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
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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.)

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

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count	Species	Name	State	Conformation
1	H	Hydrogen atom	1S	Kh
2	H+	Hydrogen atom cation		Kh
3	D2	Deuterium diatomic	1Σg	D∞h
4	H2	Hydrogen diatomic	1Σg	D∞h
5	H2-	hydrogen diatomic anion	2Σu+	D∞h
6	H2+	Hydrogen cation	2Σg+	D∞h
7	HD	Deuterium hydride	1Σg	D∞h
8	H3+	hydrogen trimer cation	1A1'	D3h
9	He	Helium atom	1S	Kh
10	He2+	helium diatomic cation	2Σu	D∞h
11	Na+	Sodium atom cation	1S	Kh
12	LiH-	lithium hydride anion	2Σ	C∞v
13	LiH+	lithium hydride cation	2Σ	C∞v
14	NaH-	sodium hydride anion	2Σ	C∞v
15	NaH+	sodium hydride cation	2Σ	C∞v
16	BeH-	berylium monohydride anion	1Σ	C∞v
17	BeH+	beryllium monohydride cation	1Σ	C∞v
18	MgH-	magnesium monohydride anion	1Σ	C∞v
19	MgH+	magnesium monohydride cation	1Σ	C∞v
20	B	Boron atom	2P	Kh
21	BH	Boron monohydride	1Σ	C∞v
22	BH-	boron monohydride anion	2Π	C∞v
23	BH+	boron monohydride cation	2Σ	C∞v
24	AlH	aluminum monohydride	1Σ	C∞v
25	BH2	boron dihydride	2A1	C2v
26	BH3	boron trihydride	1A1'	D3h
27	BH4-	borohydride anion	1A1	Td
28	C	Carbon atom	3P0	Kh
29	Si	Silicon atom	3P	Kh
30	CH	Methylidyne	2Π1/2	C∞v
31	CH-	methylidyne anion	3Σ	C∞v
32	CH+	Methylidyne cation	1Σ	C∞v
33	CH2	Methylene	3B1	C2v
34	CH2	Methylene	1A1	C2v
35	CH2-	methylene anion	2B1	C2v
36	CH2+	methylene cation	2A1	C2v
37	SiH2	silicon dihydride	1A1	C2v
38	SiH2	silicon dihydride	3B1	C2v
39	CH3	Methyl radical	2A1	D3h
40	CH3-	methyl anion	1A1	C3v
41	SiH3	Silyl radical	2A1	C3v
42	CH4	Methane	1A1	Td
43	SiH4	Silane	1A1	Td
44	P	Phosphorus atom	4S	Kh
45	NH	Imidogen	3Σ-	C∞v
46	NH	Imidogen	1Σ+	C∞v
47	NH-	Imidogen anion	2Π	C∞v
48	NH+	imidogen cation	2Π	C∞v
49	PH	phosphorus monohydride	1Σ+	C∞v
50	ND2	Amidogen-d2	2B1	C2v
51	NH2	Amino radical	2B1	C2v
52	NH2-	amino anion	1A1	C2v
53	ND3	Ammonia-d3	1A1	C3v
54	NH3	Ammonia	1A1	C3v
55	NH3+	ammonia cation	2A2"	D3h
56	PH3	Phosphine	1A1	C3v
57	NH4+	ammonium cation	1A1	Td
58	PH4+	phosphonium cation
59	O	Oxygen atom	3S	Kh
60	S	Sulfur atom	3P	Kh
61	DO	Hydroxyl-d	2Π	C∞v
62	OH	Hydroxyl radical	2Π	C∞v
63	OH-	hydroxide anion	1Σ	C∞v
64	OH+	hydoxyl cation	3Σ	C∞v
65	OH+	hydoxyl cation	1Σ	C∞v
66	HS	Mercapto radical	2Π	C∞v
67	D2O	Deuterium oxide	1A1	C2v
68	H2O	Water	1A1	C2v
69	H2O-	water anion	2A1	C2v
70	H2O+	water cation	2B1	C2v
71	HDO	Water-d1	1A1	C2v
72	H2S	Hydrogen sulfide	1A1	C2v
73	H2S+	Hydrogen sulfide cation	2B1	C2v
74	H3O+	hydronium cation	1A1	C3v
75	H3S+	Sulfonium cation	1A1	C3v
76	F	Fluorine atom	2P	Kh
77	Cl	Chlorine atom	2P	Kh
78	DF	Hydrofluoric acid-d	1Σ	C∞v
79	HF	Hydrogen fluoride	1Σ	C∞v
80	HF-	hydrogen fluoride anion	2Σ	C∞v
81	HF+	hydrogen fluoride cation	2Π	C∞v
82	HCl	Hydrogen chloride	1Σ	C∞v
83	HCl+	hydrogen chloride cation	2Π	C∞v
84	H2F+	dihydrogen fluoride cation	1A1	C2v
85	H2Cl+	dihydrogen monochloride cation	1A1	C2v
86	NeH+	neon hydrogen cation	1Σ	C∞v
87	Li2-	lithium diatomic anion	2Σu	D∞h
88	NaLi	lithium sodium	1Σ	C∞v
89	NaLi-	lithium sodium anion	2Σ	C∞v
90	NaLi+	lithium sodium cation	2Σ	C∞v
91	Na2-	sodium diatomic anion	2Σu	D∞h
92	Na2+	sodium diatomic cation	2Σg	D∞h
93	Be2-	Beryllium diatomic anion	2Πu	D∞h
94	Be2+	Beryllium diatomic cation	2Σu	D∞h
95	Mg2-	magnesium diatomic anion	2ΠU	D∞h
96	Mg2+	magnesium diatomic cation	2Σu	D∞h
97	B2	Boron diatomic	3Σg	D∞h
98	B2	Boron diatomic	1Σg	D∞h
99	B2	Boron diatomic	5Σu	D∞h
100	B2-	Boron diatomic anion	4Σg	D∞h
101	BAl	Boron Aluminum	3Σ	C∞v
102	B2H6	Diborane	1Ag	D2h
103	BC-	boron monocarbide anion	3Πu	C∞v
104	BC-	boron monocarbide anion	1Σg+	C∞v
105	BC+	boron monocarbide cation	3Σ	C∞v
106	BC+	boron monocarbide cation	1Σ	C∞v
107	AlC	Aluminum carbide	4Σ	C∞v
108	C2	Carbon diatomic	1Σg+	D∞h
109	C2	Carbon diatomic	3Πu	D∞h
110	C2-	carbon diatomic anion	2Σg	D∞h
111	C2+	carbon diatomic cation	2Π	D∞h
112	SiC	silicon monocarbide	3Σ	C∞v
113	SiC	silicon monocarbide	1Σ	C∞v
114	C2H	Ethynyl radical	2Σ	C∞v
115	C2H2	Acetylene	1Σg	D∞h
116	C2H2+	acetylene cation	2Πu	D∞h
117	CCH2	vinylidene	1A1	C2v
118	C2H3	vinyl	2A'	Cs
119	C2H4	Ethylene	1Ag	D2h
120	C2H5	Ethyl radical	2A'	Cs
121	C2H6	Ethane	1A1g	D3d
122	Si2H6	disilane	1Eu	D3d
123	BeN-	Beryllium mononitride anion	1Σ	C∞v
124	BN-	boron nitride anion	2Σ	C∞v
125	BN	boron nitride	3Π	C∞v
126	BN	boron nitride	1Σ	C∞v
127	BN+	boron nitride cation	2Π	C∞v
128	AlN	Aluminum nitride	3Πi	C∞v
129	CN	Cyano radical	2Σ	C∞v
130	CN-	cyanide anion	1Σ	C∞v
131	CN+	Cyano cation	1Σ	C∞v
132	SiP	Silicon monophosphide	2Π	C∞v
133	N2	Nitrogen diatomic	1Σg	D∞h
134	N2-	nitrogen diatomic anion	2Πg	D∞h
135	N2+	diatomic nitrogen cation	2Σg	D∞h
136	P2	Phosphorus diatomic	1Σg	D∞h
137	HNC	hydrogen isocyanide	1Σ	C∞v
138	HCN	Hydrogen cyanide	1Σ	C∞v
139	HCN+	hydrogen cyanide cation	2Π	C∞v
140	NNH	Dinitrogen monohydride	2A'	Cs
141	N2H2	(E)-diazene	1Ag	C2h
142	CH2NH	Methanimine	1A'	Cs
143	CH2PH	Phosphaethene	1A'	Cs
144	CH2NH2+	methyleneamine cation	1A1	C2v
145	N2H4	Hydrazine	1A	C2
146	CH3NH2	methyl amine	1A'	Cs
147	BH3PH3	borane phosphine
148	LiO-	lithium oxide anion	1Σ	C∞v
149	LiO+	lithium oxide cation	3Σ	C∞v
150	LiO+	lithium oxide cation	1Σ	C∞v
151	LiS	Lithium monosulfide	2Π	C∞v
152	NaO-	sodium oxide anion	1Σ	C∞v
153	NaO+	sodium oxide cation	3Σ	C∞v
154	BeO-	Beryllium monoxide anion	2Σ	C∞v
155	BeO+	Beryllium monoxide cation	2Π	C∞v
156	MgO-	magnesium oxide anion	2Σ	C∞v
157	MgO+	magnesium oxide cation	2Π	C∞v
158	CaS	Calcium sulfide	1Σ	C∞v
159	BO	boron monoxide	2Σ	C∞v
160	BO-	boron monoxide anion	1Σ	C∞v
161	BO+	boron monoxide cation	1Σ	C∞v
162	CO	Carbon monoxide	1Σ	C∞v
163	CO-	carbon monoxide anion	2Π	C∞v
164	CO+	carbon monoxide cation	2Σ	C∞v
165	GeO	Germanium monoxide	1Σ	C∞v
166	SiSe	Silicon Monoselenide
167	NO	Nitric oxide	2Π	C∞v
168	NO-	nitric oxide anion	3Σ	C∞v
169	NO-	nitric oxide anion	1Δ	C∞v
170	NO+	nitric oxide cation	1Σ	C∞v
171	PO	Phosphorus monoxide	2Π	C∞v
172	PS	phosphorus sulfide	2Σ	C∞v
173	O2	Oxygen diatomic	3Σg	D∞h
174	O2-	oxygen diatomic anion	2Π	D∞h
175	O2+	diatomic oxygen cation	2Πg	D∞h
