National Institute of Standards and Technology

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

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III	Calculated data
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XII	Geometries
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XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities

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

List of which calculations are completed at mPW1PW91 /6-311+G(3df,2p)

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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	HeH+	Helium hydride cation	1Σ	C∞v
7	He2+	helium diatomic cation	2Σu	D∞h
8	Li	Lithium atom	2S	Kh
9	Li+	Lithium atom cation	1S	Kh
10	Na	Sodium atom	2S	Kh
11	Na+	Sodium atom cation	1S	Kh
12	K	Potassium atom	2S	Kh
13	Cu	Copper atom	2S	Kh
14	LiH	Lithium Hydride	1Σ	C∞v
15	KH	Potassium hydride	1Σ	C∞v
16	Be	Beryllium atom	1S	Kh
17	Be+	Beryllium atom cation	2S	Kh
18	Mg	Magnesium atom	1S	Kh
19	Mg+	Magnesium atom cation	2S	Kh
20	Zn	Zinc atom	1S	Kh
21	MgH	magnesium monohydride	2Σ	C∞v
22	ZnH+	Zinc, protonated
23	BeH2+	Beryllium dihydride cation
24	CaH2	Calcium Hydride	1Σg	D∞h
25	CaH2	Calcium Hydride	1A1	C2v
26	B	Boron atom	2P	Kh
27	B	Boron atom	4P	Kh
28	B+	Boron atom cation	1S	Kh
29	Al	Aluminum atom	2P	Kh
30	Al-	Aluminum atom anion	3P	Kh
31	Al+	Aluminum atom cation	1S	Kh
32	Ga	Gallium atom	2P
33	Ga-	Gallium atom anion	3P	Oh
34	Ga+	Gallium atom cation	1S
35	GaH	Gallium monohydride	1Σ	C∞v
36	GaH+	Gallium monohydride cation	2Σ	C∞v
37	BH3+	boron trihydride cation	2B2	C2v
38	BH3+	boron trihydride cation		C2v
39	AlH3-	aluminum trihydride anion		C3v
40	BH4-	borohydride anion	1A1	Td
41	C	Carbon atom	3P0	Kh
42	C	Carbon atom	3P1	Kh
43	C+	Carbon atom cation	2P	Kh
44	Si	Silicon atom	3P	Kh
45	Si	Silicon atom	1S	Kh
46	Si-	Silicon atom anion	4S	Kh
47	Si+	Silicon atom cation	2P	Kh
48	Ge	Germanium atom	3P	Kh
49	Ge-	Germanium anion	4S	Kh
50	Ge+	Germanium cation	2P	Kh
51	CH	Methylidyne	2Π1/2	C∞v
52	SiH	Silylidyne	2Π	C∞v
53	GeH	germylidene	2Π	C∞v
54	CH2-	methylene anion	2B1	C2v
55	GeH2	germylene	1A1	C2v
56	CH3	Methyl radical	2A1	D3h
57	SiH3	Silyl radical	2A1	C3v
58	SiH3+	Silyl cation	1A1'	D3h
59	GeH3	Germyl radical	2A1	C3v
60	GeH3+	germyl cation	1A1'	D3h
61	CH4	Methane	1A1	Td
62	SiH2D2	silane-d2
63	SiH4	Silane	1A1	Td
64	GeH4	Germane	1A1	Td
65	SiH5+	Silane, protonated
66	N	Nitrogen atom	4S	Kh
67	N	Nitrogen atom	2D	Kh
68	N+	Nitrogen atom cation	3P	Kh
69	P	Phosphorus atom	4S	Kh
70	V+	Vanadium atom cation	5D	Kh
71	As	Arsenic atomic	4S	Kh
72	As-	Arsenic anion	3P	Kh
73	As+	Arsenic cation	3P	Kh
74	PH	phosphorus monohydride	3Σ-	C∞v
75	AsH	Arsenic monohydride	3Σ	C∞v
76	NH2	Amino radical	2B1	C2v
77	NH2+	Amino cation	3B1	C2v
78	NH2+	Amino cation	1A1	C2v
79	NH3	Ammonia	1A1	C3v
80	PH3	Phosphine	1A1	C3v
81	PH3+	Phosphine cation	2A1	C3v
82	AsH3	Arsine	1A1	C3v
83	AsH3+	Arsine cation	2A1	C3v
84	AsH4+	Arsonium
85	NH4	Ammonium radical
86	PH4	Phosphoranyl radical
87	O	Oxygen atom	3S	Kh
88	O+	Oxygen atom cation	4S	Kh
89	S	Sulfur atom	3P	Kh
90	S	Sulfur atom
91	Se	Selenium atom	3P	Kh
92	Se-	Selenium atom anion	2P	Kh
93	Se+	Selenium atom cation	4S	Kh
94	OH	Hydroxyl radical	2Π	C∞v
95	OH+	hydoxyl cation	3Σ	C∞v
96	HS-	mercapto anion	1Σ	C∞v
97	HS+	sulfur monohydride cation	3Σ	C∞v
98	CrH	Chromium hydride	6Σ	C∞v
99	CrH+	Chromium hydride cation	5Σ	C∞v
100	HSe	Selenium monohydride	2Π	C∞v
101	HSe-	selenium monohydride anion	1Σ	C∞v
102	HSe+	selenium monohydride cation	3Σ	C∞v
103	H2O	Water	1A1	C2v
104	H2O-	water anion	2A1	C2v
105	H2O-	water anion	2A'	Cs
106	H2O+	water cation	2B1	C2v
107	HDO	Water-d1	1A1	C2v
108	H2S	Hydrogen sulfide	1A1	C2v
109	H2S+	Hydrogen sulfide cation	2B1	C2v
110	H2Se	Hydrogen selenide	1A1	C2v
111	H2Se+	Hydrogen selenide cation	2B1	C2v
112	H3S+	Sulfonium cation	1A1	C3v
113	H3Se+	Hydrogen Selenide, protonated	1A1	C3v
114	F	Fluorine atom	2P	Kh
115	F+	Fluorine atom cation	3S	Kh
116	Cl	Chlorine atom	2P	Kh
117	Cl+	Chlorine atom cation	3P	Kh
118	Br	Bromine atom	2P	Kh
119	Br-	Bromine atom anion	1S	Kh
120	Br+	Bromine atom cation	3P	Kh
121	HF	Hydrogen fluoride	1Σ	C∞v
122	HF-	hydrogen fluoride anion	2Σ	C∞v
123	HF+	hydrogen fluoride cation	2Π	C∞v
124	HCl	Hydrogen chloride	1Σ	C∞v
125	HCl-	hydrogen chloride anion	2Σ	C∞v
126	HCl+	hydrogen chloride cation	2Π	C∞v
127	HBr	hydrogen bromide	1Σ	C∞v
128	HBr-	hydrogen bromide anion	2Σ	C∞v
129	HBr+	hydrogen bromide cation	2Π	C∞v
130	H2Cl+	dihydrogen monochloride cation	1A1	C2v
131	H2Br+	protonated hydrogen bromide	2A1	C2v
132	Ne	Neon atom	1S	Kh
133	Ne	Neon atom
134	Ne+	Neon atom cation	2P	Kh
135	Ar	Argon atom	1S	Kh
136	Kr	Krypton atom	1S	Kh
137	Kr+	Krypton cation	2P	Kh
138	HeLi+	Helium Lithium cation
139	ArH+	Argon hydride cation	1Σ	C∞v
140	KrH+	Protonated Krypton	1Σ	C∞v
141	NaLi	lithium sodium	1Σ	C∞v
142	Na2	Sodium diatomic	1Σg	D∞h
143	Na2-	sodium diatomic anion	2Σu	D∞h
144	LiAl	Lithium Aluminum
145	HBBH	Diborane(2)	3ΣG	D∞h
146	B2H4	Diborane(4) D2d	1A1	D2d
147	B2H6	Diborane	1Ag	D2h
148	B2H6+	Diborane cation
149	CaC	Calcium monocarbide
150	BSi	Boron silicide	4Σ	C∞v
151	BSi	Boron silicide	2Σ	C∞v
152	Si2	Silicon diatomic	3Σg	D∞h
153	GeC	Germanium monocarbide	1Σ	C∞v
154	SiGe	Silicon Germanium
155	C2H-	Ethynyl anion	1Σ	C∞v
156	C2H2	Acetylene	1Σg	D∞h
157	C2H2+	acetylene cation	2Πu	D∞h
158	C2H2+	acetylene cation
159	H2CC-	vinylidene anion
160	HCCH-	acetylene anion
161	HCCH-	acetylene anion
162	Si2H2	disilyne
163	Si2H2	disilyne
164	Si2H2	disilyne
165	Si2H2	disilyne
166	CH3Li	methyl lithium	1A1	C3v
167	C2H3	vinyl	2A'	Cs
168	C2H3+	vinyl cation	1A1	C2V bridging H
169	C2H3+	vinyl cation	1A1	C2V HCCH2
170	C2H4	Ethylene	1Ag	D2h
171	C2H4+	Ethylene cation	2B3	D2
172	Si2H4	Disilene
173	Si2H4	Disilene
174	Si2H4	Disilene
175	C2H5	Ethyl radical	2A'	Cs
176	C2H6	Ethane	1A1g	D3d
177	Si2H6	disilane	1Eu	D3d
178	LiN	Lithium Nitride	3Σ	C∞v
179	LiP	Lithium monophosphide
180	LiP	Lithium monophosphide
181	MgN	Magnesium Nitride
182	MgN	Magnesium Nitride
183	GaAs	Gallium arsenide	3Π
184	GaAs	Gallium arsenide	1Σ
185	CN	Cyano radical	2Σ	C∞v
186	SiP	Silicon monophosphide	2Π	C∞v
187	N2	Nitrogen diatomic	1Σg	D∞h
188	N2	Nitrogen diatomic
189	PN	Phosphorus mononitride	1Σ	C∞v
190	HCN	Hydrogen cyanide	1Σ	C∞v
191	HCN+	hydrogen cyanide cation	2Π	C∞v
192	HNC+	hydrogen isocyanide cation
193	HCP+	Phosphaethyne cation
194	NNH+	Dinitrogen monohydride cation	1Σ	C∞v
195	LiNH2	lithium amide
196	HBNH	Boranimine	1Σ	C∞v
197	H2NN	Isodiazene
198	N2H2+	trans-diazene cation	2AG	C2h
199	CH2NH	Methanimine	1A'	Cs
200	CH2NH+	Methanimine cation
201	CHNH2	aminomethylene
202	CHNH2+	Aminocarbene cation
203	BH2NH2	Boranamine
204	N2H4	Hydrazine	1A	C2
205	CH3NH2	methyl amine	1A'	Cs
206	SiH3NH2	Silane, amino
207	BH3PH3	borane phosphine
208	BH3NH3	borane ammonia	1A1	C3v
209	CH3NH3	methyl ammonium radical	2A1	C3v
210	N2H7+	ammonia ammonium dimer
211	LiSe	Lithium monoselenide
212	CaO	Calcium monoxide	1Σ	C∞v
213	CaS	Calcium sulfide	1Σ	C∞v
214	BO	boron monoxide	2Σ	C∞v
215	GaO	Gallium monoxide	2Σ	C∞v
216	GaS	Gallium monosulfide
217	CO	Carbon monoxide	1Σ	C∞v
218	CO-	carbon monoxide anion	2Π	C∞v
219	CO+	carbon monoxide cation	2Σ	C∞v
220	SiO	Silicon monoxide	1Σ	C∞v
221	SiS	silicon monosulfide	1Σ	C∞v
222	CSe	Carbon monoselenide	1Σ	C∞v
223	GeO	Germanium monoxide	1Σ	C∞v
224	SiSe	Silicon Monoselenide
225	SiSe+	Silicon Monoselenide cation
226	GeSe	Germanium monoselenide
227	NO	Nitric oxide	2Π	C∞v
228	NO-	nitric oxide anion	3Σ	C∞v
229	NO+	nitric oxide cation	1Σ	C∞v
230	PO	Phosphorus monoxide	2Π	C∞v
231	PS	phosphorus sulfide	2Σ	C∞v
232	NSe	Nitrogen monoselenide	2Π	C∞v
233	AsS	Arsenic monosulfide	2Π	C∞v
234	PSe	Phosphorus monoselenide	2Π	C∞v
235	AsSe	Arsenic monoselenide	2Π	C∞v
236	O2	Oxygen diatomic	3Σg	D∞h
237	O2--	dioxygen dianion
238	SO	Sulfur monoxide	3Σ	C∞v
239	SO	Sulfur monoxide	1Σ	C∞v
240	SO+	sulfur monoxide cation	2Π	C∞v
241	S2	Sulfur diatomic	3Σg	D∞h
242	SeO	Selenium monoxide	3Σ	C∞v
243	Se2	Selenium diatomic	3Σg	D∞h
244	LiOH	lithium hydroxide	1Σ	C∞v
245	KOH	Potassium hydroxide	1Σ	C∞v
246	BeOH	beryllium monohydroxide	2A'	Cs
247	HBO	Boron hydride oxide	1Σ	C∞v
248	HBS	hydrogen boron sulfide	1Σ	C∞v
249	COH	Hydroxymethylidyne
250	HCO	Formyl radical	2A'	Cs
251	HCO-	formyl anion	1A'	Cs
252	HCO+	Formyl cation	1Σ	C∞v
253	HNO	Nitrosyl hydride	1A'	Cs
254	HNO+	Nitrosyl hydride cation	2A'	Cs
255	HSO+	Sulfur Monoxide, S-protonated
256	SOH	Sulfur Hydroxide
257	SOH+	Sulfur Monoxide, protonated
258	H2CO	Formaldehyde	1A1	C2v
259	H2CO-	formaldehyde anion	2A'	Cs
260	H2CO-	formaldehyde anion
261	H2CO+	formaldehyde cation	2B2	C2v
262	H2CS	Thioformaldehyde	1A1	C2v
263	H2CS-	thioformaldehyde anion
264	H2CS-	thioformaldehyde anion
265	H2CSe	Selenoformaldehyde
266	H2O2	Hydrogen peroxide	1A	C2
267	H2O2	Hydrogen peroxide	1Ag	C2h
268	H2OO	water oxide
269	HOSH	hydrogen thioperoxide
270	H2Se2	hydrogen diselenide
271	CH2OH+	hydroxymethyl cation	1A'	Cs
272	CH3O-	methoxy anion	1A1	C3v
273	NH2OH	hydroxylamine	1A'	Cs
274	NH2OH+	Hydroxylamine cation
275	NH2SH	Thiohydroxylamine
276	NH2SH	Thiohydroxylamine
277	NH3S	sulfidoazane
278	CH3OH	Methyl alcohol	1A'	Cs
279	CH3OH+	Methyl alcohol cation	2A"	Cs
280	CH3SH	Methanethiol	1A'	Cs
281	SiH3OH	silanol
282	NH2OH2+	protonated hydroxylamine
283	NH3OH+	N-protonated hydroxylamine
284	H5O2+	Dihydroxonium ion	1A	C2
285	LiF	lithium fluoride	1Σ	C∞v
286	LiCl	lithium chloride	1Σ	C∞v
287	NaF+	sodium fluoride cation	2Σ	C∞v
288	LiBr	Lithium Bromide	1Σ	C∞v
289	LiF+	lithium fluoride cation	2Π	C∞v
290	CaBr	Calcium monobromide
291	BF	Boron monofluoride	1Σ	C∞v
292	AlF	Aluminum monofluoride	1Σ+	C∞v
293	GaF	Gallium monofluoride	1Σ	C∞v
294	AlBr	Aluminum monobromide
295	GaCl	Gallium monochloride	1ΣG	C∞v
296	GaBr	Gallium monobromide
297	CF	Fluoromethylidyne	2Π	C∞v
298	SiCl	Clorosilylidyne	2Π	C∞v
299	CBr	Carbon monobromide	2Π	C∞v
300	GeF	Germanium monofluoride	2Π	C∞v
301	GeCl	Germanium monochloride	2Π	C∞v
302	GeCl+	Germanium monochloride cation
303	SiBr	Silicon monobromide	2Π	C∞v
304	SiBr+	Silicon monobromide cation
305	NCl	nitrogen monochloride	3Σ	C∞v
306	PBr	Phosphorus monobromide
