl3	Amminetrichloroboron	nh3bcl3
1218	SiH3CCl3	(trichloromethyl)silane	sih3ccl3
1219	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1220	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1221	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1222	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1223	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1224	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1225	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1226	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1227	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1228	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1229	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1230	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1231	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1232	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1233	C4H9F	1-fluorobutane	butaf1
1234	CH3CHFCH2CH3	2-fluorobutane	butaf2
1235	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1236	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1237	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1238	XeF4	Xenon tetrafluoride	xef4
1239	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1240	NH3BF3	Amminetrifluoroboron	nh3bf3
1241	C6H4	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1242	C6H4	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1243	C6H4	Benzyne	benzyne
1244	C6H5	phenyl	phenyl
1245	C6H5-	phenyl anion	phenyl-
1246	C6H6	1,2,4,5-Hexatetraene	ht1245
1247	C6H6	2,4-Hexadiyne	hexadiyne
1248	C6H6	3,4-Dimethylenecyclobutene	cb34m
1249	C6H6	Benzene	benzene
1250	C6H6	Benzvalene	bv
1251	C6H6	Hexa-1,5-diene-3-yne	hdy153
1252	C6H6	Trimethylenecycopropane	tmcp
1253	C6H6+	Benzene cation	c6h6+
1254	C6H7+	benzene, protonated	c6h7+
1255	C6H8	(E)-hexa-1,3,5-triene	c821078
1256	C6H8	(E)-hexa-2,3,4-triene	c59660650
1257	C6H8	(Z)-hexa-1,3,5-triene	hexatri135
1258	C6H8	(Z)-hexa-2,3,4-triene	hetr234c
1259	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1260	C6H8	1,4-Cyclohexadiene	cyhexadiene14
1261	C6H8	3-Methylenecyclopentene	c930267
1262	C6H8	Bicyclo[2.1.1]hex-2-ene	c822413
1263	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1264	C6H8	Bicyclo[3.1.0]hex-2-ene	c694019
1265	C6H10	1,3-Hexadiene, (E)-	hexdi13e
1266	C6H10	1,3-Hexadiene, (Z)-	hexdi13z
1267	C6H10	1,4-Hexadiene, (E)-	hexdi14t
1268	C6H10	1,4-Hexadiene, (Z)-	hexdi14z
1269	C6H10	1,5-Hexadiene	c592427
1270	C6H10	1-Butyne, 3,3-dimethyl-	c917920
1271	C6H10	1-Hexyne	hexyne1
1272	C6H10	2,4-Hexadiene, (E,E)-	hexdi24ee
1273	C6H10	2,4-Hexadiene, (E,Z)-	hexdi24ez
1274	C6H10	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1275	C6H10	2-Hexyne	c764352
1276	C6H10	3-Hexyne	hexyne3
1277	C6H10	cyclohexene	cyclohexene
1278	C6H10	Cyclopentene, 1-methyl-	c693890
1279	C6H10	Cyclopentene, 3-methyl-	c1120623
1280	C6H10	Cyclopentene, 4-methyl-	c1759815
1281	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1282	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1283	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1284	C6H12	(E)-2-Hexene	e2hexene
1285	C6H12	(E)-3-methylpent-2-ene	c616126
1286	C6H12	(E)-hex-3-ene	e3hexene
1287	C6H12	(Z)-3-methylpent-2-ene	c922623
1288	C6H12	(Z)-hex-2-ene	z2hexene
1289	C6H12	(Z)-hex-3-ene	z3hexene
1290	C6H12	2,3-dimethylbut-1-ene	c563780
1291	C6H12	2,3-dimethyl-but-2-ene	tmeet