176	SO	Sulfur monoxide	3Σ	C∞v
177	SO	Sulfur monoxide	1Σ	C∞v
178	S2	Sulfur diatomic	3Σg	D∞h
179	S2+	sulfur diatomic cation	2Π	D∞h
180	Se2	Selenium diatomic	3Σg	D∞h
181	HBO	Boron hydride oxide	1Σ	C∞v
182	HCO	Formyl radical	2A'	Cs
183	HNO	Nitrosyl hydride	1A'	Cs
184	HO2	Hydroperoxy radical	2A"	Cs
185	HSO+	Sulfur Monoxide, S-protonated
186	SOH	Sulfur Hydroxide
187	SOH+	Sulfur Monoxide, protonated
188	H2CO	Formaldehyde	1A1	C2v
189	H2CO+	formaldehyde cation	2B2	C2v
190	H2CS	Thioformaldehyde	1A1	C2v
191	H2CSe	Selenoformaldehyde
192	H2O2	Hydrogen peroxide	1A	C2
193	H2S2	Disulfane	1A	C2
194	H2S2+	hydrogen disulfide cation	2Bg	C2h
195	CH2OH	Hydroxymethyl radical	2A	C1
196	CH2OH+	hydroxymethyl cation	1A'	Cs
197	CH3O	Methoxy radical	2A'	C1
198	H2CSH+	Thioformaldehyde, protonated	1A'	Cs
199	NH2OH	hydroxylamine	1A'	Cs
200	H2POH	Phosphinous acid	1A1'	CS trans
201	H2POH	Phosphinous acid	1A1'	CS cis
202	H3PO	Phosphine oxide	1A1	C3v
203	CH3OH	Methyl alcohol	1A'	Cs
204	CH3SH	Methanethiol	1A'	Cs
205	CH3SH2+	protonated methylsulfide	1A'	Cs
206	LiCl	lithium chloride	1Σ	C∞v
207	NaF-	sodium fluoride anion	2Σ	C∞v
208	NaF+	sodium fluoride cation	2Σ	C∞v
209	LiF-	lithium fluoride anion	2Σ	C∞v
210	LiF+	lithium fluoride cation	2Π	C∞v
211	BeF-	Beryllium monofluoride anion	1Σ	C∞v
212	BeF+	Beryllium monofluoride cation	1Σ	C∞v
213	MgF-	magnesium fluoride anion	1Σ	C∞v
214	MgF+	magnesium fluoride cation	1Σ	C∞v
215	BF	Boron monofluoride	1Σ	C∞v
216	BF-	Boron monofluoride anion	2Π	C∞v
217	BF+	Boron monofluoride cation	2Σ	C∞v
218	AlCl	Aluminum monochloride	1Σ	C∞v
219	CF	Fluoromethylidyne	2Π	C∞v
220	CF-	carbon monofluoride anion	3Σ	C∞v
221	CF-	carbon monofluoride anion	1Σ	C∞v
222	CF+	carbon monofluoride cation	1Σ	C∞v
223	SiF	silicon monofluoride	2Π	C∞v
224	SiF+	silicon monofluoride cation	1Σ	C∞v
225	NF	nitrogen fluoride	3Σ	C∞v
226	NF	nitrogen fluoride	1Σ	C∞v
227	NF-	nitrogen monofluorine anion	2Π	C∞v
228	NF+	nitrogen monofluoirde cation	2Π	C∞v
229	NCl	nitrogen monochloride	3Σ	C∞v
230	FO	Oxygen monofluoride	2Π	C∞v
231	FO-	flourine oxide anion	1Σ	C∞v
232	FO+	fluorine monoxide cation	3Σ	C∞v
233	ClO	Monochlorine monoxide	2Π	C∞v
234	SF	Monosulfur monofluoride	2Π	C∞v
235	SF+	sulfur monofluoride cation	3Σ	C∞v
236	SCl	sulfur monochloride	2Π	C∞v
237	SCl+	sulfur monochloride cation	3Σg	C∞v
238	SBr	Sulfur monobromide radical
239	F2	Fluorine diatomic	1Σg	D∞h
240	F2-	flourine diatomic anion	2Σu	D∞h
241	F2+	flourine diatomic cation	2Πg	D∞h
242	ClF	Chlorine monofluoride	1Σ+	C∞v
243	Cl2-	chlorine diatomic anion	2Σu	D∞h
244	Cl2+	chlorine diatomic cation	2Πg	D∞h
245	HCF	Fluoromethylene	1A'	Cs
246	HOF	Hypofluorous acid	1A'	Cs
247	CH2Cl	chloromethyl radical	2A'	Cs
248	CH3F	Methyl fluoride	1A1	C3v
249	CH3Cl	Methyl chloride	1A1	C3v
250	SiH3Cl	chlorosilane	1A1	C1
251	C3	carbon trimer	1Σg	D∞h
252	C3H3	Propargyl radical	2B1	Cs
253	CH2CCH2	allene	1A1	D2d
254	CH3CCH	propyne	1A'	C3v
255	C3H6	Cyclopropane	1A1'	D3h
256	CH2CHCH3	Propene	1A'	Cs
257	C3H7	n-Propyl radical	2A"	C1
258	C3H8	Propane	1A1	C2v
259	Si3H8	trisilane
260	HN3	hydrogen azide	1A'	Cs
261	CH2NN	diazomethane	1A1	C2v
262	CH3CN	Acetonitrile	1A1	C3v
263	CH3NC	methyl isocyanide	1A1	C3v
264	NHCHNH2	aminomethanimine	1A	C1
265	C2H5N	Aziridine	1A'	C1
266	CH3CH2NH2	Ethylamine	1A'	Cs
267	CH3NHCH3	Dimethylamine	1A'	Cs
268	Li2O	dilithium oxide	1Σg	D∞h
269	Li2S	dilithium sulfide	1ΣG	D∞h
270	Li2S	dilithium sulfide	1A1	C2v
271	BO2	Boron dioxide	2A'	D∞h
272	N2O	Nitrous oxide	1Σ	C∞v
273	NNS	Nitrogen sulfide	1Σ	C∞v
274	CO2	Carbon dioxide	1Σg	D∞h
275	OCS	Carbonyl sulfide	1Σ	C∞v
276	SiS2	Silicon disulfide	1ΣG	D∞h
277	NO2	Nitrogen dioxide	2A1	C2v
278	NSO	sulfinyl amidogen
279	SNO	Nitrogen oxide sulfide
280	O3	Ozone	1A1	Cs
281	SO2	Sulfur dioxide	1A1	C2v
282	S3	Sulfur trimer
283	S3+	Sulfur trimer cation	2B2	C2v
284	HCCO	ketenyl radical	2A"	Cs
285	HNCO	Isocyanic acid	1A'	Cs
286	HCO2-	formate anion	1A1	C2v
287	HOCO	Hydrocarboxyl radical	1A'	cis
288	HOCO	Hydrocarboxyl radical	1A'	trans
289	HNO2	Nitrous acid	1A'	Cs
290	CH2CO	Ketene	1A1	C2v
291	HCCOH	ethynol	1A'	Cs
292	CH2CS	Thioketene
293	CH2O2	Dioxirane	1A1	C2v
294	HCOOH	Formic acid	1A'	Cs
295	HSSSH	trisulfane	1A	C2
296	HSSSH	trisulfane	1A'	Cs
297	CH3CO	Acetyl radical	2A'	Cs
298	CHONH2	formamide	1A'	Planar
299	CH3OO	methylperoxy radical	2A"	Cs
300	C2H4O	Ethylene oxide	1A1	C2v
301	CH2CHOH	ethenol	1A'	Cs
302	CH3CHO	Acetaldehyde	1A'	Cs
303	C2H4S	Thiirane	1A1	C2v
304	CH3CHS	Thioacetaldehyde	1A'	C1
305	CH3OOH	Methyl peroxide	1A	C1
306	CH3SSH	Hydrogen methyl disulfide
307	CH3CH2OH	Ethanol	1A'	Cs
308	CH3OCH3	Dimethyl ether	1A1	C2v
309	CH3CH2SH	ethanethiol	1A'	Cs
310	FCN	Cyanogen fluoride	1Σ	C∞v
311	FNO	Nitrosyl fluoride	1A'	Cs
312	FNS	Thionitrosyl fluoride	1A'	Cs
313	FSN	Thiazyl fluoride	1A'	Cs
314	OPCl	Phosphorus oxychloride
315	CF2	Difluoromethylene	1A1	D∞h
316	GeCl2	Germanium dichloride	1A1	C2v
317	FOO	Dioxygen monofluoride radical	2A"	Cs
318	OClO	Chlorine dioxide	2B1	D∞h
319	ClSO	Sulfur chloride oxide	2A"	Cs
320	NF2	Difluoroamino radical	2B1	C2v
321	FClO	chlorosyl fluoride	1A'	Cs
322	F2O	Difluorine monoxide	1A1	C2v
323	ClOF	Chlorine hypofluorite	1A'	Cs
324	SF2	sulfur difluoride	1A1	C2v
325	SCl2	Sulfur dichloride	1A1	C2v
326	SeCl2	Selenium Dichloride
327	SBr2	Sulfur dibromide
328	SeBr2	Selenium dibromide
329	HCCF	Fluoroacetylene	1Σ	C∞v
330	HFCO	formyl fluoride	1A'	Cs
331	BHF2	Difluoroborane	1A1	C2v
332	CH2F2	Methane, difluoro-	1A1	C2v
333	CH2Cl2	Methylene chloride	1A1	C2v
334	CH2CHF	Ethene, fluoro-	1A'	Cs
335	C2H5F	fluoroethane	1A'	Cs
336	C4	Carbon tetramer	3Σg	D∞h
337	C4H2	Diacetylene	1Σg	D∞h
338	C2H3CCH	1-Buten-3-yne	1A'	C1
339	H2CCCCH2	Butatriene	1Ag	D2h
340	C4H6	1-Methylcyclopropene	1A	C1
341	C4H6	Cyclobutene	1A1	C2v
342	C4H6	Methylenecyclopropane	1A1	C2v
343	CH2CCHCH3	1,2-Butadiene	1A'	C1
344	CH2CHCHCH2	1,3-Butadiene	1Ag	C2h
345	CH3CCCH3	2-Butyne	1A1'	D3h
346	CH2C(CH3)CH3	1-Propene, 2-methyl-	1A1	C2v
347	CH3CHCHCH3	2-Butene, (E)-	1Ag	C2h
348	CH3CHCHCH3	2-Butene, (Z)-	1A1	C2v
349	C(CH3)3	Tert-butyl radical	2A"	C3v
350	CH2CH(CH3)2	Isobutyl radical	2A'	C1
351	CH3CHCH2CH3	2-Butyl radical	1A	C1