307	ClO	Monochlorine monoxide	2Π	C∞v
308	ClO+	chlorine monoxide cation	3Σ	C∞v
309	SF	Monosulfur monofluoride	2Π	C∞v
310	SF+	sulfur monofluoride cation	3Σ	C∞v
311	SCl+	sulfur monochloride cation	3Σg	C∞v
312	BrO	Bromine monoxide	2Π	C∞v
313	BrO+	Bromine monoxide cation
314	SBr	Sulfur monobromide radical
315	SBr+	Sulfur monobromide cation
316	SeBr	Selenium monobromide
317	BrCl	Bromine monochloride	1Σ	C∞v
318	F2	Fluorine diatomic	1Σg	D∞h
319	F2+	flourine diatomic cation	2Πg	D∞h
320	ClF	Chlorine monofluoride	1Σ+	C∞v
321	ClF+	clorine monofluoride cation	2Π	C∞v
322	Cl2	Chlorine diatomic	1Σg	D∞h
323	Cl2+	chlorine diatomic cation	2Πg	D∞h
324	BrF	Bromine monofluoride	1Σ	C∞v
325	Br2	Bromine diatomic	1Σg	D∞h
326	Br2-	bromine diatomic anion	2Σu	D∞h
327	Br2+	bromine diatomic cation	2Πg	D∞h
328	HCF	Fluoromethylene	1A'	Cs
329	HCF	Fluoromethylene	3A"	Cs
330	HSiF	fluorosilylene
331	HSiCl	Chlorosilylene
332	HSiBr	monobromosilylene
333	HOF	Hypofluorous acid	1A'	Cs
334	HOCl	hypochlorous acid	1A'	Cs
335	HOCl+	hypochlorous acid cation
336	F2H+	Fluorine, protonated	1A'	Cs
337	ClFH+	Chlorine fluoride, F-protonated
338	FClH+	Chlorine fluoride, Cl-protonated
339	Cl2H+	Chlorine, protonated	1A'	Cs
340	CH2Br	bromomethyl radical
341	CH2F	fluoromethyl radical	2A	Cs
342	CH2F+	fluoromethyl cation
343	CH2Cl+	chloromethyl cation
344	CH2Cl	chloromethyl radical	2A'	Cs
345	CH2Cl	chloromethyl radical	2B1	C2v
346	NH2Cl	chloramine	1A'	Cs
347	CH3F+	methyl fluoride cation
348	CH3F	Methyl fluoride	1A1	C3v
349	CH3Cl	Methyl chloride	1A1	C3v
350	CH3Cl+	Methyl chloride cation
351	SiH3F	monofluorosilane	1A1	C3v
352	SiH3Cl	chlorosilane	1A1	C1
353	CH3Br	methyl bromide	1A1	C3v
354	GeH3F	monofluorogermane
355	GeH3Cl	monochlorogermane
356	NH3Cl+	protonated monochloroammonia
357	CH3ClH+	methyl chloride, protonated
358	NH4Cl	Ammonium chloride
359	LiNe+	Lithium Neon cation
360	Ar2	Argon diatomic	1Sg	D∞h
361	C3	carbon trimer	1Σg	D∞h
362	C3	carbon trimer	1A1	C2v
363	SiC2	Silicon dicarbide
364	C3H4	cyclopropene	1A1	C2v
365	CH2CCH2	allene	1A1	D2d
366	CH3CCH	propyne	1A'	C3v
367	C3H5	Allyl radical	2A2	C2v
368	C3H6	Cyclopropane	1A1'	D3h
369	CH2CHCH3	Propene	1A'	Cs
370	C3H7	n-Propyl radical	2A"	C1
371	CH3CHCH3	Isopropyl radical	2A	C2
372	CH3CHCH3+	Isopropyl cation	1A	C2
373	C3H8	Propane	1A1	C2v
374	Si3H8	trisilane
375	LiCN	lithium cyanide	1Σ	C*V LiCN
376	KCN	Potassium cyanide	1Σ	C∞v
377	KCN	Potassium cyanide	1Σ	C∞v
378	KCN	Potassium cyanide	1A'	Cs
379	ZnCN	Zinc monocyanide	2Σ	C∞v
380	ZnNC	Zinc isocyanide	2Σ	C∞v
381	AlCN	Aluminum monocyanide
382	AlNC	Aluminum isocyanide
383	CNN	Diazocarbene
384	N3	azide radical	2Πg	D∞h
385	HN3	hydrogen azide	1A'	Cs
386	HN3+	Hydrazoic acid cation
387	HNCNH	diiminomethane	1A	C2
388	HNNNH+	1,2-Triazadienium
389	NH2NN+	hydrazoic acid, protonated
390	CH3CN	Acetonitrile	1A1	C3v
391	CH3CN-	acetonitrile anion	2E	C3v
392	CH3CN-	acetonitrile anion	2A'	Cs
393	CHNCH2	2H-Azirine
394	CHNHCH	1H-Azirine
395	H2CCNH	Ethenimine
396	H2CNCH	methyleneaminomethylene
397	HCCNH2	Ethynamine
398	HCNCH2+	2H-Azirine cation
399	NH2CNH+	cyanamide, cn protonated
400	NH3CN+	cyanamide, amine protonated
401	C2H6N+	aziridine, protonated	1A1	C2v
402	CH3CH2NH2	Ethylamine
403	Li2O	dilithium oxide	1Σg	D∞h
404	Na2O	disodium monoxide	1Σg	Linear
405	Na2O	disodium monoxide	1A1	C2v
406	Na2S	Sodium sulfide
407	Na2S	Sodium sulfide
408	LiO2	Lithium dioxide
409	NaO2	Sodium superoxide
410	NCO	isocyanato radical	2Π	C∞v
411	N2O	Nitrous oxide	1Σ	C∞v
412	CO2	Carbon dioxide	1Σg	D∞h
413	OCS	Carbonyl sulfide	1Σ	C∞v
414	CS2	Carbon disulfide	1Σg	D∞h
415	GeO2	Germanium dioxide	1Σg	D∞h
416	OCSe	Carbonyl selenide	1Σ	C∞v
417	SCSe	Carbon sulfide selenide
418	NO2	Nitrogen dioxide	2A1	C2v
419	NSO	sulfinyl amidogen
420	SNO	Nitrogen oxide sulfide
421	SO2	Sulfur dioxide	1A1	C2v
422	SSO	Disulfur monoxide	1A'	Cs
423	S3	Sulfur trimer	1A1	C2v
424	S3	Sulfur trimer
425	SeO2	Selenium dioxide	1A1	C2v
426	HCCO	ketenyl radical	2Π	C∞v
427	HCCO	ketenyl radical	2A"	Cs
428	HCNO	fulminic acid	1Σ	C∞v
429	HNCS	Isothiocyanic acid
430	HSCN	thiocyanic acid	1A'	Cs
431	HOCO	Hydrocarboxyl radical	1A'	cis
432	HOCO	Hydrocarboxyl radical	1A'	trans
433	O3H+	protonated ozone	1A'	Cs
434	O3H+	protonated ozone
435	C2H2O	Oxirene	1A1	C2v
436	CH2CO	Ketene	1A1	C2v
437	CH2CS	Thioketene
438	Be(OH)2	Beryllium hydroxide
439	Be(OH)2	Beryllium hydroxide
440	H2COO	Dioxymethyl radical	2A'	Cs
441	H2COO+	dioxymethyl cation	2A'	Cs
442	HCOOH	Formic acid	1A'	Cs
443	HCOOH	Formic acid
444	BH3CO	Borane carbonyl	1A1	C3v
445	CH2COH+	ketene, protonated
446	HOCHNH	hydroxymethylimine	1A'	CS H all up
447	CHSNH2	thioformamide
448	NHCHSH	Methanimidothioic acid
449	C2H4O	Ethylene oxide	1A1	C2v
450	C2H4O+	ethylene oxide cation
451	CH3CHO	Acetaldehyde	1A'	Cs
452	CH3CHO+	acetaldehyde cation
453	H2COCH2+	Methyl, (methyleneoxoniumyl)-
454	C2H4S	Thiirane	1A1	C2v
455	CH2CHSH	Ethenethiol
456	CH3CHS	Thioacetaldehyde	1A'	C1
457	NH2CHOH+	Formamide, O-protonated
458	CH3SSH	Hydrogen methyl disulfide
459	HSCH2SH	Methanedithiol
460	C2H4OH+	ethylene oxide, protonated	1A'	Cs
461	NH2CH2OH	aminomethanol
462	CH3CH2OH	Ethanol	1A'	Cs
463	CH3OCH3	Dimethyl ether	1A1	C2v
464	CH3CH2SH	ethanethiol	1A'	Cs
465	CH3CH2SH	ethanethiol	1A	C1
466	CH3SCH3	Dimethyl sulfide	1A1	C2v
467	CH3SCH3+	dimethyl sulfide cation
468	CNF	iso cyanogen fluoride	1Σ	C∞v
469	BrCN	Cyanogen bromide	1Σ	C∞v
470	FBO	Boron monofluoride monoxide
471	BeBr2	Beryllium bromide
472	CaBr2	Calcium dibromide
473	BF2	Boron difluoride radical	2A1	C2v
474	FNO	Nitrosyl fluoride	1A'	Cs
475	ClNO	Nitrosyl chloride	1A'	Cs
476	FSN	Thiazyl fluoride	1A'	Cs
477	OPCl	Phosphorus oxychloride
478	CF2	Difluoromethylene	1A1	D∞h
479	CFCl	chlorofluoromethylene	1A'	Cs
480	SiF2	Silicon difluoride	1A1	C2v
481	GeCl2	Germanium dichloride	1A1	C2v
482	CBr2	dibromomethylene	1A1	C2v
483	CBr2	dibromomethylene	3B1	C2v
484	FOO+	Fluorine dioxide cation
485	OClO	Chlorine dioxide	2B1	D∞h
486	OClO-	Chlorine dioxide anion	1A'	Cs
487	BrOO	Bromine dioxide
488	PF2	Phosphorus difluoride
489	PF2+	Phosphorus difluoride cation
490	FClO	chlorosyl fluoride	1A'	Cs
491	ClOF	Chlorine hypofluorite	1A'	Cs
492	SF2	sulfur difluoride	1A1	C2v
493	SeF2	Selenium difluoride
494	SeCl2	Selenium Dichloride
495	SBr2	Sulfur dibromide
496	SeBr2	Selenium dibromide
497	Br3-	tribromide anion
498	SFCl	Sulfur chloride fluoride
499	HCCF	Fluoroacetylene	1Σ	C∞v
500	HCCBr	bromoacetylene	1Σ	C∞v
501	CHF2	difluoromethyl radical	2A	Cs
502	CHF2+	difluoromethyl cation
503	CHFCl	Chlorofluoromethyl radical
504	CHFCl+	Chlorofluoromethyl cation
505	CHCl2+	dichloromethyl cation
506	CHBr2	dibromomethyl radical
507	NHF2	difluoramine
508	NHCl2	dichloroamine
509	CH2F2	Methane, difluoro-	1A1	C2v
510	SiH2F2	difluorosilane
511	CH2Cl2	Methylene chloride	1A1	C2v
512	CH2BrCl	Methane, bromochloro-	1A'	Cs
513	CH2Br2	dibromomethane	1A1	C2v
514	CH3MgBr	Methyl Magnesium Bromide
515	CH2CHF	Ethene, fluoro-	1A'	Cs
516	CH2FOH	fluoromethanol
517	CH2CH2Cl	2-chloroethyl radical	2A'	Cs
518	CHClCH3	1-chloroethyl radical	2A	C1
519	C2H5Br	Ethyl bromide	1A'	Cs
520	C4	Carbon tetramer	3Σg	D∞h
521	C4	Carbon tetramer
522	C4H2+	diacetlyene cation	2Πg	D∞h
523	C4H4	Tetrahedrane
524	C4H6	1-Methylcyclopropene	1A	C1
525	CH2CHCH2CH3	1-Butene	1A	C1
526	CH3CH2CH2CH3	Butane	1Ag	Anti
527	As4	Arsenic tetramer	1A1	Td
528	HCCCN+	Cyanoacetylene cation	2Π	C∞v
529	H2CNCN	cyanamide, methylene
530	HNCCNH	Ethenediimine
531	C2H5CN	ethyl cyanide	1A'	Cs
532	H2NCHCHNH2	diaminoethylene
533	CH7N3	triaminomethane
534	NH2CH2CH2CH3	1-Propanamine	1A'	Cs
535	N(SiH3)3	trisilylamine
536	Na2O2	disodium dioxide
537	K2O2	dipotassium dioxide
538	ONNO	NO dimer	1Ag	trans C2H
539	ONNO	NO dimer	1A1	cis C2V
540	S2N2	Disulfur dinitride	1AG	D2h
541	CS3--	Carbonotrithioate
542	SO3	Sulfur trioxide	1A1'	D3h
543	SO3--	Sulfate dianion
544	S4	Sulfur tetramer
545	S4	Sulfur tetramer
546	S4	Sulfur tetramer
547	HNO3	Nitric acid	1A'	Cs
548	C3H2O	Propadienal
549	C3H2O	Propadienal
550	C2H2O2	Ethanedial	1Ag	C2h
551	C2H3NO	Nitrosoethylene
552	CH3NCO	methylisocyante
553	HOCH2CN	cyanomethanol
554	CH3NO2	Methane, nitro-	1A'	Cs
555	H3AlO3	Aluminum hydroxide
556	CH2CHCHO	Acrolein	1A'	Cs
557	CH2CHCHO	Acrolein
558	CH2C(OH)NH2	1-amino vinyl alchohol
559	CH3C(OH)=NH	Ethaninidic acid
560	CH3CSNH2	Ethanethioamide
561	C3H6O	Acetone enol	1A'	Cs
562	CH3CH2CHO	Propanal	1A'	Cs
563	CH3COCH3	Acetone	1A1	C2v
564	CH3SOCH3	Dimethyl sulfoxide	1A'	Cs
565	C3H7OH	1-Propanol
566	Li2F2	Lithium fluoride dimer
567	CF2O	Carbonic difluoride	1A1	C2v
568	CF2O+	Carbonic difluoride cation
569	BF3	Borane, trifluoro-	1A'	D3h
570	BF3+	boron trifluoride cation
571	AlF3	Aluminum trifluoride	1A1'	D3h
572	BClF2	Chlorodifluoroborane
573	BCl3	Borane, trichloro-	1A1'	D3h
574	BCl3+	Boron Trichloride cation
575	GaF3	Gallium trifluoride	1A1'	D3h
576	GaCl3	Gallium trichloride	1A1'	D3h
577	CF2Cl	difluorochloromethyl radical
578	CFCl2	dichlorofluoromethyl radical
579	CBr3	tribromomethyl radical
580	ClO2F	Chloryl fluoride	1A'	Cs
581	SSCl2	Thiothionyl chloride
582	NF3	Nitrogen trifluoride	1A1	C3v
583	NCl3	nitrogen trichloride	1A1	C3v
584	NBr3	Nitrogen Tribromide	1A1	C3v
585	HClO3	Chloric Acid	1A'	Cs
586	HClO3	Chloric Acid	1A	C1
587	CHF3	Methane, trifluoro-	1A1	C3v
588	SiHF3	trifluorosilane
589	CHCl3	Chloroform	1A1	C3v
590	CHBrF2	Methane, bromodifluoro-	1A'	Cs
591	CHFClBr	fluorochlorobromomethane	1A	C1
592	CHBrCl2	Methane, bromodichloro-	1A'	Cs
593	CHBr2F	dibromofluoromethane
594	AsF3H+	Arsenic trifluoride, protonated
595	C2H2ClF	1-chloro-1-fluoroethylene	1A'	Cs
596	CHFCHCl	(E)-1-chloro-2-fluoroethene	1A'	Cs
597	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	1A'	Cs
598	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
599	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
600	C2H4F2	1,2-difluoroethane	1Ag	C2H anti
601	C2H4F2	1,2-difluoroethane	1A	C2 gauche
602	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
603	CH2BrCH2Cl	1-bromo-2-chloroethane
604	CH2BrCH2Br	Ethane, 1,2-dibromo-	1Ag	C2h
605	CH2BrCH2Br	Ethane, 1,2-dibromo-	1A	C2
606	CH2CHCH2F	Allyl Fluoride