1292	C6H12	3-methylenepentane	c760214
1293	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1294	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1295	C6H12	Cyclohexane	cyclohexane
1296	C6H12	Cyclopentane, methyl-	c96377
1297	C6H12	Ethylcyclobutane	c4806615
1298	C6H12	hex-1-ene	hexene1
1299	C6H14	Butane, 2,2-dimethyl-	buta22
1300	C6H14	Butane, 2,3-dimethyl-	buta23
1301	C6H14	Hexane	hexane
1302	C6H14	Pentane, 2-methyl-	penta2
1303	C6H14	Pentane, 3-methyl-	penta3
1304	C4N2	2-Butynedinitrile	c4n2
1305	C4H2N2	Fumaronitrile	c4h2n2
1306	C2H2N4	sym-tetrazine	ttz
1307	C3H3N3	1,3,5-Triazine	triazine135
1308	CH3N5	5-Aminotetrazole	c4418615
1309	C4H4N2	1,3-Diazine	diazine13
1310	C4H4N2	Pyrazine	pyrazine
1311	C4H4N2	Pyridazine	pyridazine
1312	C4H4N2	Succinonitrile	c110612
1313	C2H4N4	1H-Tetrazole, 1-methyl-	c16681779
1314	C2H4N4	1H-Tetrazole, 5-methyl-	c4076362
1315	C2H4N4	2H-Tetrazole, 2-methyl-	c16681780
1316	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1317	C5H5N	E-2,4-pentadienenitrile	bdcn
1318	C5H5N	Pyridine	pyridine
1319	B3N3H6	borazine	borazine
1320	C6H6	Fulvene	fulvene
1321	C5H6N+	Pyridinium	c5h6n
1322	C4H6N2	1H-Imidazole, 2-methyl-	c693981
1323	C5H7N	(E)-2-Pentenenitrile	c26294984
1324	C5H7N	(E)-3-Pentenenitrile	c16529661
1325	C5H7N	(Z)-2-Pentenenitrile	c25899507
1326	C5H7N	1H-Pyrrole, 1-methyl-	c96548
1327	C5H7N	Cyclobutanecarbonitrile	c4426113
1328	C5H9N	1,2,3,6-Tetrahydropyridine	c694053
1329	C5H9N	Butanenitrile, 2-methyl-	c18936179
1330	C5H9N	Pentanenitrile	c110598
1331	C5H9N	Propanenitrile, 2,2-dimethyl-	c630182
1332	C6H10	Bicyclo[3.1.0]hexane	c285585
1333	C5H11N	Cyclopentanamine	cypentam
1334	C5H11N	Piperidine	piper
1335	C4H12N2	1,2-Butanediamine	c4426486
1336	C4H12N2	2-Methyl-1,2-propanediamine	c811938
1337	Li2CO3	Lithium Carbonate	li2co3
1338	Na2CO3	Sodium Carbonate	na2co3
1339	C2O4--	oxalate anion	c2o4
1340	MgSO4	Magnesium Sulfate	mgso4
1341	C2H2O4	Oxalic Acid	oxalic
1342	C2H3NO3	Oxamic acid	oxamic
1343	C4H4O2	2(5H)-Furanone	furanone
1344	C4H4O2	2-Oxetanone, 4-methylene-	c674828
1345	C2H4N2O2	Oxalamide	oxalamide
1346	C2H4N2S2	Ethanedithioamide	c79403
1347	C2H4CO3	Ethylene carbonate	etco3
1348	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1349	C3H4S3	1,3-Dithiolane-2-thione	c822388
1350	C2H4O4	Formic acid dimer	fadimer
1351	C4H5NO	3-Methylisoxazole	isox3m
1352	C4H5NO	Isoxazole, 5-methyl-	c5765446
1353	C4H5NS	4-Methylthiazole	c693958
1354	C2H5NO3	Nitric acid, ethyl ester	c625581
1355	C5H6O	2H-Pyran	pyran2
1356	C5H6O	2-methylfuran	furan2m
1357	C5H6O	3-Methylfuran	furan3m
1358	C5H6O	Pentadienal	pdal
1359	C5H6S	Thiophene, 2-methyl-	c554143
1360	C5H6S	Thiophene, 3-methyl-	c616444
1361	C4H6O2	2,3-Butanedione	c431038
1362	C4H6O2	2-Propenoic acid, methyl ester	c96333
1363	C4H6O2	Crotonic Acid	crot
1364	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1365	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1366	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1367	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1368	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1369	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1370	C4H6OS	Vinyl sulfoxide	c1115157
1371	CH6N4S	Carbonothioic dihydrazide	thiacarb
1372	C2H6N2O2	(E)-Azodioxymethane	c37765154
1373	C2H6N2O2	Dimethylnitroamine	c4164287
1374	C3H6S3	1,3,5-Trithiane	c3h6s3