352	CH3CH(CH3)CH3	Isobutane	1A1	C3v
353	CH3CH2CH2CH3	Butane	1Ag	Anti
354	C2N2	Cyanogen	1Σg	D∞h
355	HCCCN	Cyanoacetylene	1Σ	C∞v
356	C3H3N	acrylonitrile	1A'	Cs
357	C4H8	cyclobutane	1A1	D2d
358	C2H8N2	Ethylenediamine	1Ag	C2h
359	CH3CH(NH2)CH3	2-Propanamine	1A'	Cs
360	N(CH3)3	Trimethylamine	1A1	C3v
361	B2O2	Diboron dioxide	1Σg	D∞h
362	S2N2	Disulfur dinitride	1AG	D2h
363	CO3--	carbonate	1A1'	D3h
364	CS3--	Carbonotrithioate
365	NO3	Nitrogen trioxide	2A1'	all bonds equal
366	SO3	Sulfur trioxide	1A1'	D3h
367	S4	Sulfur tetramer
368	S4	Sulfur tetramer
369	S4	Sulfur tetramer
370	HNO3	Nitric acid	1A'	Cs
371	C2H2O2	Ethanedial	1Ag	C2h
372	CH3COO-	acetate anion	1A'	eclipsed
373	CH3NO2	Methane, nitro-	1A'	Cs
374	CH3ONO	Methyl nitrite	1A'	C1
375	H3AlO3	Aluminum hydroxide
376	C3H4O	allenol	1A'	Cs
377	C3H4O	Cyclopropanone	1A1	C2v
378	CH2CHCHO	Acrolein	1A'	Cs
379	NH2CONH2	Urea	1A	C2
380	CH3COOH	Acetic acid	1A'	Cs
381	CHOCH2OH	hydroxy acetaldehyde	1A'	CS H in
382	CH3CHNOH	Acetaldoxime	1A'	CS trans
383	CH3CONH2	Acetamide	1A'	C1
384	CH3CSNH2	Ethanethioamide
385	C3H6O	Propylene oxide	1A	C1
386	CH3CH2CHO	Propanal	1A'	Cs
387	CH3COCH3	Acetone	1A1	C2v
388	C2H6O2	1,2-Ethanediol	1Ag	C2h
389	C3H7OH	1-Propanol	1A'	Cs
390	CH3CHOHCH3	Isopropyl alcohol	1A	C1
391	CH3OC2H5	Ethane, methoxy-	1A'	Cs
392	C2F2	difluoroacetylene	1Σg	D∞h
393	N2F2	(Z)-Difluorodiazene	1A1	C2v
394	N2F2	Dinitrogen difluoride, (E)-	1Ag	C2h
395	CF2O	Carbonic difluoride	1A1	C2v
396	Cl2CS	Thiophosgene	1A1	C2v
397	BF3	Borane, trifluoro-	1A'	D3h
398	AlF3	Aluminum trifluoride	1A1'	D3h
399	CF3	Trifluoromethyl radical	2A1	C3v
400	ClO2F	Chloryl fluoride	1A'	Cs
401	F2SO	Thionyl Fluoride	1A'	Cs
402	FSSF	Difluorodisulfane	1A	C2
403	S2F2	Thio-thionyl fluoride	1A'	Cs
404	SSCl2	Thiothionyl chloride
405	NF3	Nitrogen trifluoride	1A1	C3v
406	SF3	Sulfur trifluoride	2A'	Cs
407	ClF3	Chlorine trifluoride	1A1'	D3h
408	ClF3	Chlorine trifluoride	1A1	C2v
409	HClO3	Chloric Acid	1A	C1
410	CHF3	Methane, trifluoro-	1A1	C3v
411	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	1A1	C2v
412	CH2CF2	Ethene, 1,1-difluoro-	1A1	C2v
413	CH3COF	Acetyl fluoride	1A'	NULL
414	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
415	C5H5-	cylopentadienyl anion	1A1'	D5h
416	C5H6	1,3-Cyclopentadiene	1A1	C2v
417	C5H6	1-Buten-3-yne, 2-methyl-	1A'	Cs
418	C5H6	3-Penten-1-yne, (E)-	1A'	Cs
419	C5H6	3-Penten-1-yne, (Z)-	1A'	Cs
420	C5H6	Bicyclo[2.1.0]pent-2-ene	1A'	Cs
421	C5H6	Cyclopropylacetylene	1A'	C1
422	C5H8	1,3-Pentadiene, (Z)-	1A'	Cs
423	C5H8	1,4-Pentadiene	1A	C2
424	C5H8	Cyclobutane, methylene-	1A'	Cs
425	C5H8	Cyclopentene	1A'	Cs
426	C5H10	1-Butene, 2-methyl-	1A	C1
427	C5H10	2-Butene, 2-methyl-	1A'	Cs
428	C5H10	2-Pentene, (E)-	1A'	Cs
429	C5H10	2-Pentene, (Z)-	1A	C1
430	C5H10	Cyclopentane	1A	C1
431	C5H10	Cyclopropane, 1,1-dimethyl-	1A1	C1
432	CH2CHCH2CH2CH3	1-pentene	1A	C1
433	C5H11	2-Methylbut-2-yl radical	1A	C1
434	C5H12	Butane, 2-methyl-	1A	C1
435	C5H12	Pentane	1A1	C2v
436	C5H12	Propane, 2,2-dimethyl-	1A1	Td
437	N2O3	Dinitrogen trioxide	1A'	Cs
438	C3H2N2	Malononitrile	1A1	Cs
439	C3H4N2	1H-Imidazole	1A'	Cs
440	C3H4N2	1H-Pyrazole	1A'	Cs
441	C4H5N	(E)-2-Butenenitrile	1A'	Cs
442	C4H5N	(Z)-2-Butenenitrile	1A'	Cs
443	C4H5N	Cyclopropanecarbonitrile	1A'	Cs
444	C4H5N	Pyrrole	1A1	C2v
445	C3H6N2	3-Aminopropionitrile	1A'	Cs
446	C5H8	Bicyclo[2.1.0]pentane	1A'	Cs
447	C4H9N	Cyclobutylamine	1A'	Cs
448	C4H9N	Pyrrolidine	1A'	Cs
449	C3H10N2	1,2-Diaminopropane	1A	C1
450	C(CH3)3NH2	2-Propanamine, 2-methyl-	1A	C1
451	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	1A	C1
452	C(NH2)H2CH2CH2CH3	1-Butanamine	1A'	Cs
453	CH3C(NH2)HCH2CH3	2-Butanamine	1A	C1
454	C3O2	Carbon suboxide	1ΣG	D∞h
455	H2SO4	Sulfuric acid	1A	C1
456	C3H3NO	Isoxazole	1A'	Cs
457	CH3NO3	Methyl nitrate	1A'	Cs
458	C4H4O	Furan	1A1	C2
459	C3H4O2	β–Propiolactone	1A'	Cs
460	C3H4O2	2-Propenoic acid	1A'	Cs
461	C3H4O2	propanedial	1A	C1
462	C3H4O2	propenalol	1A'	Cs
463	CH2CHCONH2	Acrylamide	1A	Cs
464	CH3OCH2CN	Methoxyacetonitrile	1A	C1
465	H2NCH2COOH	Glycine	1A'	Cs
466	C4H6O	Cyclobutanone	1A1	C2v
467	C4H6O	Furan, 2,3-dihydro-	1A	C1
468	C4H6O	Furan, 2,5-dihydro-	1A1	Cs
469	CH2CHOCHCH2	Vinyl ether	1A1	C2v
470	CHOCHCHCH3	2-Butenal	1A'	Cs
471	C2H6N2O	Urea, methyl-	1A	C1
472	C3H6O2	1,3-Dioxolane	1A	C1
473	CH3COOCH3	methyl acetate	1A'	Cs
474	C2H6O2S	Dimethyl sulfone	1A1	C2v
475	C3H7NO	Propanamide	1A'	C1
476	C2H3OC2H5	Ethene, ethoxy-	1A	C1
477	C4H8O	Cyclobutanol	1A'	C1
478	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	1A	C1
479	CH3COCH2CH3	2-Butanone	1A	C1
480	CHOCH(CH3)CH3	Propanal, 2-methyl-	1A'	Cs
481	CHOCH2CH2CH3	Butanal	1A'	Cs
482	C3H8O2	1,3-Propanediol	1A1	C1
483	C3H8O2	Hydroperoxide, 1-methylethyl	1A	C1
484	C3H8O2	Methane, dimethoxy-	1A1	C2v
485	C3H8O2	Propylene glycol	1A	C1
486	C4H10O	1-Propanol, 2-methyl-	1A	C1
487	C4H10O	2-Butanol, (.+/-.)-	1A	C1
488	C4H10O	Ethanol, 1,1-dimethyl-	1A'	Cs
489	C4H10O	Ethoxy ethane	1A1	C2v
490	C4H10O	Propane, 2-methoxy-	1A'	Cs
491	FNO3	Fluorine nitrate	1A'	Cs
492	BF4-	tetrafluoroboron anion	1A1	Td
493	F3NO	Nitrogen trifluoride oxide	1A1	C3v
494	CF4	Carbon tetrafluoride	1A1	Td
495	CF2Cl2	difluorodichloromethane	1A1	C2v
496	SF4	Sulfur tetrafluoride	1A1	C2v
497	C2HF3	Trifluoroethylene	1A'	Cs
498	HClO4	perchloric acid	1A	Cs
499	CH3CF3	Ethane, 1,1,1-trifluoro-	1A1	C3v
500	SiH3CCl3	(trichloromethyl)silane	1A1	C3v
501	C6H4	(E)-Hexa-1,5-diyne-3-ene	1Ag	Cs
502	C6H4	(Z)-Hexa-1,5-diyne-3-ene	1A1	C2v
503	C6H5	phenyl	2A1	C2v
504	C6H6	2,4-Hexadiyne	1A1'	D3h
505	C6H8	(E)-hexa-1,3,5-triene	1Ag	Cs
506	C6H8	(E)-hexa-2,3,4-triene	1A'	C2h
507	C6H8	(Z)-hexa-1,3,5-triene	1A1	C2v
508	C6H8	1,4-Cyclohexadiene	1Ag	C2v
509	C6H8	3-Methylenecyclopentene	1A	C1
510	C6H8	Bicyclo[2.1.1]hex-2-ene	1A1	C2v
511	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	1Ag	D2h
512	C6H8	Bicyclo[3.1.0]hex-2-ene	1A	C1
513	C6H10	1,3-Hexadiene, (E)-	1A'	Cs
514	C6H10	1,3-Hexadiene, (Z)-	1A'	Cs
515	C6H10	1,4-Hexadiene, (E)-	1A	C1
516	C6H10	1,4-Hexadiene, (Z)-	1A	C1
517	C6H10	1-Butyne, 3,3-dimethyl-	1A1	C3v
518	C6H10	1-Hexyne	1A'	Cs
519	C6H10	2,4-Hexadiene, (E,E)-	1Ag	C2h