607	CH2CHCH2F	Allyl Fluoride
608	CH3CHCHF	trans-1-Fluoro-1-propene
609	CH2FCH2OH	2-fluoroethanol
610	CH2FCH2CH3	1-Fluoropropane	1A'	Cs
611	CH2FCH2CH3	1-Fluoropropane
612	CH3CHFCH3	2-Fluoropropane	1A'	Cs
613	CH3CHClCH3	Propane, 2-chloro-	1A'	Cs
614	B5H9	pentaborane9
615	C5H4	pentatetraene
616	C5H6	Propellane	1A1	D3h
617	C5H8	Bicyclo[1.1.1]pentane
618	C3H4N2	2H-Imidazole	1A1	C2v
619	C4H5N	Pyrrole	1A1	C2v
620	C3O2	Carbon suboxide	1ΣG	D∞h
621	B2O3	diboron trioxide
622	B2O3	diboron trioxide
623	CHOOCHO	diformyl ether
624	C3H3NO	Isoxazole	1A'	Cs
625	C3H3NS	Thiazole
626	C4H4O	Furan	1A1	C2
627	CH3COCCH	3-butyn-2-one	1A'	Cs
628	C4H4Se	selenophene
629	HCOOC2H5	Ethyl formate	1A'	Cs
630	C2H6O2S	Dimethyl sulfone	1A1	C2v
631	C4H8S	Thiophene, tetrahydro-	1A	C1
632	C4H10O	Ethoxy ethane	1A1	C2v
633	C4H10O	Methyl propyl ether	1A	C1
634	C(CH3)3SH	2-Propanethiol, 2-methyl-	1A'	Cs
635	C4H9SH	1-Butanethiol
636	CF3Cl	Methane, chlorotrifluoro-	1A1	C3v
637	CF2Cl2	difluorodichloromethane	1A1	C2v
638	CF3Br	Bromotrifluoromethane	1A1	C3v
639	GeF4	Germanium tetrafluoride	1A1	Td
640	CCl4	Carbon tetrachloride	1A1	Td
641	CBrCl2F	bromodichlorofluoromethane
642	CBr2ClF	dibromochlorofluoromethane
643	CBr2Cl2	dibromodichloromethane	1A1	C2v
644	CBr3Cl	tribromochloromethane	1A1	C3v
645	CBr4	Carbon tetrabromide	1A1	Td
646	GeBr4	Germanium tetrabromide
647	SF4	Sulfur tetrafluoride	1A1	C2v
648	SeF4	Selenium tetrafluoride
649	SCl4	Sulfur tetrachloride
650	CH2ClCCCl	1,3-dichloropropyne
651	CHCl2CCH	3,3-dichloropropyne
652	CHCl2CHO	dichloroacetaldehyde
653	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A	C1
654	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A'	Cs
655	CH2CClCHCH2	1,3-Butadiene, 2-chloro-
656	CH2FCH2CH2F	1,3-difluoropropane
657	CH3CCl2CH3	Propane, 2,2-dichloro-	1A1	C2v
658	C2H2N2O	Furazan
659	C6H6	Prismane
660	C6H6	1,2,4,5-Hexatetraene	1Ag	C2h
661	C6H6	Benzene	1A1g	D6h
662	C6H6	Benzvalene	1A1	C2v
663	C6H6	Dewar Benzene
664	N3P3	1,3,5,2,4,6-Triazatriphosphorine
665	N2O4	Dinitrogen tetroxide	1Ag	D2d
666	C3H2O3	vinylene carbonate
667	C5H6O	2H-Pyran
668	C5H6O	Pentadienal
669	C4H6O2	γ–Butyrolactone	1A	C1
670	C3H6O3	1,3,5-Trioxane	1A1	C1
671	C4H8O2	Ethyl acetate	1A'	Cs
672	C5H10O	3-Pentanone	1A1	C2v
673	C4F2	difluorobutadiyne
674	C2ClF3	Ethene, chlorotrifluoro-
675	C2Br4	tetrabromoethene
676	SiF5-	silicon pentafluoride anion
677	PF5	Phosphorus pentafluoride	1A1'	D3h
678	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
679	CH2BrCBr3	1,1,1,2-tetrabromo ethane
680	C7H7	cycloheptatrienyl radical	2A2	C2v
681	C7H7+	cycloheptatrienyl cation	1A1'	D7h
682	CH(CN)3	tricyanomethane
683	HN=C=C(CN)2	Dicyanoketenimine
684	C5H4O2	furfural	1A'	OCCO cis
685	C5H4O2	furfural	1A'	OCCO trans
686	C6H12O	Oxepane
687	F2CCCF2	tetrafluoroallene
688	SF6	Sulfur Hexafluoride	1A1G	Oh
689	C8H8	cubane	1A1G	Oh
690	S4N4	Tetrasulfur tetranitride
691	C6H5CHO	benzaldehyde	1A'	Cs
692	C6H4F2	1,4-difluorobenzene	1Ag	D2h
693	C6H4Cl2	1,4-dichlorobenzene
694	C6H5NO	nitrosobenzene	1A'	Cs
695	C3F6	hexafluoropropene
696	C8H18O	1-Octanol
697	C10H10	bullvalene
698	B12H12--	Dodecahydrododecaborate(2-)
699	C13H10	Fluorene
700	C14H14	Bibenzyl	1A	C2

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	Li-	Lithium atom anion	li-
14	Na-	Sodium atom anion	na-
15	K-	Potassium atom anion	k-
16	K+	Potassium atom cation	k+
17	Cu-	Copper atom anion	cu-
18	Cu+	Copper atom cation	cu+
19	LiH-	lithium hydride anion	lih-
20	LiH+	lithium hydride cation	lih+
21	NaH	sodium hydride	nah
22	NaH-	sodium hydride anion	nah-
23	NaH+	sodium hydride cation	nah+
24	KH+	Potassium hydrogen cation	kh+
25	CuH	Copper monohydride	cuh
26	Be-	Beryllium atom anion	be-
27	Mg-	Magnesium atom anion	mg-
28	Ca	Calcium atom	ca
29	Ca-	Calcium atom anion	ca-
30	Ca+	Calcium atom cation	ca+
31	Zn-	Zinc atom anion	zn-
32	Zn+	Zinc atom cation	zn+
33	BeH	beryllium monohydride	beh
34	BeH-	berylium monohydride anion	beh-
35	BeH+	beryllium monohydride cation	beh+
36	MgH-	magnesium monohydride anion	mgh-
37	MgH+	magnesium monohydride cation	mgh+
38	CaH	Calcium monohydride	cah
39	CaH+	Calcium monohydride cation	cah+
40	TiH	Titanium monohydride	tih
41	ZnH	Zinc monohydride	znh
42	BeH2	beryllium dihydride	beh2
43	MgH2	magnesium dihydride	mgh2
44	ZnH2	Zinc hydride	znh2
45	B-	Boron atom anion	b-
46	Sc	Scandium atom	sc
47	Sc+	Scandium cation	sc+
48	BH	Boron monohydride	bh
49	BH-	boron monohydride anion	bh-
50	BH+	boron monohydride cation	bh+
51	AlH	aluminum monohydride	alh
52	AlH-	aluminum monohydride anion	alh-
53	AlH+	aluminum monohydride cation	alh+
54	ScH	Scandium monohydride	sch
55	ScH+	Scandium monohydride cation	sch+
56	BH2	boron dihydride	bh2
57	BH2-	boron dihydride anion	bh2-
58	BH2+	Boron dihydride cation	bh2+
59	AlH2	aluminum dihydride	alh2
60	AlH2-	aluminum dihydride anion	alh2-
61	AlH2+	aluminum dihydride cation	alh2+
62	BH3	boron trihydride	bh3
63	BH3-	boron trihydride anion	bh3-
64	AlH3	aluminum trihydride	alh3
65	AlH3+	aluminum trihydride cation	alh3+
66	ScH3	Scandium trihydride	sch3
67	GaH3	Gallium trihydride	gah3
68	BH4	borohydride	bh4
69	AlH4-	Aluminum tetrahydride anion	alh4-
70	C-	Carbon atom anion	c-
71	Ti	Titanium atom	ti
72	Ti-	Titanium atom anion	ti-
73	Ti+	Titanium atom cation	ti+
74	Sn	Tin atom	sn
75	Sn+	Tin cation	sn+
76	CH-	methylidyne anion	ch-
77	CH+	Methylidyne cation	ch+
78	SiH-	silicon monohydride anion	sih-
79	SiH+	silicon monohydride cation	sih+
80	GeH+	Germaniun monohyrdide cation	geh+
81	CH2	Methylene	ch2
82	CH2+	methylene cation	ch2+
83	SiH2	silicon dihydride	sih2
84	SiH2-	silicon dihydride anion	sih2-
85	SiH2+	silicon dihydride cation	sih2+
86	GeH2-	germylene anion	geh2-
87	CH3-	methyl anion	ch3-
88	CH3+	methyl cation	ch3+
89	SiH3-	Silyl anion	sih3-
90	CD4	methane-d4	cd4
91	CH2D2	methane-d2	ch2d2
92	CH3D	methane-d	ch3d
93	CH4-	Methane anion	ch4-
94	CH4+	Methane cation	ch4+
95	CHD3	methane-d3	chd3
96	SiH4+	Silane cation	sih4+
97	SnH4	Stannane	snh4
98	N-	Nitrogen atom anion	n-
99	P-	Phosphorus atom anion	p-
100	P+	Phosphorus atom cation	p+
101	V	Vanadium atom	v
102	Sb	Antimony atom	sb
103	NH	Imidogen	nh
104	NH-	Imidogen anion	nh-
105	NH+	imidogen cation	nh+
106	PH-	phosphorus monohydride anion	ph-
107	PH+	phosphorus monohydride cation	ph+
108	AsH+	Arsenic monohydride cation	ash+
109	SbH	Antimony monohydride	sbh
110	ND2	Amidogen-d2	nd2
111	NH2-	amino anion	nh2-
112	PH2	Phosphino radical	ph2
113	PH2-	Phosphino anion	ph2-
114	PH2+	Phosphino cation	ph2+
115	AsH2	Arsenic dihydride	ash2
116	AsH2+	Arsenic dihydride cation	ash2+
117	ND3	Ammonia-d3	nd3
118	NH3-	Ammonia anion	nh3-
119	NH3+	ammonia cation	nh3+
120	SbH3	Stibine	sbh3
121	NH4+	ammonium cation	nh4+
122	PH4+	phosphonium cation	ph4+
123	O-	Oxygen atom anion	o-
124	S-	Sulfur atom anion	s-
125	S+	Sulfur atom cation	s+
126	Cr	Chromium atom	cr
127	Te	Tellurium atom	te
128	Te+	Tellurium atom cation	te+
129	DO	Hydroxyl-d	od
130	OH-	hydroxide anion	oh-
131	DS	Mercapto-d	ds
132	HS	Mercapto radical	hs
133	TeH	Telluryl radical	teh
134	D2O	Deuterium oxide	d2o
135	D2S	Hydrogen sulfide-d2	d2s
136	H2S-	Hydrogen sulfide anion	h2s-
137	H2Te	Hydrogen Telluride	h2te
138	H3O+	hydronium cation	h3o+
139	F-	Fluorine atom anion	f-
140	Cl-	Chlorine atom anion	cl-
141	Mn	Manganese atom	mn
142	I	Iodine atom	iodine
143	I-	Iodine atom anion	iodine-
144	I+	Iodine atom cation	iodine+
145	DF	Hydrofluoric acid-d	df
146	DCl	Hydrochloric acid-d	dcl
147	HI	Hydrogen iodide	hi
148	HI+	Hydrogen iodide cation	hi+
149	H2F+	dihydrogen fluoride cation	h2f+
150	H2I+	Iodonium	h2i+
151	Ne-	Neon atom anion	ne-
152	Ar-	Argon atom anion	ar-
153	Ar+	Argon atom cation	ar+
154	Fe	Iron atom	fe
155	Xe	Xenon atom	xe
156	NeH	neon hydrogen	neh
157	NeH+	neon hydrogen cation	neh+
158	XeH+	Xenon, protonated	xeh+
159	H2Ar	H2 Ar dimer	h2ar
160	Co	Cobalt atom	cobalt
161	Ni	Nickel atom	ni
162	Li2	Lithium diatomic	li2
163	Li2-	lithium diatomic anion	li2-
164	Li2+	lithium diatomic cation	li2+
165	NaLi-	lithium sodium anion	lina-
166	NaLi+	lithium sodium cation	lina+
167	LiK	Lithium Potassium	lik
168	Na2+	sodium diatomic cation	na2+
169	NaK	Sodium Potassium	nak
170	NaK+	Sodium Potassium diatomic cation	nak+
171	K2	Potassium diatomic	k2
172	Cu2	Copper diatomic	cu2
173	LiBe	Lithium Beryllium	libe
174	LiMg	Lithium magnesium	limg
175	NaBe	Sodium Beryllium	nabe
176	NaMg	Sodium Magnesium	namg
177	Be2	Beryllium diatomic	be2
178	Be2-	Beryllium diatomic anion	be2-
179	Be2+	Beryllium diatomic cation	be2+
180	BeMg	Beryllium Magnesium	bemg
181	Mg2	Magnesium diatomic	mg2
182	Mg2-	magnesium diatomic anion	mg2-
183	Mg2+	magnesium diatomic cation	mg2+
184	Ca2	Calcium diatomic	ca2
185	LiB	Lithium boride	lib
186	NaAl	Sodium aluminum	naal
187	BeB	Beryllium monoboride	beb
188	B2	Boron diatomic	b2
189	B2-	Boron diatomic anion	b2-
190	B2+	Boron diatomic cation	b2+
191	BAl	Boron Aluminum	bal
192	Al2	Aluminum diatomic	al2
193	Al2-	aluminum diatomic anion	al2-
194	Al2+	aluminum diatomic cation	al2+
195	BGa	Boron Gallium	bga
196	AlGa	Aluminum Gallium	alga
197	Ga2	Gallium diatomic	ga2
198	LiBH4	Lithium borohydride	libh4
199	HBHHBH	Diborane(4) C2V	hbhhbh
200	Al2H6	dialane	al2h6
201	Ga2H6	digallane	ga2h6
202	LiC	Lithium Carbide	lic
203	BeC	Beryllium Carbide	bec
204	BC	boron monocarbide	bc
205	BC-	boron monocarbide anion	bc-
206	BC+	boron monocarbide cation	bc+
207	AlC	Aluminum carbide	alc
208	C2	Carbon diatomic	c2
209	C2-	carbon diatomic anion	c2-
210	C2+	carbon diatomic cation	c2+
211	SiC	silicon monocarbide	sic
212	SiC-	silicon monocarbide anion	sic-
213	SiC+	silicon monocarbide cation	sic+
214	Si2-	silcon diatomic anion	si2-
215	Si2+	silcon diatomic cation	si2+
216	Ge2	Germanium diatomic	ge2
217	C2H	Ethynyl radical	c2h
218	C2H+	Ethynyl cation	c2h+
219	ZnCH2	Zinc methylene	znch2
220	CCH2	vinylidene	vinylidene
221	CuCH3	monomethyl copper	cuch3
222	ZnCH3	Zinc monomethyl	znch3
223	CH2BH	methyleneborane	ch2bh
224	C2H3-	vinyl anion	c2h3-
225	C2H4-	Ethylene anion	c2h4-
226	CH3CH	methylmethylene	ch3ch
227	CH2SiH2	silaethylene	ch2sih2
228	CH3BH2	methylborane	ch3bh2
229	C2H5-	Ethyl anion	c2h5-