1375	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1376	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1377	C4H7NO	2-Pyrrolidinone	c616455
1378	C4H7NO	Ethoxyacetonitrile	etoaccn
1379	C4H7NO	Methacrylamide	c79390
1380	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1381	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1382	C3H7ONO	Propyl nitrite	prono
1383	CH3CH(CH3)ONO	Isopropyl nitrite	c541424
1384	CH3CH(NH2)COOH	Alanine	alanine
1385	CH3NHCH2COOH	Sarcosine	sarcosine
1386	NH2CH2CH2COOH	β–alanine	betaalanine
1387	NH2COOC2H5	Urethane	urethane
1388	C5H8O	2H-Pyran, 3,4-dihydro-	c110872
1389	C5H8O	Cyclopentanone	c120923
1390	C5H8O	Furan, 2,3-dihydro-5-methyl-	c1487156
1391	C5H8O	Methyl cyclopropyl ketone	c765435
1392	N(CH3)2CONH2	Urea, N,N-dimethyl-	c598947
1393	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1394	NH2CONHC2H5	Urea, ethyl-	c625525
1395	C4H8O2	1,3-Dioxane	dioxan13
1396	C4H8O2	1,3-Dioxolane, 2-methyl-	c497267
1397	C4H8O2	1,4-Dioxane	dioxan14
1398	C4H8O2	Ethene, 1,1-dimethoxy-	c922690
1399	C4H8O2	Ethyl acetate	c141786
1400	C4H8OS	s-Ethyl thioacetate	c625605
1401	C3H8O3	1,2,3-Propanetriol	glycerin
1402	C3H8O2S	(Methylsulfonyl)ethane	c594434
1403	C4H9NO	Butanamide	c541355
1404	C4H9NO	Propanamide, 2-methyl-	c563837
1405	C5H10O	2-Butanone, 3-methyl-	c563804
1406	C5H10O	2H-Pyran, tetrahydro-	c142687
1407	C5H10O	2-methylbutyraldehyde	2meba
1408	C5H10O	2-Pentanone	mpk
1409	C5H10O	Cyclopentanol	c96413
1410	C5H10O	Oxetane, 3,3-dimethyl-	c6921353
1411	C5H10O	Pentanal	pal
1412	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1413	C5H10S	3-Ethylthio-1-propene	c5296628
1414	C5H10S	Cyclopentanethiol	c1679078
1415	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1416	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1417	C4H10O2	1,1-Dimethoxyethane	c534156
1418	C4H10O2	1,3-Butanediol	budiol13
1419	C4H10O2	1,4-Butanediol	budiol14
1420	C4H10O2	Ethane, 1,2-dimethoxy-	c110714
1421	C4H10OS	Diethyl sulfoxide	c70291
1422	C4H10S2	1,4-Butanedithiol	budisl14
1423	C4H11NO	Diethylhydroxylamine	c3710847
1424	C5H12O	1-Butanol, 2-methyl-	c137326
1425	C5H12O	1-Butanol, 3-methyl-	c123513
1426	C5H12O	1-Pentanol	pentanol1
1427	C5H12O	2-Butanol, 3-methyl-	c598754
1428	C5H12O	2-Pentanol	peol2
1429	C5H12O	3-Pentanol	pentan3ol
1430	C5H12O	Butane, 1-methoxy-	meobu
1431	C5H12O	Propane, 1-ethoxy-	proet
1432	C5H12O	Propane, 2-methoxy-2-methyl-	c1634044
1433	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1434	C5H12S	1-Butanethiol, 3-methyl-	c541311
1435	C5H12S	1-Pentanethiol	c110667
1436	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1437	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1438	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1439	C5H12S	Butane, 1-(methylthio)-	c628295
1440	C5H12S	Ethyl propyl sulfide	c4110503
1441	C5H12S	Propane, 2-(ethylthio)-	c5145993
1442	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1443	ClCOClCO	Oxalyl chloride	oxcl
1444	CF3CN	Acetonitrile, trifluoro-	cf3cn
1445	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1446	B2F4	Diboron tetrafluoride	b2f4
1447	B2Cl4	Diboron tetrachloride	b2cl4
1448	C2F4	Tetrafluoroethylene	c2f4
1449	C2F4+	Tetrafluoroethylene cation	c2f4+
1450	CF2CCl2	difluorodichloroethylene	cf2ccl2
1451	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1452	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1453	C2FCl3	fluorotrichloroethene	c2fcl3
1454	C2Cl4	Tetrachloroethylene	c2cl4