520	C6H10	2,4-Hexadiene, (E,Z)-	1A'	Cs
521	C6H10	2,4-Hexadiene, (Z,Z)-	1A'	Cs
522	C6H10	2-Hexyne	1A'	C1
523	C6H10	3-Hexyne	1A1	C2v
524	C6H10	cyclohexene	1A	C2
525	C6H10	Cyclopentene, 1-methyl-	1A	C1
526	C6H10	Cyclopentene, 3-methyl-	1A	C1
527	C6H10	Cyclopentene, 4-methyl-	1A	C1
528	C6H12	(E)-3-methylpent-2-ene	1A	C1
529	C6H12	(Z)-3-methylpent-2-ene	1A	C1
530	C6H12	3-methylenepentane	1A	C1
531	C6H12	Cyclohexane	1A1g	Chair
532	C6H12	Cyclopentane, methyl-	1A	C1
533	C6H12	Ethylcyclobutane	1A	C1
534	C6H12	hex-1-ene	1A'	Cs
535	C6H14	Butane, 2,2-dimethyl-	1A'	C1
536	C6H14	Butane, 2,3-dimethyl-	1Ag	C2h
537	C6H14	Pentane, 2-methyl-	1A	C1
538	C6H14	Pentane, 3-methyl-	1A'	Cs
539	C4N2	2-Butynedinitrile	1Σg	D∞h
540	C3H3N3	1,3,5-Triazine	1A1'	D3h
541	CH3N5	5-Aminotetrazole	1A	C1
542	C4H4N2	1,3-Diazine	1A1	C2v
543	C4H4N2	Pyrazine	1Ag	D2h
544	C4H4N2	Pyridazine	1A1	C2v
545	C4H4N2	Succinonitrile	1Ag	C2h
546	C2H4N4	1H-Tetrazole, 1-methyl-	1A'	Cs
547	C2H4N4	1H-Tetrazole, 5-methyl-	1A'	C1
548	C2H4N4	2H-Tetrazole, 2-methyl-	1A	C1
549	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	1A'	Cs
550	C5H5N	Pyridine	1A1	C2v
551	C6H6	Fulvene	1A1	C2v
552	C4H6N2	1H-Imidazole, 2-methyl-	1A'	Cs
553	C5H7N	(E)-2-Pentenenitrile	1A'	Cs
554	C5H7N	(E)-3-Pentenenitrile	1A	C1
555	C5H7N	(Z)-2-Pentenenitrile	1A	C1
556	C5H7N	1H-Pyrrole, 1-methyl-	1A	C1
557	C5H7N	Cyclobutanecarbonitrile	1A'	Cs
558	C5H9N	1,2,3,6-Tetrahydropyridine	1A	C1
559	C5H9N	Butanenitrile, 2-methyl-	1A	C1
560	C5H9N	Pentanenitrile	1A'	Cs
561	C5H9N	Propanenitrile, 2,2-dimethyl-	1A1	C1
562	C5H11N	Cyclopentanamine	1A'	Cs
563	C5H11N	Piperidine	1A'	NH equatorial
564	C5H11N	Piperidine	1A'	NH axial
565	C4H12N2	1,2-Butanediamine	1A	C1
566	C4H12N2	2-Methyl-1,2-propanediamine	1A'	C1
567	N2O4	Dinitrogen tetroxide	1Ag	D2d
568	C2H3NO3	Oxamic acid	1A'	H out
569	C4H4O2	2-Oxetanone, 4-methylene-	1A	C1
570	C2H4N2O2	Oxalamide	1Ag	C2h
571	C4H5NO	3-Methylisoxazole	1A	C1
572	C4H5NO	Isoxazole, 5-methyl-	1A	C1
573	C4H6O2	2-Propenoic acid, methyl ester	1A	C1
574	C2H6N2O2	(E)-Azodioxymethane	1Ag	C2h
575	C2H6N2O2	Dimethylnitroamine	1A	C1
576	C3H6O3	1,3,5-Trioxane	1A1	C1
577	C4H7NO	2-Pyrrolidinone	1A	C1
578	C4H7NO	Methacrylamide	1A	C1
579	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	1A'	C1
580	CH3CH(CH3)ONO	Isopropyl nitrite	1A	C1
581	CH3NHCH2COOH	Sarcosine	1A	C1
582	NH2CH2CH2COOH	β–alanine	1A	C1
583	NH2COOC2H5	Urethane	1A	C1
584	C5H8O	2H-Pyran, 3,4-dihydro-	1A	C1
585	C5H8O	Furan, 2,3-dihydro-5-methyl-	1A	C1
586	N(CH3)2CONH2	Urea, N,N-dimethyl-	1A	C1
587	NH2CONHC2H5	Urea, ethyl-	1A	C1
588	C4H8O2	1,3-Dioxolane, 2-methyl-	1A	C1
589	C4H8O2	1,4-Dioxane	1Ag	C2h
590	C4H8O2	Ethene, 1,1-dimethoxy-	1A1	C2v
591	C4H9NO	Butanamide	1A	C1
592	C4H9NO	Propanamide, 2-methyl-	1A	C1
593	C5H10O	2-Butanone, 3-methyl-	1A	C1
594	C5H10O	2H-Pyran, tetrahydro-	1A'	C1
595	C5H10O	2-Pentanone	1A	C1
596	C5H10O	3-Pentanone	1A1	C2v
597	C5H10O	Cyclopentanol	1A	C1
598	C5H10O	Oxetane, 3,3-dimethyl-	1A'	Cs
599	C5H10O	Pentanal	1A'	C1
600	C4H10O2	1,1-Dimethoxyethane	1A'	Cs
601	C4H10O2	1,3-Butanediol	1A	C1
602	C4H10O2	1,4-Butanediol	1Ag	C2h
603	C4H10O2	Ethane, 1,2-dimethoxy-	1Ag	C2h
604	C4H11NO	Diethylhydroxylamine	1A'	Cs
605	C5H12O	1-Butanol, 2-methyl-	1A	C1
606	C5H12O	1-Butanol, 3-methyl-	1A'	Cs
607	C5H12O	1-Pentanol	1A'	Cs
608	C5H12O	2-Butanol, 3-methyl-	1A	C1
609	C5H12O	2-Pentanol	1A	C1
610	C5H12O	3-Pentanol	1A	C1
611	C5H12O	Butane, 1-methoxy-	1A'	Cs
612	C5H12O	Propane, 1-ethoxy-	1A'	Cs
613	C5H12O	Propane, 2-methoxy-2-methyl-	1A'	C1
614	CF3CN	Acetonitrile, trifluoro-	1A1	C3v
615	B2F4	Diboron tetrafluoride	1A1	D2d
616	B2Cl4	Diboron tetrachloride	1A1	D2
617	C2F4	Tetrafluoroethylene	1Ag	D2h
618	CF3OF	Trifluoromethylhypofluorite	1A'	Cs
619	SiF5-	silicon pentafluoride anion
620	SOF4	Sulfur tetrafluoride oxide	1A1	C2v
621	PF5	Phosphorus pentafluoride	1A1'	D3h
622	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
623	C6H5CH2	benzyl radical	2B1	Cs
624	C6H5CH3	toluene	1A'	Cs
625	C7H12	Norbornane	1A1	C2v
626	C7H16	heptane	1A1	C2v
627	C6H5OH	phenol	1A'	Cs
628	C6H10O	cyclohexanone	1A'	Cs
629	PF6-	Hexafluorophosphate ion	1A1G	Oh
630	SF5Cl	sulfur chloropentafluoride	1A1	C4v
631	C6H5F	Fluorobenzene	1A1	C2v
632	C6H5CCH	phenylacetylene	1A1	C2v
633	C6H5CHCH2	Styrene	1A'	Cs
634	C8H8	cubane	1A1G	Oh
635	C8H8	cyclooctatetraene	1A1	D2d
636	C6H5CH2CH3	Ethylbenzene	1A'	Cs
637	C6H5CN	phenyl cyanide	1A1	C2v
638	C6H5CHO	benzaldehyde	1A'	Cs
639	C6H5OCH3	Anisole	1A'	Cs
640	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	1AG	D2h
641	C2F6	hexafluoroethane	1A1g	D3d
642	C6H5NO2	Nitrobenzene	1A1	C2v
643	C6H5COOH	benzoic acid	1A'	Cs
644	C10H16	adamantane	1A1	Td
645	C12H10	biphenyl	1A	D2

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	He-	Helium atom anion	he-
6	He+	Helium atom cation	he+
7	HeH	Helium hydride	heh
8	HeH+	Helium hydride cation	heh+
9	Li	Lithium atom	li
10	Li-	Lithium atom anion	li-
11	Li+	Lithium atom cation	li+
12	Na	Sodium atom	na
13	Na-	Sodium atom anion	na-
14	K	Potassium atom	k
15	K-	Potassium atom anion	k-
16	K+	Potassium atom cation	k+
17	Cu	Copper atom	cu
18	Cu-	Copper atom anion	cu-
19	Cu+	Copper atom cation	cu+
20	LiH	Lithium Hydride	lih
21	NaH	sodium hydride	nah
22	KH	Potassium hydride	kh
23	KH+	Potassium hydrogen cation	kh+
24	CuH	Copper monohydride	cuh
25	Be	Beryllium atom	be
26	Be-	Beryllium atom anion	be-
27	Be+	Beryllium atom cation	be+
28	Mg	Magnesium atom	mg
29	Mg-	Magnesium atom anion	mg-
30	Mg+	Magnesium atom cation	mg+
31	Ca	Calcium atom	ca
32	Ca-	Calcium atom anion	ca-
33	Ca+	Calcium atom cation	ca+
34	Zn	Zinc atom	zn
35	Zn-	Zinc atom anion	zn-
36	Zn+	Zinc atom cation	zn+
37	BeH	beryllium monohydride	beh
38	MgH	magnesium monohydride	mgh
39	CaH	Calcium monohydride	cah
40	CaH+	Calcium monohydride cation	cah+
41	TiH	Titanium monohydride	tih
42	ZnH	Zinc monohydride	znh
43	ZnH+	Zinc, protonated	znh+
44	BeH2	beryllium dihydride	beh2
45	BeH2+	Beryllium dihydride cation	beh2+
46	MgH2	magnesium dihydride	mgh2
47	CaH2	Calcium Hydride	cah2
48	ZnH2	Zinc hydride	znh2
49	B-	Boron atom anion	b-
50	B+	Boron atom cation	b+