230	C2H5+	Ethyl cation	c2h5+
231	C2H6+	ethane cation	c2h6+
232	CH3SiH3	methyl silane	ch3sih3
233	GeH3CH3	methyl germane	geh3ch3
234	C2H7+	Ethane, protonated	c2h7+
235	LiN+	Lithium Nitride cation	lin+
236	BeN	Beryllium mononitride	ben
237	BeN-	Beryllium mononitride anion	ben-
238	BeN+	Beryllium mononitride cation	ben+
239	BN-	boron nitride anion	bn-
240	AlN-	aluminum mononitride anion	aln-
241	AlN+	aluminum mononitride cation	aln+
242	BP	Boron monophosphide	bp
243	AlP	Aluminum monophosphide	alp
244	GaN	Gallium mononitride	gan
245	GaP	Gallium monophosphide	gap
246	BN	boron nitride	bn
247	BN+	boron nitride cation	bn+
248	AlN	Aluminum nitride	aln
249	CN-	cyanide anion	cn-
250	CN+	Cyano cation	cn+
251	CP	Carbon monophosphide	cp
252	CP-	carbon monophosphide anion	cp-
253	CP+	carbon monophosphide cation	cp+
254	SiN	Silicon nitride	sin
255	SiN-	silicon mononitride anion	sin-
256	SiN+	silicon mononitride cation	sin+
257	SiP-	Silicon monophosphide anion	sip-
258	SiP+	Silicon monophosphide cation	sip+
259	TiN	Titanium mononitride	tin
260	N2-	nitrogen diatomic anion	n2-
261	N2+	diatomic nitrogen cation	n2+
262	PN-	phosphorus nitride anion	pn-
263	PN+	phosphorus nitride cation	pn+
264	P2	Phosphorus diatomic	p2
265	P2-	phosphorus diatomic anion	p2-
266	P2+	phosphorus diatomic cation	p2+
267	AsN	Arsenic mononitride	asn
268	AsP	Arsenic monophosphide	asp
269	SbN	Antimony nitride	sbn
270	As2	Arsenic diatomic	as2
271	HNB	hydrogen nitrogen boron	hnb
272	HNC	hydrogen isocyanide	hnc
273	HCN-	Hydrogen cyanide anion	hcn-
274	HCP	Phosphaethyne	hcp
275	NNH	Dinitrogen monohydride	nnh
276	HPO	Hydrogen phosphorus oxide	hpo
277	HPO+	Hydrogen phosphorus oxide cation	hpo+
278	CNH2	Aminomethylidyne radical	cnh2
279	CNH2+	N-protonated hydrogen isocyanide	cnh2+
280	H2CN	Dihydrogen cyanide radical	h2cn
281	H2CN+	hydrocyanonium cation	h2cn+
282	HCNH	methyleneazane	hcnh
283	HCNH+	N-protonated HCN	hcnh+
284	N2H2	(E)-diazene	n2h2
285	N2H2	(Z)-Diazene	n2h2z
286	CH2PH	Phosphaethene	ch3p
287	CH2NH2+	methyleneamine cation	ch2nh2+
288	N2H4+	hydrazine cation	n2h4+
289	P2H4	Diphosphine	p2h4
290	CH3NH2+	methyl amine cation	ch3nh2+
291	CH3PH2	Methyl phosphine	ch3ph2
292	N2H5+	protonated hydrazine	n2h5+
293	CH3NH3+	protonated methylamine	ch3nh3+
294	CH3PH3+	methyl phosphine, protonated	ch3ph3+
295	NH3NH3	Ammonia Dimer	nh3nh3
296	LiO	lithium oxide	lio
297	LiO-	lithium oxide anion	lio-
298	LiO+	lithium oxide cation	lio+
299	LiS	Lithium monosulfide	lis
300	LiS+	Lithium sulfide cation	lis+
301	NaO	sodium monoxide	nao
302	NaO-	sodium oxide anion	nao-
303	NaO+	sodium oxide cation	nao+
304	KO	Potassium monoxide	ko
305	KO+	Potassium monoxide cation	ko+
306	NaS	Sodium sulfide	nas
307	CuO	Copper Monoxide	cuo
308	BeO	beryllium oxide	beo
309	BeO-	Beryllium monoxide anion	beo-
310	BeO+	Beryllium monoxide cation	beo+
311	BeS	beryllium sulfide	bes
312	MgO	magnesium oxide	mgo
313	MgO-	magnesium oxide anion	mgo-
314	MgO+	magnesium oxide cation	mgo+
315	MgS	magnesium sulfide	mgs
316	MgS-	magnesium sulfide anion	mgs-
317	MgS+	magnesium sulfide cation	mgs+
318	ZnO	zinc monoxide	zno
319	ZnS	Zinc sulfide	zns
320	BeS-	Beryllium monosulfide anion	bes-
321	BeS+	Beryllium monosulfide cation	bes+
322	BO-	boron monoxide anion	bo-
323	AlO	Aluminum monoxide	alo
324	AlO-	Aluminum monoxide anion	alo-
325	AlO+	aluminum monoxide cation	alo+
326	BS	boron sulfide	bs
327	BS-	boron monosulfide anion	bs-
328	BS+	boron monosulfide cation	bs+
329	AlS	Aluminum sulfide	als
330	AlS-	aluminum monosulfide anion	als-
331	AlS+	aluminum monosulfide cation	als+
332	ScO	Scandium monoxide	sco
333	BO+	boron monoxide cation	bo+
334	CS	carbon monosulfide	cs
335	CS-	carbon monosulfide anion	cs-
336	CS+	carbon monosulfide cation	cs+
337	SiO-	silicon monoxide anion	sio-
338	SiO+	silicon monoxide cation	sio+
339	SiS-	silicon monosulfide anion	sis-
340	SiS+	silicon monosulfide cation	sis+
341	TiO	Titanium monoxide	tio
342	CSe-	Carbon monoselenide anion	cse-
343	CSe+	Carbon monoselenide cation	cse+
344	GeO+	Germanium monoxide cation	geo+
345	GeS	Germanium monosulfide	ges
346	NS	Mononitrogen monosulfide	ns
347	NS-	nitrogen sulfide anion	ns-
348	NS+	nitrogen sulfide cation	ns+
349	PO-	phosphorus monoxide anion	po-
350	PO+	phosphorus monoxide cation	po+
351	PS-	phosphorus monosulfide anion	ps-
352	PS+	phosphorus monosulfide cation	ps+
353	VO	Vanadium monoxide	vo
354	AsO	Arsenic monoxide	aso
355	O2-	oxygen diatomic anion	o2-
356	O2+	diatomic oxygen cation	o2+
357	SO-	sulfur monoxide anion	so-
358	S2-	sulfur diatomic anion	s2-
359	S2+	sulfur diatomic cation	s2+
360	SeO-	selenium monoxide anion	seo-
361	SeO+	selenium monoxide cation	seo+
362	SeS	Selenium monosulfide	ses
363	SeS-	selenium monosulfide anion	ses-
364	SeS+	selenium monosulfide cation	ses+
365	TeO	Tellurium monoxide	teo
366	Se2-	selenium diatomic anion	se2-
367	Se2+	selenium diatomic cation	se2+
368	Te2	Tellurium diatomic	te2
369	NaOH	sodium hydroxide	naoh
370	MgOH	magnesium hydroxide	mgoh
371	CaOH	Calcium monohydroxide	caoh
372	COH+	Carbon Monoxide, protonated	coh+
373	HCS	Thioformyl radical	hcs
374	HCS-	Thioformyl anion	hcs-
375	HCS+	Thioformyl cation	hcs+
376	HNO-	Nitrosyl hydride anion	hno-
377	NOH	Hydroxyimidogen	noh
378	NOH+	O-protonated nitric oxide	noh+
379	HNS	Sulfur imide	hns
380	HNS-	Sulfur imide anion	hns-
381	HO2	Hydroperoxy radical	ho2
382	HO2-	Hydroperoxy anion	ho2-
383	HO2+	Hydroperoxy cation	ho2+
384	HS2	Thiosulfeno radical	hs2
385	HOCH	hydroxycarbene	hoch
386	H2CS+	thioformaldehyde cation	h2cs+
387	H2NO	nitroxide	h2no
388	H2O2+	Hydrogen peroxide cation	h2o2+
389	H2S2	Disulfane	h2s2
390	H2S2+	hydrogen disulfide cation	h2s2+
391	CH2OH	Hydroxymethyl radical	ch2oh
392	CH3O	Methoxy radical	ch3o
393	CH3O+	Methoxy cation	ch3o+
394	CH3S	thiomethoxy	ch3s
395	H2CSH+	Thioformaldehyde, protonated	h2csh+
396	NH3O	Ammonia Oxide	nh3o
397	H2POH	Phosphinous acid	h2poh
398	H3PO	Phosphine oxide	h3po
399	H3O2+	hydrogen peroxide, protonated	h3o2+
400	CH3OH-	Methyl alcohol anion	ch3oh-
401	CH3SH+	Methanethiol cation	ch3sh+
402	CH3SeH	Methane selenol	ch3seh
403	H2OH2O	water dimer	h2oh2o
404	CH3OH2+	Methanol, protonated	ch3oh2+
405	CH3SH2+	protonated methylsulfide	ch3sh2+
406	H2ONH3	Water Ammonia Dimer	h2onh3
407	LiCl-	lithium chloride anion	licl-
408	LiCl+	lithium chloride cation	licl+
409	NaF	sodium fluoride	naf
410	NaF-	sodium fluoride anion	naf-
411	KF	Potassium Fluoride	kf
412	NaCl	Sodium Chloride	nacl
413	NaCl-	sodium chloride anion	nacl-
414	NaCl+	sodium chloride cation	nacl+
415	KCl	Potassium Chloride	kcl
416	CuF	Copper monofluoride	cuf
417	LiBr-	lithium bromide anion	libr-
418	LiBr+	lithium bromide cation	libr+
419	CuCl	Copper monochloride	cucl
420	NaBr	Sodium Bromide	nabr
421	NaBr-	sodium bromide anion	nabr-
422	NaBr+	sodium bromide cation	nabr+
423	KBr	Potassium Bromide	kbr
424	LiI	Lithium Iodide	lii
425	NaI	Sodium Iodide	nai
426	KI	Potassium Iodide	ki
427	LiF-	lithium fluoride anion	lif-
428	BeF	Beryllium monofluoride	bef
429	BeF-	Beryllium monofluoride anion	bef-
430	BeF+	Beryllium monofluoride cation	bef+
431	BeCl	beryllium monochloride	becl
432	MgF	Magnesium monofluoride	mgf
433	MgF-	magnesium fluoride anion	mgf-
434	MgF+	magnesium fluoride cation	mgf+
435	CaF	Calcium monofluoride	caf
436	MgCl	magnesium monochloride	mgcl
437	MgCl-	magnesium monochloride anion	mgcl-
438	MgCl+	magnesium monochloride cation	mgcl+
439	CaCl	calcium monochloride	cacl
440	TiCl	Titanium Monochloride	ticl
441	ZnF	Zinc monofluoride	znf
442	ZnF-	Zinc monofluoride anion	znf-
443	ZnF+	Zinc monofluoride cation	znf+
444	ZnCl	Zinc monochloride	zncl
445	BeCl-	beryllium monochloride anion	becl-
446	BeCl+	beryllium monochloride cation	becl+
447	BF-	Boron monofluoride anion	bf-
448	BF+	Boron monofluoride cation	bf+
449	AlF-	Aluminum monofluoride anion	alf-
450	AlF+	Aluminum monofluoride cation	alf+
451	BCl	boron monochloride	bcl
452	BCl-	boron monochloride anion	bcl-
453	BCl+	boron monochloride cation	bcl+
454	AlCl	Aluminum monochloride	alcl
455	AlCl-	aluminum monochloride anion	alcl-
456	AlCl+	aluminum monochloride cation	alcl+
457	ScF	Scandium monofluoride	scf
458	BBr	Boron monobromide	bbr
459	GaF+	Gallium monofluoride cation	gaf+
460	GaCl+	Gallium monochloride cation	gacl+
461	AlI	Aluminum monoiodide	ali
462	CF-	carbon monofluoride anion	cf-
463	CF+	carbon monofluoride cation	cf+
464	CCl	carbon monochloride	ccl
465	CCl-	carbon monochloride anion	ccl-
466	CCl+	carbon monochloride cation	ccl+
467	SiF	silicon monofluoride	sif
468	SiF-	silicon monofluoride anion	sif-
469	SiF+	silicon monofluoride cation	sif+
470	SiCl-	silicon monochloride anion	sicl-
471	SiCl+	silicon monochloride cation	sicl+
472	GeF+	Germanium monofluoride cation	gef+
473	NF	nitrogen fluoride	nf
474	NF-	nitrogen monofluorine anion	nf-
475	NF+	nitrogen monofluoirde cation	nf+
476	NCl-	nitrogen monochloride anion	ncl-
477	NCl+	nitrogen monochloride cation	ncl+
478	PF	phosphorus monofluoride	pf
479	PF-	phosphorus monofluoride anion	pf-
480	PF+	phosphorus monofluoride cation	pf+
481	PCl	phosphorus chloride	pcl
482	PCl-	phosphorus monochloride anion	pcl-
483	PCl+	phosphorus monochloride cation	pcl+
484	AsF	Arsenic monofluoride	asf
485	NBr	nitrogen monobromide	nbr
486	AsCl	Arsenic monochloride	ascl
487	SbF	Antimony monofluoride	sbf
488	SbCl	Antimony monochloride	sbcl
489	FO	Oxygen monofluoride	fo
490	FO-	flourine oxide anion	fo-
491	FO+	fluorine monoxide cation	fo+
492	ClO-	chlorine monoxide anion	clo-
493	SF-	sulfur monofluoride anion	sf-
494	SCl	sulfur monochloride	scl
495	SCl-	sulfur monochloride anion	scl-
496	BrO-	Bromine monoxide anion	bro-
497	SeF	Selenium monofluoride	sef
498	SeCl	Selenium monochloride	secl
499	IO	Iodine monoxide	io
500	F2-	flourine diatomic anion	f2-
501	ClF-	clorine monofluoride anion	clf-
502	Cl2-	chlorine diatomic anion	cl2-
503	BrF-	bromine fluoride anion	brf-
504	BrF+	bromine fluoride cation	brf+
505	BrCl-	bromine chloride anion	brcl-
506	BrCl+	bromine chloride cation	brcl+
507	IF	Iodine monofluoride	if
508	ICl	Iodine monochloride	icl