1455	CF3OF	Trifluoromethylhypofluorite	cf3of
1456	SOF4	Sulfur tetrafluoride oxide	sof4
1457	AsF5	Arsenic pentafluoride	asf5
1458	PCl5	Phosphorus pentachloride	pcl5
1459	SF5	Sulfur pentafluoride	sf5
1460	SF5+	pentafluoro sulfur cation	sf5+
1461	SbCl5	Antimony pentachloride	sbcl5
1462	BrF5	bromine pentafluoride	brf5
1463	ClF5	chlorinepentafluoride	clf5
1464	IF5	pentafluoroiodine	if5
1465	CF3CHO	trifluoroacetaldehyde	cf3cho
1466	CCl3CHO	trichloroacetaldehyde	ccl3cho
1467	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1468	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1469	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1470	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1471	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1472	CH2BrCBr3	1,1,1,2-tetrabromo ethane	c2h2br4
1473	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1474	CF3COOH	trifluoroacetic acid	cf3cooh
1475	C4H3ClO	Furan, 2-chloro	fur2cl
1476	C4H3ClO	Furan,3-chloro	fur3cl
1477	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1478	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1479	C4H8Cl2	1,4-Dichlorobutane	c110565
1480	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1481	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1482	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1483	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1484	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1485	C5H11Cl	Pentane, 1-chloro-	pencl1
1486	C4H8O2	Butanoic acid	bua
1487	C6H5CH2	benzyl radical	benzyl
1488	C7H7	cycloheptatrienyl radical	c7h7
1489	C7H7+	cycloheptatrienyl cation	c7h7+
1490	C6H5CH3	toluene	toluene
1491	C7H8	cycloheptatriene	cht
1492	C7H8	Norbornadiene	norbor
1493	C7H8	Quadricyclane	qucy
1494	C7H12	Norbornane	nor
1495	C7H14	cycloheptane	c7h14
1496	C7H16	2-methylhexane	2mhex
1497	C7H16	3-methylhexane	hex3m
1498	C7H16	heptane	heptane
1499	C6H7N	2-Methylpyridine	mp
1500	C6H5NH2	aniline	aniline
1501	C6H13N	2-Methylpiperidine	pip2m
1502	C6H13N	cyclohexanamine	cham
1503	C6H15N	triethylamine	tea
1504	N2O5	Dinitrogen pentoxide	n2o5
1505	C4H2O3	Maleic Anhydride	malan
1506	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1507	C5H4O2	furfural	furfural
1508	C6H5O	phenoxy radical	phenoxy
1509	C5H5NO	2(1H)-Pyridinone	c72762006
1510	C5H5NO	2(3H)-Pyridinone	c9000048
1511	C5H5NO	2(5H)-Pyridinone	c9000037
1512	C5H5NO	2-Pyridinol	c109104
1513	C5H5NO	3(2H)-Pyridinone	c9000004
1514	C5H5NO	3(4H)-Pyridinone	c9000026
1515	C5H5NO	3(6H)-Pyridinone	c9000015
1516	C5H5NO	3-Pyridinol	c109002
1517	C5H5NO	4(1H)-Pryidinone	c9000060
1518	C5H5NO	4(3H)-Pryidinone	c9000059
1519	C5H5NO	4-Pyridinol	c626642
1520	C6H5OH	phenol	phenol
1521	C6H6O	2,4-Cyclohexadienone	c24599573
1522	C6H6O	2,5-Cyclohexadienone	c5664335
1523	C6H5SH	Benzenethiol	phsh
1524	HO2CCHNH2CH2OH	Serine	serine
1525	C5H8O2	Acetylacetone	acac
1526	C4H8O2S	Sulfolane	sulfolane
1527	C7H10	Norbornene	norbornene
1528	CH(C2H3)3	trivinyl methane	tvm
1529	C6H10O	cyclohexanone	chexo
1530	C6H12O	hexanal	c6h12o
1531	C3H7OC3H7	di-n-propyl ether	propr
1532	CF3COO-	trifluoro acetate anion	cf3coo-
1533	CF3COF	trifluoroacetyl fluoride	cf3cof
1534	CF3COCl	trifluoroacetyl chloride	cf3cocl
1535	PF6	Hexafluorophosphate neutral	pf6
1536	PF6-	Hexafluorophosphate ion	pf6-
1537	SeF6	Selenium hexafluoride	sef6
1538	SF5Cl	sulfur chloropentafluoride	sf5cl