51	Al	Aluminum atom	al
52	Al-	Aluminum atom anion	al-
53	Al+	Aluminum atom cation	al+
54	Sc	Scandium atom	sc
55	Sc+	Scandium cation	sc+
56	Ga	Gallium atom	ga
57	Ga-	Gallium atom anion	ga-
58	Ga+	Gallium atom cation	ga+
59	AlH-	aluminum monohydride anion	alh-
60	AlH+	aluminum monohydride cation	alh+
61	ScH	Scandium monohydride	sch
62	ScH+	Scandium monohydride cation	sch+
63	GaH	Gallium monohydride	gah
64	GaH+	Gallium monohydride cation	gah+
65	BH2-	boron dihydride anion	bh2-
66	BH2+	Boron dihydride cation	bh2+
67	AlH2	aluminum dihydride	alh2
68	AlH2-	aluminum dihydride anion	alh2-
69	AlH2+	aluminum dihydride cation	alh2+
70	BH3-	boron trihydride anion	bh3-
71	BH3+	boron trihydride cation	bh3+
72	AlH3	aluminum trihydride	alh3
73	AlH3-	aluminum trihydride anion	alh3-
74	AlH3+	aluminum trihydride cation	alh3+
75	ScH3	Scandium trihydride	sch3
76	GaH3	Gallium trihydride	gah3
77	BH4	borohydride	bh4
78	AlH4-	Aluminum tetrahydride anion	alh4-
79	C-	Carbon atom anion	c-
80	C+	Carbon atom cation	c+
81	Si-	Silicon atom anion	si-
82	Si+	Silicon atom cation	si+
83	Ti	Titanium atom	ti
84	Ti-	Titanium atom anion	ti-
85	Ti+	Titanium atom cation	ti+
86	Ge	Germanium atom	ge
87	Ge-	Germanium anion	ge-
88	Ge+	Germanium cation	ge+
89	Sn	Tin atom	sn
90	Sn+	Tin cation	sn+
91	SiH	Silylidyne	sih
92	SiH-	silicon monohydride anion	sih-
93	SiH+	silicon monohydride cation	sih+
94	GeH	germylidene	geh
95	GeH+	Germaniun monohyrdide cation	geh+
96	SiH2-	silicon dihydride anion	sih2-
97	SiH2+	silicon dihydride cation	sih2+
98	GeH2	germylene	geh2
99	GeH2-	germylene anion	geh2-
100	CH3+	methyl cation	ch3+
101	SiH3-	Silyl anion	sih3-
102	SiH3+	Silyl cation	sih3+
103	GeH3	Germyl radical	geh3
104	GeH3+	germyl cation	geh3+
105	CD4	methane-d4	cd4
106	CH2D2	methane-d2	ch2d2
107	CH3D	methane-d	ch3d
108	CH4-	Methane anion	ch4-
109	CH4+	Methane cation	ch4+
110	CHD3	methane-d3	chd3
111	SiH2D2	silane-d2	sih2d2
112	SiH4+	Silane cation	sih4+
113	GeH4	Germane	geh4
114	SnH4	Stannane	snh4
115	SiH5+	Silane, protonated	sih5+
116	N	Nitrogen atom	n
117	N-	Nitrogen atom anion	n-
118	N+	Nitrogen atom cation	n+
119	P-	Phosphorus atom anion	p-
120	P+	Phosphorus atom cation	p+
121	V	Vanadium atom	v
122	V+	Vanadium atom cation	v+
123	As	Arsenic atomic	as
124	As-	Arsenic anion	as-
125	As+	Arsenic cation	as+
126	Sb	Antimony atom	sb
127	PH	phosphorus monohydride	ph
128	PH-	phosphorus monohydride anion	ph-
129	PH+	phosphorus monohydride cation	ph+
130	AsH	Arsenic monohydride	ash
131	AsH+	Arsenic monohydride cation	ash+
132	SbH	Antimony monohydride	sbh
133	NH2+	Amino cation	nh2+
134	PH2	Phosphino radical	ph2
135	PH2-	Phosphino anion	ph2-
136	PH2+	Phosphino cation	ph2+
137	AsH2	Arsenic dihydride	ash2
138	AsH2+	Arsenic dihydride cation	ash2+
139	NH3-	Ammonia anion	nh3-
140	PH3+	Phosphine cation	ph3+
141	AsH3	Arsine	ash3
142	AsH3+	Arsine cation	ash3+
143	SbH3	Stibine	sbh3
144	AsH4+	Arsonium	ash4+
145	NH4	Ammonium radical	nh4
146	PH4	Phosphoranyl radical	ph4
147	O-	Oxygen atom anion	o-
148	O+	Oxygen atom cation	o+
149	S-	Sulfur atom anion	s-
150	S+	Sulfur atom cation	s+
151	Cr	Chromium atom	cr
152	Se	Selenium atom	se
153	Se-	Selenium atom anion	se-
154	Se+	Selenium atom cation	se+
155	Te	Tellurium atom	te
156	Te+	Tellurium atom cation	te+
157	DS	Mercapto-d	ds
158	HS-	mercapto anion	sh-
159	HS+	sulfur monohydride cation	sh+
160	CrH	Chromium hydride	crh
161	CrH+	Chromium hydride cation	crh+
162	HSe	Selenium monohydride	hse
163	HSe-	selenium monohydride anion	hse-
164	HSe+	selenium monohydride cation	hse+
165	TeH	Telluryl radical	teh
166	D2S	Hydrogen sulfide-d2	d2s
167	H2S-	Hydrogen sulfide anion	h2s-
168	H2Se	Hydrogen selenide	h2se
169	H2Se+	Hydrogen selenide cation	h2se+
170	H2Te	Hydrogen Telluride	h2te
171	H3Se+	Hydrogen Selenide, protonated	h3se+
172	F-	Fluorine atom anion	f-
173	F+	Fluorine atom cation	f+
174	Cl-	Chlorine atom anion	cl-
175	Cl+	Chlorine atom cation	cl+
176	Mn	Manganese atom	mn
177	Br	Bromine atom	br
178	Br-	Bromine atom anion	br-
179	Br+	Bromine atom cation	br+
180	I	Iodine atom	iodine
181	I-	Iodine atom anion	iodine-
182	I+	Iodine atom cation	iodine+
183	DCl	Hydrochloric acid-d	dcl
184	HCl-	hydrogen chloride anion	hcl-
185	HBr	hydrogen bromide	hbr
186	HBr-	hydrogen bromide anion	hbr-
187	HBr+	hydrogen bromide cation	hbr+
188	HI	Hydrogen iodide	hi
189	HI+	Hydrogen iodide cation	hi+
190	H2Br+	protonated hydrogen bromide	h2br+
191	H2I+	Iodonium	h2i+
192	Ne	Neon atom	ne
193	Ne-	Neon atom anion	ne-
194	Ne+	Neon atom cation	ne+
195	Ar	Argon atom	ar
196	Ar-	Argon atom anion	ar-
197	Ar+	Argon atom cation	ar+
198	Fe	Iron atom	fe
199	Kr	Krypton atom	kr
200	Kr+	Krypton cation	kr+
201	Xe	Xenon atom	xe
202	HeLi+	Helium Lithium cation	heli+
203	NeH	neon hydrogen	neh
204	ArH+	Argon hydride cation	arh+
205	KrH+	Protonated Krypton	krh+
206	XeH+	Xenon, protonated	xeh+
207	H2Ar	H2 Ar dimer	h2ar
208	Co	Cobalt atom	cobalt
209	Ni	Nickel atom	ni
210	Li2	Lithium diatomic	li2
211	Li2+	lithium diatomic cation	li2+
212	LiK	Lithium Potassium	lik
213	Na2	Sodium diatomic	na2
214	NaK	Sodium Potassium	nak
215	NaK+	Sodium Potassium diatomic cation	nak+
216	K2	Potassium diatomic	k2
217	Cu2	Copper diatomic	cu2
218	LiBe	Lithium Beryllium	libe
219	LiMg	Lithium magnesium	limg
220	NaBe	Sodium Beryllium	nabe
221	NaMg	Sodium Magnesium	namg
222	Be2	Beryllium diatomic	be2
223	BeMg	Beryllium Magnesium	bemg
224	Mg2	Magnesium diatomic	mg2
225	Ca2	Calcium diatomic	ca2
226	LiB	Lithium boride	lib
227	LiAl	Lithium Aluminum	lial
228	NaAl	Sodium aluminum	naal
229	BeB	Beryllium monoboride	beb
230	B2+	Boron diatomic cation	b2+
231	Al2	Aluminum diatomic	al2
232	Al2-	aluminum diatomic anion	al2-
233	Al2+	aluminum diatomic cation	al2+
234	BGa	Boron Gallium	bga
235	AlGa	Aluminum Gallium	alga
236	Ga2	Gallium diatomic	ga2
237	HBBH	Diborane(2)	hbbh
238	LiBH4	Lithium borohydride	libh4
239	B2H4	Diborane(4) D2d	b2h4
240	HBHHBH	Diborane(4) C2V	hbhhbh
241	B2H6+	Diborane cation	b2h6
242	Al2H6	dialane	al2h6
243	Ga2H6	digallane	ga2h6
244	LiC	Lithium Carbide	lic
245	BeC	Beryllium Carbide	bec
246	CaC	Calcium monocarbide	cac