509	IBr	Iodine monobromide	ibr
510	I2	Iodine diatomic	i2
511	I2+	Iodine diatomic cation	i2+
512	HCCl	Chloromethylene	hccl
513	CHBr	bromomethylene	chbr
514	DOCl	Hypochlorous acid-d	docl
515	HOBr	Hypobromous acid	hobr
516	HOBr+	Hypobromous acid cation	hobr+
517	HOI	Hypoiodous acid	hoi
518	FHF	Hydrogen difluoride	fhf
519	FHF-	Hydrogen difluoride anion	fhf-
520	NH2F	monofluoroamine	nh2f
521	H2F2	Hydrogen fluoride dimer	h2f2
522	CD3F	methylfluoride-d3	cd3f
523	CD3Cl	methyl chloride d3	cd3cl
524	SiH3Br	bromosilane	sih3br
525	CH3I	methyl iodide	ch3i
526	SiH3I	Silyl Iodide	sih3i
527	Ne2	Neon diatomic	ne2
528	Ne2+	Neon diatomic cation	ne2+
529	Ar2+	Argon diatomic cation	ar2+
530	Li3	Lithium trimer	li3
531	Li3+	Lithium trimer cation	li3+
532	C3+	carbon trimer cation	c3+
533	C3H3	cyclopropenyl radical	cpr
534	C3H3	Propargyl radical	propargyl
535	C3H3-	Propargyl anion	c3h3-
536	C3H3+	cyclopropenyl cation	cpr+
537	C3H3+	Propargyl cation	c3h3+
538	C3H5+	Allyl cation	allyl+
539	CH3CHCH	1-propenyl radical	ch3chch
540	Zn(CH3)2	dimethyl zinc	dmz
541	C3H7+	cyclopropane, protonated	c3h7+
542	SiH2(CH3)2	dimethylsilane	dms
543	NaCN	Sodium Cyanide	nacn
544	CuCN	Copper cyanide	cucn
545	CN2	3H-Diazirin-3-ylidene	cn2
546	NCN	Cyanoimidogen	ncn
547	N3-	azide anion	n3-
548	N3+	azide cation	n3+
549	HCCN	cyanomethylene	hccn
550	HCNN	diazomethyl radical	hcnn
551	CH2N2	diazirine	ch2n2
552	CH2NN	diazomethane	ch2nn
553	NH2CN	cyanamide	cyanamide
554	CH3CN+	Acetonitrile cation	ch3cn+
555	CH3NC	methyl isocyanide	ch3nc
556	HNCNH2+	diiminomethane, protonated	hncnh2+
557	NCNH3+	Cyanamide, protonated	ncnh3+
558	CH2CHNH	vinylazine	ch2chnh
559	CH3CHN	methylmethaniminyl radical	ch3chn
560	NHCHNH2	aminomethanimine	cn2h4
561	C2H5N	Aziridine	c2h5n
562	CH2CHNH2	aminoethene	aminoethene
563	CH2NCH3	N-methylmethanimine	nmm
564	CH3CHNH	ethanimine	ethanimine
565	NH2BHNH2	diaminoborane	nh2bhnh2
566	C2H5NH+	Protonated Aziridine	c2h5nh+
567	NH2CH2NH2	diaminomethane	nh2ch2nh2
568	CH3NHCH3	Dimethylamine	ch3nhch3
569	CH3PHCH3	dimethylphosphine	ch3phch3
570	NH2CH2NH3+	diaminoethane, protonated	pdam
571	(CH3)2NH2+	dimethylammonium cation	dmam
572	CH3CH2NH3+	ethylamine, protonated	pea
573	Li2O+	dilithium oxide cation	li2o+
574	Li2S	dilithium sulfide	li2s
575	CCO	Dicarbon monoxide	cco
576	CNO-	fulminate	cno-
577	NCO-	cyanate	nco-
578	SCN	thiocyanato radical	scn
579	SCN-	thiocyanide anion	scn-
580	BO2	Boron dioxide	bo2
581	BO2-	Boron dioxide anion	bo2-
582	BO2+	Boron dioxide cation	bo2+
583	N2O-	Nitrous oxide anion	n2o-
584	N2O+	Nitrous oxide cation	n2o+
585	NNS	Nitrogen sulfide	nns
586	PPO	Phosphorus oxide phosphide	ppo
587	CO2-	Carbon dioxide anion	co2-
588	CO2+	Carbon dioxide cation	co2+
589	OCS+	Carbonyl sulfide cation	cos+
590	SiO2	silicon dioxide	sio2
591	CS2-	Carbon disulfide anion	cs2-
592	CS2+	Carbon disulfide cation	cs2+
593	TiO2	Titanium dioxide	tio2
594	SiS2	Silicon disulfide	sis2
595	GeS2	Germanium disulfide	ges2
596	CSe2	Carbon diselenide	cse2
597	SCTe	Carbon sulfide Telluride	scte
598	NO2-	Nitrogen dioxide anion	no2-
599	NO2+	Nitrogen dioxide cation	no2+
600	PO2	Phosphorus dioxide	po2
601	PO2-	Phosphorus dioxide anion	po2-
602	PO2+	Phosphorus dioxide cation	po2+
603	AsO2	Aresenic dioxide	aso2
604	O3	Ozone	o3
605	O3-	Ozone anion	o3-
606	O3+	Ozone cation	o3+
607	SO2-	Sulfur dioxide anion	so2-
608	SO2+	Sulfur dioxide cation	so2+
609	S3-	Sulfur trimer anion	s3-
610	S3+	Sulfur trimer cation	s3+
611	SeO2+	Selenium dioxide cation	seo2+
612	TeO2	Tellurium Dioxide	teo2
613	CS2H+	Carbon disulfide, protonated	cs2h+
614	HNCO	Isocyanic acid	hnco
615	HOCN	cyanic acid	hocn
616	HCO2-	formate anion	hco2-
617	HNNO	nitrosoazane	hnno
618	HNNO+	Nitrous oxide, N-protonated	hnno+
619	NNOH+	Nitrous Oxide, O-protonated	nnoh+
620	HCOO	formate neutral radical	hcoo
621	HOCO+	Hydrocarboxyl cation	hoco+
622	HNO2	Nitrous acid	hno2
623	HNO2+	nitrous acid cation	hno2+
624	SO2H+	protonated sulfur dioxide	so2h+
625	CH2CO+	Ketene cation	ch2co+
626	HCCOH	ethynol	hccoh
627	Mg(OH)2	Magnesium dihydroxide	h2mgo2
628	NH2NO	Nitrosamide	nh2no
629	CH2O2	Dioxirane	diox
630	H2O3	Hydrogen trioxide	h2o3
631	HSSSH	trisulfane	hsssh
632	NaOCH3	Sodium methoxide	naoch3
633	CH2BOH	hydroxy(methylene)borane	ch2boh
634	CH3BO	Borane, methyloxo-	ch3bo
635	CH2CHO	Vinyloxy radical	ch2cho
636	CH3CO	Acetyl radical	ch3co
637	CH3CO-	Acetyl anion	ch3co-
638	CH3CO+	acetyl cation	ch3co+
639	CH2NOH	formaldoxime	ch2noh
640	CH3NO	nitrosomethane	ch3no
641	CHONH2	formamide	formamide
642	CNOH3	1,2-oxaziridine	cnoh3
643	CH2OOH	CH2OOH radical	ch2ooh
644	CH3OO	methylperoxy radical	ch3oo
645	CH3OO-	methylperoxy anion	ch3oo-
646	CH3OO+	methylperoxy cation	ch3oo+
647	CH2CHOH	ethenol	ch2choh
648	H2CONH2+	protonated formamide	h2conh2+
649	NH3CHO+	Formamide, N-Protonated	nh3cho+
650	CH2(OH)2	methanediol	ch2o2h2
651	CH3OOH	Methyl peroxide	ch3ooh
652	H2OH2CO	water formaldehyde dimer	h2oh2co
653	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
654	CH3CH2O	Ethoxy radical	ethoxy
655	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
656	CH3CHOH+	acetaldehyde, protonated	ch3choh+
657	CH3OCH2	methoxymethyl radical	ch3och2
658	CH3SeCH3	dimethylselenide	dmse
659	CH3OHH2O	methanol water dimer	ch3ohh2o
660	H2OCH3OH	water methanol dimer	h2och3oh
661	CuF2	Copper difluoride	cuf2
662	ZnF2	Zinc difluoride	znf2
663	FCN	Cyanogen fluoride	fcn
664	ClCN	chlorocyanogen	clcn
665	ICN	Cyanogen iodide	icn
666	BeF2	Beryllium fluoride	bef2
667	MgF2	Magnesium fluoride	mgf2
668	BeCl2	Beryllium chloride	becl2
669	MgCl2	Magnesium dichloride	mgcl2
670	CaCl2	Calcium Chloride	cacl2
671	ZnCl2	Zinc dichloride	zncl2
672	CaF2	Calcium difluoride	caf2
673	FCO	Carbonyl fluoride	fco
674	FCO+	Carbonyl fluoride cation	fco+
675	ClCO	carbonyl monochloride	clco
676	FNS	Thionitrosyl fluoride	fns
677	BrNO	Nitrosyl bromide	brno
678	INO	Nitrosyl iodide	ino
679	CF2-	Difluoromethylene anion	cf2-
680	CF2+	Difluoromethylene cation	cf2+
681	SiF2+	Silicon difluoride cation	sif2+
682	CCl2	dichloromethylene	ccl2
683	CCl2-	dichloromethylene anion	ccl2-
684	CCl2+	dichloromethylene cation	ccl2+
685	SiCl2	Dichlorosilylene	sicl2
686	GeF2	Germanium difluoride	gef2
687	FOO	Dioxygen monofluoride radical	foo
688	ClOO	chloroperoxy radical	cloo
689	ClOO+	chloroperoxy cation	cloo+
690	OClO+	Chlorine dioxide cation	oclo+
691	ClSO	Sulfur chloride oxide	clso
692	ClS2	Sulfur chloride	cls2
693	OBrO	Bromine dioxide radical	obro
694	NF2	Difluoroamino radical	nf2
695	NF2+	Difluoroamino cation	nf2+
696	F2O	Difluorine monoxide	f2o
697	SF2-	sulfur difluoride anion	sf2-
698	SF2+	sulfur difluoride cation	sf2+
699	Cl2O	Dichlorine monoxide	cl2o
700	SCl2	Sulfur dichloride	scl2
701	BrOCl	Bromine hypochlorite	brocl
702	BrOBr	Bromine oxide	brobr
703	F3-	trifluoride anion	f3-
704	Cl3-	trichloride anion	cl3-
705	I3-	triiodide	i3-
706	HCCF+	fluoroacetylene cation	hccf+
707	HCCCl	Chloroacetylene	hcccl
708	HFCO	formyl fluoride	hfco
709	HFCO+	formyl fluoride cation	hfco+
710	COHCl	Formyl chloride	cohcl
711	COHBr	Formyl bromide	cohbr
712	BHF2	Difluoroborane	bhf2
713	BHCl2	Borane, dichloro-	bhcl2
714	CHCl2	dichloromethyl radical	chcl2
715	HOClO	Chlorous acid	hoclo
716	CH2FCl	fluorochloromethane	ch2fcl
717	CH2BrF	Methane, bromofluoro-	ch2fbr
718	CH2FI	fluoroiodomethane	ch2fi
719	CH2ClI	chloroiodomethane	ch2cli
720	CH2BrI	bromoiodomethane	ch2bri
721	CH2I2	Diiodomethane	ch2i2
722	SiH2Cl2	dichlorosilane	sih2cl2
723	CH2CHF+	fluoroethene cation	ch2chf+
724	C2H3Cl	Ethene, chloro-	ch2chcl
725	C2H3Br	vinyl bromide	c2h3br
726	C2H3I	Vinyl iodide	c2h3i
727	CH3OCl	methyl hypochlorite	ch3ocl
728	C2H5F	fluoroethane	c2h5f
729	CH3CH2Cl	Ethyl chloride	c2h5cl
730	CH3SiFH2	fluoromethylsilane	ch3sifh2
731	C2H5I	Ethyl iodide	c2h5i
732	KrF2	Krypton difluoride	krf2
733	XeF2	Xenon difluoride	xef2
734	B4H10	Tetraborane(10)	b4h10
735	C4+	Carbon tetramer cation	c4+
736	C4H2	Diacetylene	c4h2
737	C2H3CCH	1-Buten-3-yne	c2h3cch
738	C4H4	cyclobutadiene	cbd
739	H2CCCCH2	Butatriene	h2cccch2
740	C4H6	Cyclobutene	c822355
741	C4H6	Methylenecyclopropane	c6142730
742	CH2CCHCH3	1,2-Butadiene	butad12
743	CH2CHCHCH2	1,3-Butadiene	c106990
744	CH3CCCH3	2-Butyne	c503173
745	CHCCH2CH3	1-Butyne	c107006
746	CH3CHCHCH2	methylallyl radical	c4h7
747	C4H8	methylcyclopropane	mcp
748	CH2C(CH3)CH3	1-Propene, 2-methyl-	isobute
749	CH3CHCHCH3	2-Butene, (E)-	bute2e
750	CH3CHCHCH3	2-Butene, (Z)-	bute2z
751	B(CH3)3	trimethylborane	bme3
752	Al(CH3)3	trimethyl aluminum	tma
753	C(CH3)3	Tert-butyl radical	tbutyl
754	CH2CH(CH3)2	Isobutyl radical	isobutyl
755	CH3CHCH2CH3	2-Butyl radical	butyl2
756	CH3CH(CH3)CH3	Isobutane	isobutane
757	SiH(CH3)3	trimethylsilane	trimsi
758	Li3N	trilithium nitride	li3n
759	C2N2	Cyanogen	c2n2
760	C2N2+	Cyanogen cation	c2n2+
761	P4	Phosphorus tetramer	p4
762	HCCCN	Cyanoacetylene	hcccn
763	C3H3N	acrylonitrile	ch2chcn
764	C3H3N+	acrylonitrile cation	ch2chcn+
765	CH3N3	methyl azide	ch3n3
766	NH2CCNH2	Diaminoacetylene	daa
767	NH2CH2CN	Aminoacetonitrile	aan
768	CH3NHN2+	methyl azide, protonated	ch3nhn2+
769	CH5N3	Guanidine	guanidine
770	C4H6	Bicyclo[1.1.0]butane	c157335
771	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
772	CH6N3+	guanidinium	ch6n3+
773	C3H7N	Cyclopropylamine	cpram
774	C3H7N	Azetidine	azet
775	C4H8	cyclobutane	cbutane
776	C2H8N2	Ethylenediamine	ethdiam
777	CH3NHNHCH3	dimethyl hydrazine	dmh
778	CH3CH(NH2)CH3	2-Propanamine	pram2
779	N(CH3)3	Trimethylamine	trimeam
780	P(CH3)3	trimethylphosphine	tmp
781	As(CH3)3	trimethyl arsine	tmas
782	(CH3)3NH+	protonated trimethyl amine	ptma
783	C3H7NH3+	n-propylamine, protonated	c3h7nh2
784	Li2O2	dilithium dioxide	li2o2
785	C3O	Tricarbon monoxide	c3o
786	B2O2	Diboron dioxide	b2o2
787	CO3	Carbon trioxide	co3
788	CO3--	carbonate	co3--
789	NO3	Nitrogen trioxide	no3
790	NO3-	nitrate anion	no3-
791	NO3+	nitrogen trioxide cation	no3+
792	SO3-	Sulfur trioxide anion	so3-
793	SO3+	Sulfur trioxide cation	so3+
794	SeO3	selenium trioxide	seo3
795	TeO3	Tellurium trioxide	teo3
796	HCO3-	bicarbonate anion	hco3-
797	HSO3	Hydroxysulfonyl radical	hso3