1539	CF3CHF2	pentafluoroethane	cf3chf2
1540	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1541	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1542	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1543	CCl3CHCl2	pentachloroethane	ccl3chcl2
1544	C6H5F	Fluorobenzene	bzf
1545	C6H5Cl	chlorobenzene	bzcl
1546	C6H5Br	bromobenzene	bzbr
1547	C8H6	Calicene	calicene
1548	C6H5CCH	phenylacetylene	phac
1549	C8H6	benzocyclobutadiene	bcbd
1550	C8H6	Pentalene	pentalene
1551	C6H5CHCH2	Styrene	styrene
1552	C8H8	cubane	cubane
1553	C8H8	cyclooctatetraene	cot
1554	C6H5CH2CH3	Ethylbenzene	etbz
1555	CH3C6H4CH3	meta-xylene	mxylene
1556	CH3C6H4CH3	paraxylene	pxylene
1557	C8H14	Bicyclo[2.2.2]octane	bico222
1558	C8H16	cyclooctane	cyclooct
1559	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1560	C8H18	Octane	c8h18
1561	C6H5CN	phenyl cyanide	phcn
1562	C6H12N2	Triethylenediamine	ted
1563	C4O4--	squarate dianion	c4o4--
1564	S4N4	Tetrasulfur tetranitride	s4n4
1565	S8	Octasulfur	s8
1566	C6H4O2	parabenzoquinone	pbq
1567	C4H4N2O2	Uracil	uracil
1568	C6H5OCH3	Anisole	anisole
1569	C5H9NO2	Proline	proline
1570	C6H12O2	Methyl pivalate	c598981
1571	C6H12O2	Hexanoic acid	hexa
1572	C4F4	tetrafluorcyclobutadiene	c4f4
1573	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1574	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1575	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1576	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1577	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1578	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1579	C2F6	hexafluoroethane	c2f6
1580	IF7	Iodine heptafluoride	if7
1581	C6H4F2	metadifluorobenzene	mdfb
1582	C6H4F2	orthodifluorobenzene	odfb
1583	C6H4F2	1,4-difluorobenzene	pdfb
1584	C6H4Cl2	1,2-dichlorobenzene	dcb12
1585	C6H4Cl2	1,3-dichlorobenzene	dcb13
1586	C6H4Cl2	1,4-dichlorobenzene	dcb14
1587	C6H5NO	nitrosobenzene	bzno
1588	C9H8	Indene	indene
1589	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1590	C9H12	n-propyl benzene	prbz
1591	C9H20	Nonane	nonane
1592	C(CN)4	tetracyanomethane	c5n4
1593	C5H4N4	purine	purine
1594	C8H7N	Indole	indole
1595	C3H3N3O3	cyanuric acid	cyanuric
1596	C6H5NO2	Nitrobenzene	c6h5no2
1597	C6H5COOH	benzoic acid	benzo
1598	CH3COC6H5	acetophenone	acph
1599	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1600	C6H3F3	Benzene trifluoride 123	bzf3a
1601	C10H8	Azulene	azu
1602	C10H8	naphthalene	naph
1603	C10H16	adamantane	adamantane
1604	C6N4	Tetracyanoethylene	tcne
1605	C6N4-	tetracyanoethylene anion	tcne-
1606	C10H22	Decane	decane
1607	C4F6	perfluorobutadiene	c4f6
1608	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1609	C3F8	perfluoropropane	c3f8
1610	Fe(CO)5	Iron pentacarbonyl	ipc
1611	Fe(C5H5)2	ferrocene	fecp2
1612	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1613	C12H8	Acenaphthylene	acenaph
1614	C12H8	biphenylene	biph
1615	C12H10	biphenyl	biphenyl
1616	C12H10	Heptalene	heptalene
1617	C6H12O6	Inositol	inositol
1618	C6F6	hexafluorobenzene	c6f6
1619	S2F10	disulphur decafluoride	s2f10
1620	C13H10	Fluorene	fluorene
1621	C14H10	Anthracene	anth
1622	C14H10	Phenanthrene	phenanthrene
1623	C14H14	Bibenzyl	bibenzyl
1624	C12H10N2	azobenzene	azobenzene
1625	C6H5COC6H5	benzophenone	benzophenone
1626	C16H10	Pyrene	pyrene
1627	C18H12	Tetracene	tetracene
1628	C19H16	Triphenylmethane	tpm
1629	C24H12	Coronene	coronene
1630	C60	Buckminsterfullerene	c60