247	BC	boron monocarbide	bc
248	BSi	Boron silicide	bsi
249	C2+	carbon diatomic cation	c2+
250	SiC-	silicon monocarbide anion	sic-
251	SiC+	silicon monocarbide cation	sic+
252	Si2	Silicon diatomic	si2
253	Si2-	silcon diatomic anion	si2-
254	Si2+	silcon diatomic cation	si2+
255	GeC	Germanium monocarbide	gec
256	SiGe	Silicon Germanium	sige
257	Ge2	Germanium diatomic	ge2
258	C2H-	Ethynyl anion	c2h-
259	C2H+	Ethynyl cation	c2h+
260	ZnCH2	Zinc methylene	znch2
261	H2CC-	vinylidene anion	h2cc-
262	HCCH-	acetylene anion	c2h2-
263	Si2H2	disilyne	si2h2
264	CH3Li	methyl lithium	ch3li
265	CuCH3	monomethyl copper	cuch3
266	ZnCH3	Zinc monomethyl	znch3
267	CH2BH	methyleneborane	ch2bh
268	C2H3-	vinyl anion	c2h3-
269	C2H3+	vinyl cation	c2h3+
270	C2H4-	Ethylene anion	c2h4-
271	C2H4+	Ethylene cation	c2h4+
272	CH3CH	methylmethylene	ch3ch
273	CH2SiH2	silaethylene	ch2sih2
274	Si2H4	Disilene	si2h4
275	CH3BH2	methylborane	ch3bh2
276	C2H5-	Ethyl anion	c2h5-
277	C2H5+	Ethyl cation	c2h5+
278	C2H6+	ethane cation	c2h6+
279	CH3SiH3	methyl silane	ch3sih3
280	GeH3CH3	methyl germane	geh3ch3
281	C2H7+	Ethane, protonated	c2h7+
282	LiN	Lithium Nitride	lin
283	LiN+	Lithium Nitride cation	lin+
284	LiP	Lithium monophosphide	lip
285	BeN	Beryllium mononitride	ben
286	BeN+	Beryllium mononitride cation	ben+
287	MgN	Magnesium Nitride	mgn
288	AlN-	aluminum mononitride anion	aln-
289	AlN+	aluminum mononitride cation	aln+
290	BP	Boron monophosphide	bp
291	AlP	Aluminum monophosphide	alp
292	GaN	Gallium mononitride	gan
293	GaP	Gallium monophosphide	gap
294	GaAs	Gallium arsenide	gaas
295	CP	Carbon monophosphide	cp
296	CP-	carbon monophosphide anion	cp-
297	CP+	carbon monophosphide cation	cp+
298	SiN	Silicon nitride	sin
299	SiN-	silicon mononitride anion	sin-
300	SiN+	silicon mononitride cation	sin+
301	SiP-	Silicon monophosphide anion	sip-
302	SiP+	Silicon monophosphide cation	sip+
303	TiN	Titanium mononitride	tin
304	PN	Phosphorus mononitride	pn
305	PN-	phosphorus nitride anion	pn-
306	PN+	phosphorus nitride cation	pn+
307	P2-	phosphorus diatomic anion	p2-
308	P2+	phosphorus diatomic cation	p2+
309	AsN	Arsenic mononitride	asn
310	AsP	Arsenic monophosphide	asp
311	SbN	Antimony nitride	sbn
312	As2	Arsenic diatomic	as2
313	HNB	hydrogen nitrogen boron	hnb
314	HCN-	Hydrogen cyanide anion	hcn-
315	HNC+	hydrogen isocyanide cation	hnc+
316	HCP	Phosphaethyne	hcp
317	HCP+	Phosphaethyne cation	hcp+
318	NNH+	Dinitrogen monohydride cation	nnh+
319	HPO	Hydrogen phosphorus oxide	hpo
320	HPO+	Hydrogen phosphorus oxide cation	hpo+
321	LiNH2	lithium amide	linh2
322	HBNH	Boranimine	hbnh
323	CNH2	Aminomethylidyne radical	cnh2
324	CNH2+	N-protonated hydrogen isocyanide	cnh2+
325	H2CN	Dihydrogen cyanide radical	h2cn
326	H2CN+	hydrocyanonium cation	h2cn+
327	HCNH	methyleneazane	hcnh
328	HCNH+	N-protonated HCN	hcnh+
329	H2NN	Isodiazene	h2nn
330	N2H2	(Z)-Diazene	n2h2z
331	N2H2+	trans-diazene cation	n2h2+
332	CH2NH+	Methanimine cation	ch2nh+
333	CHNH2	aminomethylene	chnh2
334	CHNH2+	Aminocarbene cation	chnh2+
335	BH2NH2	Boranamine	bh2nh2
336	N2H4+	hydrazine cation	n2h4+
337	P2H4	Diphosphine	p2h4
338	CH3NH2+	methyl amine cation	ch3nh2+
339	CH3PH2	Methyl phosphine	ch3ph2
340	SiH3NH2	Silane, amino	sih3nh2
341	N2H5+	protonated hydrazine	n2h5+
342	BH3NH3	borane ammonia	bh3nh3
343	CH3NH3	methyl ammonium radical	ch3nh3
344	CH3NH3+	protonated methylamine	ch3nh3+
345	CH3PH3+	methyl phosphine, protonated	ch3ph3+
346	NH3NH3	Ammonia Dimer	nh3nh3
347	N2H7+	ammonia ammonium dimer	n2h7+
348	LiO	lithium oxide	lio
349	LiS+	Lithium sulfide cation	lis+
350	NaO	sodium monoxide	nao
351	KO	Potassium monoxide	ko
352	KO+	Potassium monoxide cation	ko+
353	NaS	Sodium sulfide	nas
354	CuO	Copper Monoxide	cuo
355	LiSe	Lithium monoselenide	lise
356	BeO	beryllium oxide	beo
357	BeS	beryllium sulfide	bes
358	MgO	magnesium oxide	mgo
359	CaO	Calcium monoxide	cao
360	MgS	magnesium sulfide	mgs
361	MgS-	magnesium sulfide anion	mgs-
362	MgS+	magnesium sulfide cation	mgs+
363	ZnO	zinc monoxide	zno
364	ZnS	Zinc sulfide	zns
365	BeS-	Beryllium monosulfide anion	bes-
366	BeS+	Beryllium monosulfide cation	bes+
367	AlO	Aluminum monoxide	alo
368	AlO-	Aluminum monoxide anion	alo-
369	AlO+	aluminum monoxide cation	alo+
370	BS	boron sulfide	bs
371	BS-	boron monosulfide anion	bs-
372	BS+	boron monosulfide cation	bs+
373	AlS	Aluminum sulfide	als
374	AlS-	aluminum monosulfide anion	als-
375	AlS+	aluminum monosulfide cation	als+
376	ScO	Scandium monoxide	sco
377	GaO	Gallium monoxide	gao
378	GaS	Gallium monosulfide	gas
379	CS	carbon monosulfide	cs
380	CS-	carbon monosulfide anion	cs-
381	CS+	carbon monosulfide cation	cs+
382	SiO	Silicon monoxide	sio
383	SiO-	silicon monoxide anion	sio-
384	SiO+	silicon monoxide cation	sio+
385	SiS	silicon monosulfide	sis
386	SiS-	silicon monosulfide anion	sis-
387	SiS+	silicon monosulfide cation	sis+
388	TiO	Titanium monoxide	tio
389	CSe	Carbon monoselenide	cse
390	CSe-	Carbon monoselenide anion	cse-
391	CSe+	Carbon monoselenide cation	cse+
392	GeO+	Germanium monoxide cation	geo+
393	GeS	Germanium monosulfide	ges
394	SiSe+	Silicon Monoselenide cation	sise+
395	GeSe	Germanium monoselenide	gese
396	NS	Mononitrogen monosulfide	ns
397	NS-	nitrogen sulfide anion	ns-
398	NS+	nitrogen sulfide cation	ns+
399	PO-	phosphorus monoxide anion	po-
400	PO+	phosphorus monoxide cation	po+
401	PS-	phosphorus monosulfide anion	ps-
402	PS+	phosphorus monosulfide cation	ps+
403	VO	Vanadium monoxide	vo
404	AsO	Arsenic monoxide	aso
405	NSe	Nitrogen monoselenide	nse
406	AsS	Arsenic monosulfide	ass
407	PSe	Phosphorus monoselenide	pse
408	AsSe	Arsenic monoselenide	asse
409	O2--	dioxygen dianion	o2--
410	SO-	sulfur monoxide anion	so-
411	SO+	sulfur monoxide cation	so+
412	S2-	sulfur diatomic anion	s2-
413	SeO	Selenium monoxide	seo
414	SeO-	selenium monoxide anion	seo-
415	SeO+	selenium monoxide cation	seo+
416	SeS	Selenium monosulfide	ses
417	SeS-	selenium monosulfide anion	ses-
418	SeS+	selenium monosulfide cation	ses+
419	TeO	Tellurium monoxide	teo
420	Se2-	selenium diatomic anion	se2-
421	Se2+	selenium diatomic cation	se2+
422	Te2	Tellurium diatomic	te2