798	NH2NO2	nitramide	nh2no2
799	C2H2CO	cyclopropenone	c2h2co
800	HCCCHO	2-propynal	hcccho
801	C2H2O2+	Ethanedial cation	c2h2o2+
802	H2CO3	Carbonic acid	h2co3
803	H2CS3	thiocarbonic acid	h2cs3
804	H2NO3+	Nitric Acid, Protonated	h2no3+
805	H2SO3	Sulfurous acid	h2so3
806	CH3COO-	acetate anion	ch3coo-
807	CH3ONO	Methyl nitrite	ch3ono
808	NH2COOH	Carbamic acid	nh2cooh
809	H3BO3	Boric acid	h3bo3
810	H3CO3+	carbonic acid, protonated	h3co3+
811	C3H4O	2-Propyn-1-ol	c107197
812	C3H4O	allenol	c9000071
813	C3H4O	Cyclopropanone	cpone
814	C3H4O	Methylketene	c6004440
815	NH2CONH2	Urea	urea
816	NH2CONH2+	Urea cation	urea+
817	NH2CSNH2	Thiourea	thiourea
818	C2H4O2	1,3-dioxetane	c2h4o2
819	CH3COOH	Acetic acid	ch3cooh
820	CH3OCHO	methyl formate	ch3ocho
821	CHOCH2OH	hydroxy acetaldehyde	haa
822	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
823	NH3COOH+	protonated Carbamic acid	nh3cooh+
824	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
825	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
826	HCOOHH2O	Formic acid water dimer	hcoohh2o
827	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
828	CH3COCH2	Acetonyl radical	ch3coch2
829	CH3CHNOH	Acetaldoxime	acetaldoxime
830	CH3CONH2	Acetamide	acetamide
831	HCONHCH3	N-methylformamide	nmfa
832	CH5N2O+	urea, N-protonated	ch4n2o+
833	H2NCOHNH2+	urea, protonated	ureah+
834	C2H5OO	ethylperoxy radical	c2h5oo
835	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
836	C3H5OH	Cyclopropanol	cproh
837	C3H6O	2-Propen-1-ol	c107186
838	C3H6O	Oxetane	oxetane
839	C3H6O	Propylene oxide	prox
840	CH3COCH3-	acetone anion	ch3coch3-
841	C3H6S	Thietane	thietane
842	C3H6S	Thiirane, methyl-	methiirane
843	CH3CSCH3	Thioacetone	ch3csch3
844	C2H6O2	1,2-Ethanediol	ethdiol
845	CH3OOCH3	dimethylperoxide	dmp
846	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
847	CH3SSCH3	Disulfide, dimethyl	ch3ssch3
848	CH3COHCH3+	acetone, protonated	acetoneh+
849	HOCH2CH2NH2	monoethanolamine	mea
850	CH3CHOHCH3	Isopropyl alcohol	isoproh
851	CH3OC2H5	Ethane, methoxy-	etome
852	C3H7SH	1-Propanethiol	prsh
853	CH3CHSHCH3	2-Propanethiol	isoprsh
854	CH3SCH2CH3	Ethane, (methylthio)-	etsme
855	H2OCH3OCH3	water dimethylether dimer	h2och3och3
856	Na2F2	Sodium Fluoride Dimer	na2f2
857	Na2Cl2	Disodium dichloride	na2cl2
858	C2F2	difluoroacetylene	c2f2
859	C2Cl2	dichloroacetylene	c2cl2
860	C2Cl2+	dichloroacetylene cation	c2cl2+
861	FNO2	Nitryl fluoride	fno2
862	FONO	Nitrosyl hypofluorite	fono
863	ClNO2	Nitryl chloride	clno2
864	ClONO	chlorine nitrite	clono
865	BrONO	Bromine nitrite	brono
866	N2F2	(Z)-Difluorodiazene	n2f2_z
867	N2F2	Dinitrogen difluoride, (E)-	n2f2_e
868	COFCl	Carbonic chloride fluoride	cofcl
869	CCl2O	Phosgene	cl2co
870	Cl2CS	Thiophosgene	cl2cs
871	COBr2	Carbonic dibromide	cobr2
872	BF3-	Borane, trifluoro- anion	bf3-
873	AlF2Cl	Aluminum chloride difluoride	alclf2
874	ScF3	Scandium trifluoride	ScF3
875	AlFCl2	Aluminum dichloride fluoride	alcl2f
876	AlCl3	Aluminum trichloride	alcl3
877	BBr3	Boron tribromide	bbr3
878	AlBr3	Aluminum Bromide	albr3
879	ClO3	Chlorine trioxide	clo3
880	ClO3-	chlorate anion	clo3-
881	BrO3-	Bromate anion	bro3-
882	CF3	Trifluoromethyl radical	cf3
883	CF3-	Trifluoromethyl anion	cf3-
884	CF3+	Trifluoromethyl cation	cf3+
885	SiF3	Silicon trifluoride radical	sif3
886	SiF3+	Silicon trifluoride cation	sif3+
887	CCl3	Trichloromethyl radical	ccl3
888	CCl3-	Trichloromethyl anion	ccl3-
889	CCl3+	Trichloromethyl cation	ccl3+
890	SiCl3	trichlorosilyl radical	sicl3
891	SiCl3+	trichlorosilyl cation	sicl3+
892	FOOF	Perfluoroperoxide	foof
893	F2SO	Thionyl Fluoride	f2so
894	ClOOCl	Dichlorine dioxide	cloocl
895	FSSF	Difluorodisulfane	fssf
896	S2F2	Thio-thionyl fluoride	s2f2
897	SOCl2	thionyl chloride	socl2
898	SeOCl2	selenium oxychloride	seocl2
899	NF3-	Nitrogen trifluoride anion	nf3-
900	NF3+	Nitrogen trifluoride cation	nf3+
901	PF3	Phosphorus trifluoride	pf3
902	AsF3	Arsenic trifluoride	asf3
903	PCl3	Phosphorus trichloride	pcl3
904	SbF3	Antimony Trifluoride	sbf3
905	AsCl3	Arsenous trichloride	ascl3
906	SbCl3	Antimony Trichloride	sbcl3
907	PBr3	Phosphorus tribromide	pbr3
908	AsBr3	Arsenic tribromide	asbr3
909	NI3	Nitrogen triiodide	ni3
910	PI3	Phosphorus triiodide	pi3
911	ClSSCl	Disulfur dichloride	s2cl2
912	SF3	Sulfur trifluoride	sf3
913	ClF3	Chlorine trifluoride	clf3
914	BrF3	Bromine trifluoride	brf3
915	IF3	iodone trifluoride	if3
916	CHF2Cl	difluorochloromethane	chf2cl
917	CHFCl2	fluorodichloromethane	chfcl2
918	CDCl3	trichloromethane-d	cdcl3
919	SiHCl3	Trichlorosilane	sihcl3
920	CHF2I	difluoroiodomethane	chf2i
921	CHFClI	fluorochloroiodomethane	chfcli
922	CHCl2I	dichloroiodomethane	chcl2i
923	CHClBr2	Methane, dibromochloro-	chclbr2
924	CHBr3	bromoform	chbr3
925	CHI3	Iodoform	chi3
926	NF3H+	protonated nitrogen trifluoride	nf3h+
927	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
928	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
929	CH2CF2	Ethene, 1,1-difluoro-	ch2cf2
930	CH2CCl2	Ethene, 1,1-dichloro-	ch2ccl2
931	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
932	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
933	C2H2Br2	1,1-dibromoethene	c2h2br2
934	CH2FCHO	Fluoroacetaldehyde	ch2fcho
935	CH3COF	Acetyl fluoride	ch3cof
936	CH2ClCHO	chloroacetaldehyde	ch2clcho
937	CH3COCl	Acetyl Chloride	ch3cocl
938	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
939	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
940	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
941	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
942	CH2CFCH3	2-fluoropropene	2fpro
943	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
944	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
945	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
946	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
947	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
948	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
949	CH3CH2CH2Br	n-propyl bromide	prbr
950	CH3CHBrCH3	i-propyl bromide	iprbr
951	C3H9O+	trimethyl oxonium cation	c3h9o+
952	C5H5	cyclopentadienyl radical	c5h5
953	C5H5-	cylopentadienyl anion	c5h5-
954	C5H6	1,3-Cyclopentadiene	c542927
955	C5H6	1-Buten-3-yne, 2-methyl-	c78808
956	C5H6	3-Penten-1-yne, (E)-	c2004695
957	C5H6	3-Penten-1-yne, (Z)-	c1574409
958	C5H6	Bicyclo[2.1.0]pent-2-ene	c5164352
959	C5H6	Cyclopropylacetylene	c6746947
960	C5H7	1,3-pentadienyl radical	pdyl
961	C5H7	cyclopentenyl radical	cpyl
962	C5H8	1,2-Butadiene, 3-methyl-	c598254
963	C5H8	1,2-Pentadiene	c591957
964	C5H8	1,3-Butadiene, 2-methyl-	c78795
965	C5H8	1,3-Pentadiene, (E)-	c2004708
966	C5H8	1,3-Pentadiene, (Z)-	c1574410
967	C5H8	1,4-Pentadiene	c591935
968	C5H8	1-pentyne	a1pentyne
969	C5H8	2,3-Pentadiene	c591968
970	C5H8	Cyclobutane, methylene-	c1120565
971	C5H8	Cyclopentene	c142290
972	C5H8	Ethenylcyclopropane	c693867
973	CH3CCCH2CH3	2-Pentyne	2pentyne
974	C5H10	1-Butene, 2-methyl-	c563462
975	C5H10	2-Butene, 2-methyl-	c513359
976	C5H10	2-Pentene, (E)-	c646048
977	C5H10	2-Pentene, (Z)-	c627203
978	C5H10	Cyclopentane	c287923
979	C5H10	Cyclopropane, 1,1-dimethyl-	c1630940
980	CH2CHCH2CH2CH3	1-pentene	pentene
981	C5H11	2-Methylbut-2-yl radical	c4348350
982	C5H12	Butane, 2-methyl-	buta2
983	C5H12	Pentane	pentane
984	C5H12	Propane, 2,2-dimethyl-	neopentane
985	Si(CH3)4	tetramethylsilane	tms
986	N2O3	Dinitrogen trioxide	n2o3
987	C3H2N2	Malononitrile	c3h2n2
988	CH2N4	1H-Tetrazole	1htz
989	C3H3N2	imidazolyl radical	im
990	C3H3N2-	imidizolyl anion	im-
991	C2H3N3	1H-1,2,4-Triazole	c288880
992	C4H4N	pyrrolide radical	c4h4n
993	C4H4N-	pyrrolide anion	c4h4n-
994	C3H4N2	1H-Imidazole	1himidaz
995	C3H4N2	1H-Pyrazole	1hpyraz
996	C3H4N2	4H-Imidazole	imid4h
997	C4H5N	(E)-2-Butenenitrile	c627269
998	C4H5N	(Z)-2-Butenenitrile	c1190767
999	C4H5N	2H-pyrrole	pyrrole2
1000	C4H5N	3H-pyrrole	pyrrole3
1001	C4H5N	Cyclopropanecarbonitrile	c5500210
1002	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1003	C4H6N+	pyrrole, alpha-protonated	appyr
1004	C4H6N+	pyrrole, beta-protonated	bppyr
1005	C4H6N+	pyrrole, protonated	ppyr
1006	C3H6N2	3-Aminopropionitrile	c151188
1007	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1008	CH3CH2CH2CN	Butanenitrile	c109740
1009	C5H8	Bicyclo[2.1.0]pentane	c185944
1010	C5H8	Spiropentane	c157404
1011	C4H9N	Cyclobutylamine	cbam
1012	C4H9N	Pyrrolidine	pyrrolidine
1013	C3H10N2	1,2-Diaminopropane	diampr12
1014	C(CH3)3NH2	2-Propanamine, 2-methyl-	c75649
1015	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	c78819
1016	C(NH2)H2CH2CH2CH3	1-Butanamine	butam1
1017	CH3C(NH2)HCH2CH3	2-Butanamine	butam2
1018	NH(C2H5)2	diethylamine	dea
1019	NC4H12+	tetramethyl ammonium cation	nc4h12+
1020	C3O2+	Carbon suboxide cation	c3o2+
1021	MgCO3	Magnesium Carbonate	mgco3
1022	BeCO3	Beryllium Carbonate	beco3
1023	CaCO3	Calcium Carbonate	caco3
1024	ONONO	Nitrosyl nitrite	onono
1025	PO4---	phosphate	po4---
1026	SO4--	sulfate	so4--
1027	HOONO2	peroxy nitric acid	hoono2
1028	HSO4-	bisulfate anion	hso4-
1029	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1030	C3H2O2	Propiolic acid	c3h2o2
1031	CHOCOOH	oxo acetic acid	oaa
1032	H2SO4	Sulfuric acid	h2so4
1033	H2SeO4	Selenic acid	h2seo4
1034	C3H3NO	Oxazole	oxazole
1035	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1036	CH3NO3	Methyl nitrate	ch3no3
1037	H3PO4	Phosphoric Acid	h3po4
1038	C4H4O+	Furan cation	furan+
1039	C4H4S	Thiophene	furans
1040	C3H4O2	β–Propiolactone	beta
1041	C3H4O2	2-Propenoic acid	propenoic2
1042	C3H4O2	Methyl glyoxal	megly
1043	C3H4O2	propanedial	propanedial
1044	C3H4O2	propenalol	propenalol
1045	HOCHCCHOH	allenediol	aldiol
1046	C2H4O3	1,2,3-trioxolane	c2h4o3
1047	C2H4O3	trioxolane124	triox
1048	HOCH2COOH	Hydroxyacetic acid	hac
1049	CH2CHCONH2	Acrylamide	c79061
1050	CH3OCH2CN	Methoxyacetonitrile	c1738369
1051	CH5N3S	Hydrazinecarbothioamide	c79196
1052	H2NCH2COOH	Glycine	glycine
1053	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1054	C4H6O	cis-2-butenal	butenal2c
1055	C4H6O	Cyclobutanone	cbutone
1056	C4H6O	Furan, 2,3-dihydro-	furan23h
1057	C4H6O	Furan, 2,5-dihydro-	furan25h
1058	CH2CHOCHCH2	Vinyl ether	vinylether
1059	CHOCHCHCH3	2-Butenal	butenal2
1060	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1061	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1062	CH2CHSCHCH2	Divinyl sulfide	divis
1063	C2H6N2O	Urea, methyl-	c598505
1064	C3H6O2	1,3-Dioxolane	dioxolane
1065	CH3CH2COOH	Propanoic Acid	propanoic
1066	CH3COOCH3	methyl acetate	aame
1067	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1068	C3H7NO	dimethylformamide	dmf
1069	C3H7NO	Propanamide	propanam
1070	C2H3OC2H5	Ethene, ethoxy-	c109922
1071	C4H8O	Cyclobutanol	c2919235
1072	C4H8O	Furan, tetrahydro-	thf
1073	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	pre1meo2
1074	CH3COCH2CH3	2-Butanone	buta2one
1075	CHOCH(CH3)CH3	Propanal, 2-methyl-	c78842
1076	CHOCH2CH2CH3	Butanal	butanal
1077	C3H8O2	1,3-Propanediol	c504632
1078	C3H8O2	Hydroperoxide, 1-methylethyl	c3031752
1079	C3H8O2	Methane, dimethoxy-	c109875
1080	C3H8O2	Propylene glycol	c57556
1081	C3H8S2	1,3-Propanedithiol	c109808
1082	C4H10O	1-Butanol	butanol1
1083	C4H10O	1-Propanol, 2-methyl-	c78831
1084	C4H10O	2-Butanol, (.+/-.)-	butanol2
1085	C4H10O	Ethanol, 1,1-dimethyl-	tbuoh
1086	C4H10O	Propane, 2-methoxy-	c598538
1087	C4H10O+	1-Butanol cation	butanol1+
1088	C2H5SC2H5	Diethyl sulfide	etset
1089	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1090	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1091	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1092	FNO3	Fluorine nitrate	fno3
1093	ClONO2	Chlorine nitrate	clono2
1094	BrONO2	Bromine nitrate	brono2
1095	TiCl4	Titanium tetrachloride	ticl4
1096	ClO4-	perchlorate anion	clo4-
1097	BF4-	tetrafluoroboron anion	bf4-
1098	ClFO3	Perchloryl fluoride	clfo3
1099	SO2F2	Sulfuryl fluoride	so2f2
1100	SO2Cl2	Sulfuryl chloride	so2cl2
1101	F3NO	Nitrogen trifluoride oxide	f3no
1102	F3PO	Phosphoryl fluoride	pf3o
1103	Cl3PO	Phosphoryl chloride	pcl3o
1104	CF4	Carbon tetrafluoride	cf4
1105	SiF4	Silicon tetrafluoride	sif4
1106	TiF4	Titanium tetrafluoride	tif4
1107	CFCl3	Trichloromonofluoromethane	cfcl3
1108	CCl4+	Carbon tetrachloride cation	ccl4+
1109	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1110	SiCl4	Silane, tetrachloro-	sicl4
1111	CF3I	trifluoroiodomethane	cf3i
1112	CBrCl3	Methane, bromotrichloro-	cbrcl3
1113	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1114	GeCl4	Germanium Tetrachloride	gecl4
1115	CCl3I	trichloroiodomethane	ccl3i
1116	CFBr3	fluorotribromomethane	cfbr3
1117	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1118	CF2I2	difluorodiiodomethane	cf2i2
1119	CCl2I2	dichlorodiiodomethane	ccl2i2
1120	SiBr4	Silicon tetrabromide	sibr4
1121	CBr3I	tribromoiododmethane	cbr3i
1122	CI4	tetraiodomethane	ci4
1123	SiI4	silicon tetraiodide	sii4
1124	ClOF3	Chlorine trifluoride oxide	clof3
1125	C2HF3	Trifluoroethylene	c2hf3
1126	C2HF3+	Trifluoroethylene cation	c2hf3+
1127	CHClCCl2	Trichloroethylene	chclccl2
1128	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1129	HClO4	perchloric acid	hclo4
1130	HSO3F	Fluorosulfonic acid	hso3f
1131	CF3OH	trifluoromethanol	cf3oh
1132	CHClCCHCl	1,3-dichloroallene	chclcchcl
1133	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1134	CH3CF3	Ethane, 1,1,1-trifluoro-	ch3cf3
1135	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1136	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1137	CH2ClCHCl2	1,1,2-trichloroethane	ch2clchcl2
1138	CH3CCl3	Ethane, 1,1,1-trichloro-	ch3ccl3
1139	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1140	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1141	NH3BCl3	Amminetrichloroboron	nh3bcl3
1142	SiH3CCl3	(trichloromethyl)silane	sih3ccl3
1143	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1144	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1145	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1146	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1147	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1148	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1149	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1150	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1151	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1152	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1153	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1154	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1155	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1156	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1157	C4H9F	1-fluorobutane	butaf1
1158	CH3CHFCH2CH3	2-fluorobutane	butaf2
1159	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1160	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1161	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1162	XeF4	Xenon tetrafluoride	xef4
1163	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1164	NH3BF3	Amminetrifluoroboron	nh3bf3
1165	C6H2	hexatriyne	c6h2
1166	C6H4	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1167	C6H4	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1168	C6H4	Benzyne	benzyne
1169	C6H5	phenyl	phenyl
1170	C6H5-	phenyl anion	phenyl-
1171	C6H6	2,4-Hexadiyne	hexadiyne
1172	C6H6	3,4-Dimethylenecyclobutene	cb34m
1173	C6H6	Hexa-1,5-diene-3-yne	hdy153
1174	C6H6	Trimethylenecycopropane	tmcp
1175	C6H6+	Benzene cation	c6h6+
1176	C6H7+	benzene, protonated	c6h7+
1177	C6H8	(E)-hexa-1,3,5-triene	c821078
1178	C6H8	(E)-hexa-2,3,4-triene	c59660650
1179	C6H8	(Z)-hexa-1,3,5-triene	hexatri135
1180	C6H8	(Z)-hexa-2,3,4-triene	hetr234c
1181	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1182	C6H8	1,4-Cyclohexadiene	cyhexadiene14
1183	C6H8	3-Methylenecyclopentene	c930267
1184	C6H8	Bicyclo[2.1.1]hex-2-ene	c822413
1185	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1186	C6H8	Bicyclo[3.1.0]hex-2-ene	c694019
1187	C6H10	1,3-Hexadiene, (E)-	hexdi13e
1188	C6H10	1,3-Hexadiene, (Z)-	hexdi13z
1189	C6H10	1,4-Hexadiene, (E)-	hexdi14t
1190	C6H10	1,4-Hexadiene, (Z)-	hexdi14z
1191	C6H10	1,5-Hexadiene	c592427
1192	C6H10	1-Butyne, 3,3-dimethyl-	c917920
1193	C6H10	1-Hexyne	hexyne1
1194	C6H10	2,4-Hexadiene, (E,E)-	hexdi24ee
1195	C6H10	2,4-Hexadiene, (E,Z)-	hexdi24ez
1196	C6H10	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1197	C6H10	2-Hexyne	c764352
1198	C6H10	3-Hexyne	hexyne3
1199	C6H10	cyclohexene	cyclohexene
1200	C6H10	Cyclopentene, 1-methyl-	c693890
1201	C6H10	Cyclopentene, 3-methyl-	c1120623
1202	C6H10	Cyclopentene, 4-methyl-	c1759815
1203	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1204	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1205	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1206	C6H12	(E)-2-Hexene	e2hexene
1207	C6H12	(E)-3-methylpent-2-ene	c616126
1208	C6H12	(E)-hex-3-ene	e3hexene
1209	C6H12	(Z)-3-methylpent-2-ene	c922623
1210	C6H12	(Z)-hex-2-ene	z2hexene
1211	C6H12	(Z)-hex-3-ene	z3hexene
1212	C6H12	2,3-dimethylbut-1-ene	c563780
1213	C6H12	2,3-dimethyl-but-2-ene	tmeet
1214	C6H12	3-methylenepentane	c760214
1215	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1216	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1217	C6H12	Cyclohexane	cyclohexane
1218	C6H12	Cyclopentane, methyl-	c96377
1219	C6H12	Ethylcyclobutane	c4806615
1220	C6H12	hex-1-ene	hexene1
1221	C6H14	Butane, 2,2-dimethyl-	buta22
1222	C6H14	Butane, 2,3-dimethyl-	buta23
1223	C6H14	Hexane	hexane
1224	C6H14	Pentane, 2-methyl-	penta2
1225	C6H14	Pentane, 3-methyl-	penta3
1226	C4N2	2-Butynedinitrile	c4n2
1227	C4H2N2	Fumaronitrile	c4h2n2
1228	C2H2N4	sym-tetrazine	ttz
1229	C3H3N3	1,3,5-Triazine	triazine135
1230	CH3N5	5-Aminotetrazole	c4418615
1231	C4H4N2	1,3-Diazine	diazine13
1232	C4H4N2	Pyrazine	pyrazine
1233	C4H4N2	Pyridazine	pyridazine
1234	C4H4N2	Succinonitrile	c110612
1235	C2H4N4	1H-Tetrazole, 1-methyl-	c16681779
1236	C2H4N4	1H-Tetrazole, 5-methyl-	c4076362
1237	C2H4N4	2H-Tetrazole, 2-methyl-	c16681780
1238	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1239	C5H5N	E-2,4-pentadienenitrile	bdcn
1240	C5H5N	Pyridine	pyridine
1241	B3N3H6	borazine	borazine
1242	C6H6	Fulvene	fulvene
1243	C5H6N+	Pyridinium	c5h6n
1244	C4H6N2	1H-Imidazole, 2-methyl-	c693981
1245	C5H7N	(E)-2-Pentenenitrile	c26294984
1246	C5H7N	(E)-3-Pentenenitrile	c16529661
1247	C5H7N	(Z)-2-Pentenenitrile	c25899507
1248	C5H7N	1H-Pyrrole, 1-methyl-	c96548
1249	C5H7N	Cyclobutanecarbonitrile	c4426113
1250	C5H9N	1,2,3,6-Tetrahydropyridine	c694053
1251	C5H9N	Butanenitrile, 2-methyl-	c18936179
1252	C5H9N	Pentanenitrile	c110598
1253	C5H9N	Propanenitrile, 2,2-dimethyl-	c630182
1254	C6H10	Bicyclo[3.1.0]hexane	c285585
1255	C5H11N	Cyclopentanamine	cypentam
1256	C5H11N	Piperidine	piper
1257	C4H12N2	1,2-Butanediamine	c4426486
1258	C4H12N2	2-Methyl-1,2-propanediamine	c811938
1259	Li2CO3	Lithium Carbonate	li2co3
1260	Na2CO3	Sodium Carbonate	na2co3
1261	C2O4--	oxalate anion	c2o4
1262	MgSO4	Magnesium Sulfate	mgso4
1263	C2H2O4	Oxalic Acid	oxalic
1264	C2H3NO3	Oxamic acid	oxamic
1265	C4H4O2	2(5H)-Furanone	furanone
1266	C4H4O2	2-Oxetanone, 4-methylene-	c674828
1267	C2H4N2O2	Oxalamide	oxalamide
1268	C2H4N2S2	Ethanedithioamide	c79403
1269	C2H4CO3	Ethylene carbonate	etco3
1270	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1271	C3H4S3	1,3-Dithiolane-2-thione	c822388
1272	C2H4O4	Formic acid dimer	fadimer
1273	C4H5NO	3-Methylisoxazole	isox3m
1274	C4H5NO	Isoxazole, 5-methyl-	c5765446
1275	C4H5NS	4-Methylthiazole	c693958
1276	C2H5NO3	Nitric acid, ethyl ester	c625581
1277	C5H6O	2-methylfuran	furan2m
1278	C5H6O	3-Methylfuran	furan3m
1279	C5H6S	Thiophene, 2-methyl-	c554143
1280	C5H6S	Thiophene, 3-methyl-	c616444
1281	C4H6O2	2,3-Butanedione	c431038
1282	C4H6O2	2-Propenoic acid, methyl ester	c96333
1283	C4H6O2	Crotonic Acid	crot
1284	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1285	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1286	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1287	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1288	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1289	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1290	C4H6OS	Vinyl sulfoxide	c1115157
1291	CH6N4S	Carbonothioic dihydrazide	thiacarb