423	LiOH	lithium hydroxide	lioh
424	NaOH	sodium hydroxide	naoh
425	KOH	Potassium hydroxide	koh
426	BeOH	beryllium monohydroxide	beoh
427	MgOH	magnesium hydroxide	mgoh
428	CaOH	Calcium monohydroxide	caoh
429	HBS	hydrogen boron sulfide	hbs
430	COH	Hydroxymethylidyne	coh
431	COH+	Carbon Monoxide, protonated	coh+
432	HCO-	formyl anion	hco-
433	HCO+	Formyl cation	hco+
434	HCS	Thioformyl radical	hcs
435	HCS-	Thioformyl anion	hcs-
436	HCS+	Thioformyl cation	hcs+
437	HNO-	Nitrosyl hydride anion	hno-
438	HNO+	Nitrosyl hydride cation	hno+
439	NOH	Hydroxyimidogen	noh
440	NOH+	O-protonated nitric oxide	noh+
441	HNS	Sulfur imide	hns
442	HNS-	Sulfur imide anion	hns-
443	HO2-	Hydroperoxy anion	ho2-
444	HO2+	Hydroperoxy cation	ho2+
445	HS2	Thiosulfeno radical	hs2
446	H2CO-	formaldehyde anion	h2co-
447	HOCH	hydroxycarbene	hoch
448	H2CS-	thioformaldehyde anion	h2cs-
449	H2CS+	thioformaldehyde cation	h2cs+
450	H2NO	nitroxide	h2no
451	H2O2+	Hydrogen peroxide cation	h2o2+
452	H2OO	water oxide	h2oo
453	HOSH	hydrogen thioperoxide	hosh
454	H2Se2	hydrogen diselenide	h2se2
455	CH3O-	methoxy anion	ch3o-
456	CH3O+	Methoxy cation	ch3o+
457	CH3S	thiomethoxy	ch3s
458	NH2OH+	Hydroxylamine cation	nh2oh+
459	NH3O	Ammonia Oxide	nh3o
460	NH2SH	Thiohydroxylamine	nh2sh
461	NH3S	sulfidoazane	nh3s
462	H3O2+	hydrogen peroxide, protonated	h3o2+
463	CH3OH-	Methyl alcohol anion	ch3oh-
464	CH3OH+	Methyl alcohol cation	ch3oh+
465	CH3SH+	Methanethiol cation	ch3sh+
466	SiH3OH	silanol	sih3oh
467	CH3SeH	Methane selenol	ch3seh
468	NH2OH2+	protonated hydroxylamine	nh2oh2+
469	NH3OH+	N-protonated hydroxylamine	nh3oh+
470	H2OH2O	water dimer	h2oh2o
471	CH3OH2+	Methanol, protonated	ch3oh2+
472	H2ONH3	Water Ammonia Dimer	h2onh3
473	H5O2+	Dihydroxonium ion	h5o2+
474	LiF	lithium fluoride	lif
475	LiCl-	lithium chloride anion	licl-
476	LiCl+	lithium chloride cation	licl+
477	NaF	sodium fluoride	naf
478	KF	Potassium Fluoride	kf
479	NaCl	Sodium Chloride	nacl
480	NaCl-	sodium chloride anion	nacl-
481	NaCl+	sodium chloride cation	nacl+
482	KCl	Potassium Chloride	kcl
483	CuF	Copper monofluoride	cuf
484	LiBr	Lithium Bromide	libr
485	LiBr-	lithium bromide anion	libr-
486	LiBr+	lithium bromide cation	libr+
487	CuCl	Copper monochloride	cucl
488	NaBr	Sodium Bromide	nabr
489	NaBr-	sodium bromide anion	nabr-
490	NaBr+	sodium bromide cation	nabr+
491	KBr	Potassium Bromide	kbr
492	LiI	Lithium Iodide	lii
493	NaI	Sodium Iodide	nai
494	KI	Potassium Iodide	ki
495	BeF	Beryllium monofluoride	bef
496	BeCl	beryllium monochloride	becl
497	MgF	Magnesium monofluoride	mgf
498	CaF	Calcium monofluoride	caf
499	MgCl	magnesium monochloride	mgcl
500	MgCl-	magnesium monochloride anion	mgcl-
501	MgCl+	magnesium monochloride cation	mgcl+
502	CaCl	calcium monochloride	cacl
503	TiCl	Titanium Monochloride	ticl
504	ZnF	Zinc monofluoride	znf
505	ZnF-	Zinc monofluoride anion	znf-
506	ZnF+	Zinc monofluoride cation	znf+
507	ZnCl	Zinc monochloride	zncl
508	CaBr	Calcium monobromide	cabr
509	BeCl-	beryllium monochloride anion	becl-
510	BeCl+	beryllium monochloride cation	becl+
511	AlF	Aluminum monofluoride	alf
512	AlF-	Aluminum monofluoride anion	alf-
513	AlF+	Aluminum monofluoride cation	alf+
514	BCl	boron monochloride	bcl
515	BCl-	boron monochloride anion	bcl-
516	BCl+	boron monochloride cation	bcl+
517	AlCl-	aluminum monochloride anion	alcl-
518	AlCl+	aluminum monochloride cation	alcl+
519	ScF	Scandium monofluoride	scf
520	BBr	Boron monobromide	bbr
521	GaF	Gallium monofluoride	gaf
522	GaF+	Gallium monofluoride cation	gaf+
523	AlBr	Aluminum monobromide	albr
524	GaCl	Gallium monochloride	gacl
525	GaCl+	Gallium monochloride cation	gacl+
526	AlI	Aluminum monoiodide	ali
527	GaBr	Gallium monobromide	gabr
528	CCl	carbon monochloride	ccl
529	CCl-	carbon monochloride anion	ccl-
530	CCl+	carbon monochloride cation	ccl+
531	SiF-	silicon monofluoride anion	sif-
532	SiCl	Clorosilylidyne	sicl
533	SiCl-	silicon monochloride anion	sicl-
534	SiCl+	silicon monochloride cation	sicl+
535	CBr	Carbon monobromide	cbr
536	GeF	Germanium monofluoride	gef
537	GeF+	Germanium monofluoride cation	gef+
538	GeCl	Germanium monochloride	gecl
539	GeCl+	Germanium monochloride cation	gecl+
540	SiBr	Silicon monobromide	sibr
541	SiBr+	Silicon monobromide cation	sibr+
542	NCl-	nitrogen monochloride anion	ncl-
543	NCl+	nitrogen monochloride cation	ncl+
544	PF	phosphorus monofluoride	pf
545	PF-	phosphorus monofluoride anion	pf-
546	PF+	phosphorus monofluoride cation	pf+
547	PCl	phosphorus chloride	pcl
548	PCl-	phosphorus monochloride anion	pcl-
549	PCl+	phosphorus monochloride cation	pcl+
550	AsF	Arsenic monofluoride	asf
551	NBr	nitrogen monobromide	nbr
552	AsCl	Arsenic monochloride	ascl
553	PBr	Phosphorus monobromide	pbr
554	SbF	Antimony monofluoride	sbf
555	SbCl	Antimony monochloride	sbcl
556	ClO-	chlorine monoxide anion	clo-
557	ClO+	chlorine monoxide cation	clo+
558	SF-	sulfur monofluoride anion	sf-
559	SCl-	sulfur monochloride anion	scl-
560	BrO	Bromine monoxide	bro
561	BrO-	Bromine monoxide anion	bro-
562	BrO+	Bromine monoxide cation	bro+
563	SeF	Selenium monofluoride	sef
564	SBr+	Sulfur monobromide cation	sbr+
565	SeCl	Selenium monochloride	secl
566	IO	Iodine monoxide	io
567	SeBr	Selenium monobromide	sebr
568	BrCl	Bromine monochloride	brcl
569	ClF-	clorine monofluoride anion	clf-
570	ClF+	clorine monofluoride cation	clf+
571	Cl2	Chlorine diatomic	cl2
572	BrF	Bromine monofluoride	brf
573	BrF-	bromine fluoride anion	brf-
574	BrF+	bromine fluoride cation	brf+
575	BrCl-	bromine chloride anion	brcl-
576	BrCl+	bromine chloride cation	brcl+
577	IF	Iodine monofluoride	if
578	Br2	Bromine diatomic	br2
579	Br2-	bromine diatomic anion	br2-
580	Br2+	bromine diatomic cation	br2+
581	ICl	Iodine monochloride	icl
582	IBr	Iodine monobromide	ibr
583	I2	Iodine diatomic	i2
584	I2+	Iodine diatomic cation	i2+
585	HCCl	Chloromethylene	hccl
586	HSiF	fluorosilylene	hsif
587	HSiCl	Chlorosilylene	hsicl
588	HSiBr	monobromosilylene	hsibr
589	CHBr	bromomethylene	chbr
590	DOCl	Hypochlorous acid-d	docl
591	HOCl	hypochlorous acid	hocl
592	HOCl+	hypochlorous acid cation	hocl+