1292	C2H6N2O2	(E)-Azodioxymethane	c37765154
1293	C2H6N2O2	Dimethylnitroamine	c4164287
1294	C3H6S3	1,3,5-Trithiane	c3h6s3
1295	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1296	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1297	C4H7NO	2-Pyrrolidinone	c616455
1298	C4H7NO	Ethoxyacetonitrile	etoaccn
1299	C4H7NO	Methacrylamide	c79390
1300	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1301	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1302	C3H7ONO	Propyl nitrite	prono
1303	CH3CH(CH3)ONO	Isopropyl nitrite	c541424
1304	CH3CH(NH2)COOH	Alanine	alanine
1305	CH3NHCH2COOH	Sarcosine	sarcosine
1306	NH2CH2CH2COOH	β–alanine	betaalanine
1307	NH2COOC2H5	Urethane	urethane
1308	C5H8O	2H-Pyran, 3,4-dihydro-	c110872
1309	C5H8O	Cyclopentanone	c120923
1310	C5H8O	Furan, 2,3-dihydro-5-methyl-	c1487156
1311	C5H8O	Methyl cyclopropyl ketone	c765435
1312	N(CH3)2CONH2	Urea, N,N-dimethyl-	c598947
1313	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1314	NH2CONHC2H5	Urea, ethyl-	c625525
1315	C4H8O2	1,3-Dioxane	dioxan13
1316	C4H8O2	1,3-Dioxolane, 2-methyl-	c497267
1317	C4H8O2	1,4-Dioxane	dioxan14
1318	C4H8O2	Ethene, 1,1-dimethoxy-	c922690
1319	C4H8OS	s-Ethyl thioacetate	c625605
1320	C3H8O3	1,2,3-Propanetriol	glycerin
1321	C3H8O2S	(Methylsulfonyl)ethane	c594434
1322	C4H9NO	Butanamide	c541355
1323	C4H9NO	Propanamide, 2-methyl-	c563837
1324	C5H10O	2-Butanone, 3-methyl-	c563804
1325	C5H10O	2H-Pyran, tetrahydro-	c142687
1326	C5H10O	2-methylbutyraldehyde	2meba
1327	C5H10O	2-Pentanone	mpk
1328	C5H10O	Cyclopentanol	c96413
1329	C5H10O	Oxetane, 3,3-dimethyl-	c6921353
1330	C5H10O	Pentanal	pal
1331	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1332	C5H10S	3-Ethylthio-1-propene	c5296628
1333	C5H10S	Cyclopentanethiol	c1679078
1334	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1335	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1336	C4H10O2	1,1-Dimethoxyethane	c534156
1337	C4H10O2	1,3-Butanediol	budiol13
1338	C4H10O2	1,4-Butanediol	budiol14
1339	C4H10O2	Ethane, 1,2-dimethoxy-	c110714
1340	C4H10OS	Diethyl sulfoxide	c70291
1341	C4H10S2	1,4-Butanedithiol	budisl14
1342	C4H11NO	Diethylhydroxylamine	c3710847
1343	C5H12O	1-Butanol, 2-methyl-	c137326
1344	C5H12O	1-Butanol, 3-methyl-	c123513
1345	C5H12O	1-Pentanol	pentanol1
1346	C5H12O	2-Butanol, 3-methyl-	c598754
1347	C5H12O	2-Pentanol	peol2
1348	C5H12O	3-Pentanol	pentan3ol
1349	C5H12O	Butane, 1-methoxy-	meobu
1350	C5H12O	Propane, 1-ethoxy-	proet
1351	C5H12O	Propane, 2-methoxy-2-methyl-	c1634044
1352	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1353	C5H12S	1-Butanethiol, 3-methyl-	c541311
1354	C5H12S	1-Pentanethiol	c110667
1355	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1356	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1357	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1358	C5H12S	Butane, 1-(methylthio)-	c628295
1359	C5H12S	Ethyl propyl sulfide	c4110503
1360	C5H12S	Propane, 2-(ethylthio)-	c5145993
1361	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1362	ClCOClCO	Oxalyl chloride	oxcl
1363	CF3CN	Acetonitrile, trifluoro-	cf3cn
1364	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1365	B2F4	Diboron tetrafluoride	b2f4
1366	B2Cl4	Diboron tetrachloride	b2cl4
1367	C2F4	Tetrafluoroethylene	c2f4
1368	C2F4+	Tetrafluoroethylene cation	c2f4+
1369	CF2CCl2	difluorodichloroethylene	cf2ccl2
1370	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1371	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1372	C2FCl3	fluorotrichloroethene	c2fcl3
1373	C2Cl4	Tetrachloroethylene	c2cl4
1374	CF3OF	Trifluoromethylhypofluorite	cf3of
1375	SOF4	Sulfur tetrafluoride oxide	sof4
1376	AsF5	Arsenic pentafluoride	asf5
1377	PCl5	Phosphorus pentachloride	pcl5
1378	SF5	Sulfur pentafluoride	sf5
1379	SF5+	pentafluoro sulfur cation	sf5+
1380	SbCl5	Antimony pentachloride	sbcl5
1381	BrF5	bromine pentafluoride	brf5
1382	ClF5	chlorinepentafluoride	clf5
1383	IF5	pentafluoroiodine	if5
1384	CF3CHO	trifluoroacetaldehyde	cf3cho
1385	CCl3CHO	trichloroacetaldehyde	ccl3cho
1386	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1387	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1388	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1389	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1390	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1391	CH2ClCCl3	1,1,1,2-tetrachloroethane	ch2clccl3
1392	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1393	CF3COOH	trifluoroacetic acid	cf3cooh
1394	C4H3ClO	Furan, 2-chloro	fur2cl
1395	C4H3ClO	Furan,3-chloro	fur3cl
1396	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1397	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1398	C4H8Cl2	1,4-Dichlorobutane	c110565
1399	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1400	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1401	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1402	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1403	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1404	C5H11Cl	Pentane, 1-chloro-	pencl1
1405	C4H8O2	Butanoic acid	bua
1406	C6H5CH2	benzyl radical	benzyl
1407	C6H5CH3	toluene	toluene
1408	C7H8	cycloheptatriene	cht
1409	C7H8	Norbornadiene	norbor
1410	C7H8	Quadricyclane	qucy
1411	C7H12	Norbornane	nor
1412	C7H14	cycloheptane	c7h14
1413	C7H16	2-methylhexane	2mhex
1414	C7H16	3-methylhexane	hex3m
1415	C7H16	heptane	heptane
1416	C6H7N	2-Methylpyridine	mp
1417	C6H5NH2	aniline	aniline
1418	C6H13N	2-Methylpiperidine	pip2m
1419	C6H13N	cyclohexanamine	cham
1420	C6H15N	triethylamine	tea
1421	N2O5	Dinitrogen pentoxide	n2o5
1422	C4H2O3	Maleic Anhydride	malan
1423	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1424	C6H5O	phenoxy radical	phenoxy
1425	C5H5NO	2(1H)-Pyridinone	c72762006
1426	C5H5NO	2(3H)-Pyridinone	c9000048
1427	C5H5NO	2(5H)-Pyridinone	c9000037
1428	C5H5NO	2-Pyridinol	c109104
1429	C5H5NO	3(2H)-Pyridinone	c9000004
1430	C5H5NO	3(4H)-Pyridinone	c9000026
1431	C5H5NO	3(6H)-Pyridinone	c9000015
1432	C5H5NO	3-Pyridinol	c109002
1433	C5H5NO	4(1H)-Pryidinone	c9000060
1434	C5H5NO	4(3H)-Pryidinone	c9000059
1435	C5H5NO	4-Pyridinol	c626642
1436	C6H5OH	phenol	phenol
1437	C6H6O	2,4-Cyclohexadienone	c24599573
1438	C6H6O	2,5-Cyclohexadienone	c5664335
1439	C6H5SH	Benzenethiol	phsh
1440	HO2CCHNH2CH2OH	Serine	serine
1441	C5H8O2	Acetylacetone	acac
1442	C4H8O2S	Sulfolane	sulfolane
1443	C7H10	Norbornene	norbornene
1444	CH(C2H3)3	trivinyl methane	tvm
1445	C6H10O	cyclohexanone	chexo
1446	C6H12O	hexanal	c6h12o
1447	C3H7OC3H7	di-n-propyl ether	propr
1448	CF3COO-	trifluoro acetate anion	cf3coo-
1449	CF3COF	trifluoroacetyl fluoride	cf3cof
1450	CF3COCl	trifluoroacetyl chloride	cf3cocl
1451	PF6	Hexafluorophosphate neutral	pf6
1452	PF6-	Hexafluorophosphate ion	pf6-
1453	SeF6	Selenium hexafluoride	sef6
1454	SF5Cl	sulfur chloropentafluoride	sf5cl
1455	CF3CHF2	pentafluoroethane	cf3chf2
1456	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1457	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1458	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1459	CCl3CHCl2	pentachloroethane	ccl3chcl2
1460	C6H5F	Fluorobenzene	bzf
1461	C6H5Cl	chlorobenzene	bzcl
1462	C6H5Br	bromobenzene	bzbr
1463	C8H6	Calicene	calicene
1464	C6H5CCH	phenylacetylene	phac
1465	C8H6	benzocyclobutadiene	bcbd
1466	C8H6	Pentalene	pentalene
1467	C6H5CHCH2	Styrene	styrene
1468	C8H8	cyclooctatetraene	cot
1469	C6H5CH2CH3	Ethylbenzene	etbz
1470	CH3C6H4CH3	meta-xylene	mxylene
1471	CH3C6H4CH3	paraxylene	pxylene
1472	C8H14	Bicyclo[2.2.2]octane	bico222
1473	C8H16	cyclooctane	cyclooct
1474	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1475	C8H18	Octane	c8h18
1476	C6H5CN	phenyl cyanide	phcn
1477	C6H12N2	Triethylenediamine	ted
1478	C4O4--	squarate dianion	c4o4--
1479	S8	Octasulfur	s8
1480	C6H4O2	parabenzoquinone	pbq
1481	C4H4N2O2	Uracil	uracil
1482	C6H5OCH3	Anisole	anisole
1483	C5H9NO2	Proline	proline
1484	C6H12O2	Methyl pivalate	c598981
1485	C6H12O2	Hexanoic acid	hexa
1486	C4F4	tetrafluorcyclobutadiene	c4f4
1487	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1488	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1489	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1490	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1491	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1492	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1493	C2F6	hexafluoroethane	c2f6
1494	C2Cl6	hexachloroethane	c2cl6
1495	IF7	Iodine heptafluoride	if7
1496	C6H4F2	metadifluorobenzene	mdfb
1497	C6H4F2	orthodifluorobenzene	odfb
1498	C6H4Cl2	1,2-dichlorobenzene	dcb12
1499	C6H4Cl2	1,3-dichlorobenzene	dcb13
1500	C9H8	Indene	indene
1501	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1502	C9H12	n-propyl benzene	prbz
1503	C9H20	Nonane	nonane
1504	C(CN)4	tetracyanomethane	c5n4
1505	C5H4N4	purine	purine
1506	C8H7N	Indole	indole
1507	C3H3N3O3	cyanuric acid	cyanuric
1508	C6H5NO2	Nitrobenzene	c6h5no2
1509	C6H5COOH	benzoic acid	benzo
1510	CH3COC6H5	acetophenone	acph
1511	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1512	C6H3F3	Benzene trifluoride 123	bzf3a
1513	C10H8	Azulene	azu
1514	C10H8	naphthalene	naph
1515	C10H16	adamantane	adamantane
1516	C6N4	Tetracyanoethylene	tcne
1517	C6N4-	tetracyanoethylene anion	tcne-
1518	C10H22	Decane	decane
1519	C4F6	perfluorobutadiene	c4f6
1520	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1521	C3F8	perfluoropropane	c3f8
1522	Fe(CO)5	Iron pentacarbonyl	ipc
1523	Fe(C5H5)2	ferrocene	fecp2
1524	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1525	C12H8	Acenaphthylene	acenaph
1526	C12H8	biphenylene	biph
1527	C12H10	biphenyl	biphenyl
1528	C12H10	Heptalene	heptalene
1529	C6H12O6	Inositol	inositol
1530	C6F6	hexafluorobenzene	c6f6
1531	S2F10	disulphur decafluoride	s2f10
1532	C14H10	Anthracene	anth
1533	C14H10	Phenanthrene	phenanthrene
1534	C12H10N2	azobenzene	azobenzene
1535	C6H5COC6H5	benzophenone	benzophenone
1536	C16H10	Pyrene	pyrene
1537	C18H12	Tetracene	tetracene
1538	C19H16	Triphenylmethane	tpm
1539	C24H12	Coronene	coronene
1540	C60	Buckminsterfullerene	c60