593	HOBr	Hypobromous acid	hobr
594	HOBr+	Hypobromous acid cation	hobr+
595	HOI	Hypoiodous acid	hoi
596	F2H+	Fluorine, protonated	f2h+
597	FHF	Hydrogen difluoride	fhf
598	FHF-	Hydrogen difluoride anion	fhf-
599	ClFH+	Chlorine fluoride, F-protonated	clfh+
600	FClH+	Chlorine fluoride, Cl-protonated	fclh+
601	Cl2H+	Chlorine, protonated	cl2h+
602	CH2Br	bromomethyl radical	ch2br
603	CH2F	fluoromethyl radical	ch2f
604	CH2F+	fluoromethyl cation	ch2f+
605	CH2Cl+	chloromethyl cation	ch2cl+
606	NH2F	monofluoroamine	nh2f
607	NH2Cl	chloramine	nh2cl
608	H2F2	Hydrogen fluoride dimer	h2f2
609	CH3F+	methyl fluoride cation	ch3f+
610	CD3F	methylfluoride-d3	cd3f
611	CD3Cl	methyl chloride d3	cd3cl
612	CH3Cl+	Methyl chloride cation	ch3cl+
613	SiH3F	monofluorosilane	sih3f
614	CH3Br	methyl bromide	ch3br
615	GeH3F	monofluorogermane	geh3f
616	GeH3Cl	monochlorogermane	geh3cl
617	SiH3Br	bromosilane	sih3br
618	CH3I	methyl iodide	ch3i
619	SiH3I	Silyl Iodide	sih3i
620	NH3Cl+	protonated monochloroammonia	nh3cl+
621	CH3ClH+	methyl chloride, protonated	ch3clh+
622	NH4Cl	Ammonium chloride	nh4cl
623	LiNe+	Lithium Neon cation	line+
624	Ne2	Neon diatomic	ne2
625	Ne2+	Neon diatomic cation	ne2+
626	Ar2	Argon diatomic	ar2
627	Ar2+	Argon diatomic cation	ar2+
628	Li3	Lithium trimer	li3
629	Li3+	Lithium trimer cation	li3+
630	C3+	carbon trimer cation	c3+
631	SiC2	Silicon dicarbide	sic2
632	C3H3	cyclopropenyl radical	cpr
633	C3H3-	Propargyl anion	c3h3-
634	C3H3+	cyclopropenyl cation	cpr+
635	C3H3+	Propargyl cation	c3h3+
636	C3H4	cyclopropene	cprop
637	C3H5	Allyl radical	allyl
638	C3H5+	Allyl cation	allyl+
639	CH3CHCH	1-propenyl radical	ch3chch
640	Zn(CH3)2	dimethyl zinc	dmz
641	C3H7+	cyclopropane, protonated	c3h7+
642	CH3CHCH3	Isopropyl radical	isopropyl
643	CH3CHCH3+	Isopropyl cation	prop2yl+
644	SiH2(CH3)2	dimethylsilane	dms
645	LiCN	lithium cyanide	licn
646	NaCN	Sodium Cyanide	nacn
647	KCN	Potassium cyanide	kcn
648	CuCN	Copper cyanide	cucn
649	ZnCN	Zinc monocyanide	zncn
650	ZnNC	Zinc isocyanide	znnc
651	AlCN	Aluminum monocyanide	alcn
652	AlNC	Aluminum isocyanide	alnc
653	CN2	3H-Diazirin-3-ylidene	cn2
654	CNN	Diazocarbene	cnn
655	NCN	Cyanoimidogen	ncn
656	N3	azide radical	n3
657	N3-	azide anion	n3-
658	N3+	azide cation	n3+
659	HCCN	cyanomethylene	hccn
660	HCNN	diazomethyl radical	hcnn
661	HN3+	Hydrazoic acid cation	hn3+
662	HNCNH	diiminomethane	hncnh
663	CH2N2	diazirine	ch2n2
664	NH2CN	cyanamide	cyanamide
665	HNNNH+	1,2-Triazadienium	n2h3+
666	NH2NN+	hydrazoic acid, protonated	nh2nn+
667	CH3CN-	acetonitrile anion	ch3cn-
668	CH3CN+	Acetonitrile cation	ch3cn+
669	CHNCH2	2H-Azirine	c157164
670	CHNHCH	1H-Azirine	chnhch
671	H2CCNH	Ethenimine	ch2cnh
672	H2CNCH	methyleneaminomethylene	ch2nch
673	HCCNH2	Ethynamine	hccnh2
674	HCNCH2+	2H-Azirine cation	hcnch2+
675	HNCNH2+	diiminomethane, protonated	hncnh2+
676	NCNH3+	Cyanamide, protonated	ncnh3+
677	NH2CNH+	cyanamide, cn protonated	nh2cnh+
678	NH3CN+	cyanamide, amine protonated	nh3cn+
679	CH2CHNH	vinylazine	ch2chnh
680	CH3CHN	methylmethaniminyl radical	ch3chn
681	CH2CHNH2	aminoethene	aminoethene
682	CH2NCH3	N-methylmethanimine	nmm
683	CH3CHNH	ethanimine	ethanimine
684	NH2BHNH2	diaminoborane	nh2bhnh2
685	C2H5NH+	Protonated Aziridine	c2h5nh+
686	C2H6N+	aziridine, protonated	c2h6n+
687	NH2CH2NH2	diaminomethane	nh2ch2nh2
688	CH3PHCH3	dimethylphosphine	ch3phch3
689	NH2CH2NH3+	diaminoethane, protonated	pdam
690	(CH3)2NH2+	dimethylammonium cation	dmam
691	CH3CH2NH3+	ethylamine, protonated	pea
692	Li2O+	dilithium oxide cation	li2o+
693	Na2O	disodium monoxide	na2o
694	Na2S	Sodium sulfide	na2s
695	LiO2	Lithium dioxide	lio2
696	NaO2	Sodium superoxide	nao2
697	CCO	Dicarbon monoxide	cco
698	CNO-	fulminate	cno-
699	NCO	isocyanato radical	nco
700	NCO-	cyanate	nco-
701	SCN	thiocyanato radical	scn
702	SCN-	thiocyanide anion	scn-
703	BO2-	Boron dioxide anion	bo2-
704	BO2+	Boron dioxide cation	bo2+
705	N2O-	Nitrous oxide anion	n2o-
706	N2O+	Nitrous oxide cation	n2o+
707	PPO	Phosphorus oxide phosphide	ppo
708	CO2-	Carbon dioxide anion	co2-
709	CO2+	Carbon dioxide cation	co2+
710	OCS+	Carbonyl sulfide cation	cos+
711	SiO2	silicon dioxide	sio2
712	CS2	Carbon disulfide	cs2
713	CS2-	Carbon disulfide anion	cs2-
714	CS2+	Carbon disulfide cation	cs2+
715	TiO2	Titanium dioxide	tio2
716	GeO2	Germanium dioxide	geo2
717	OCSe	Carbonyl selenide	ocse
718	SCSe	Carbon sulfide selenide	scse
719	GeS2	Germanium disulfide	ges2
720	CSe2	Carbon diselenide	cse2
721	SCTe	Carbon sulfide Telluride	scte
722	NO2-	Nitrogen dioxide anion	no2-
723	NO2+	Nitrogen dioxide cation	no2+
724	PO2	Phosphorus dioxide	po2
725	PO2-	Phosphorus dioxide anion	po2-
726	PO2+	Phosphorus dioxide cation	po2+
727	AsO2	Aresenic dioxide	aso2
728	O3-	Ozone anion	o3-
729	O3+	Ozone cation	o3+
730	SO2-	Sulfur dioxide anion	so2-
731	SO2+	Sulfur dioxide cation	so2+
732	SSO	Disulfur monoxide	sso
733	S3-	Sulfur trimer anion	s3-
734	SeO2	Selenium dioxide	seo2
735	SeO2+	Selenium dioxide cation	seo2+
736	TeO2	Tellurium Dioxide	teo2
737	CS2H+	Carbon disulfide, protonated	cs2h+
738	HCNO	fulminic acid	hcno
739	HOCN	cyanic acid	hocn
740	HNCS	Isothiocyanic acid	hncs
741	HSCN	thiocyanic acid	hscn
742	HNNO	nitrosoazane	hnno
743	HNNO+	Nitrous oxide, N-protonated	hnno+
744	NNOH+	Nitrous Oxide, O-protonated	nnoh+
745	HCOO	formate neutral radical	hcoo
746	HOCO+	Hydrocarboxyl cation	hoco+
747	HNO2+	nitrous acid cation	hno2+
748	O3H+	protonated ozone	o3h+
749	SO2H+	protonated sulfur dioxide	so2h+
750	C2H2O	Oxirene	oxirene
751	CH2CO+	Ketene cation	ch2co+
752	Be(OH)2	Beryllium hydroxide	beo2h2
753	Mg(OH)2	Magnesium dihydroxide	h2mgo2
754	NH2NO	Nitrosamide	nh2no
755	H2COO	Dioxymethyl radical	h2coo
756	H2COO+	dioxymethyl cation	h2coo+
757	H2O3	Hydrogen trioxide	h2o3
758	NaOCH3	Sodium methoxide	naoch3
759	CH2BOH	hydroxy(methylene)borane	ch2boh
760	BH3CO	Borane carbonyl	bh3co
761	CH3BO	Borane, methyloxo-	ch3bo
762	CH2CHO	Vinyloxy radical	ch2cho
763	CH2COH+	ketene, protonated	ch2coh+
764	CH3CO-	Acetyl anion	ch3co-
765	CH3CO+	acetyl cation	ch3co+
766	CH2NOH	formaldoxime	ch2noh
767	CH3NO	nitrosomethane	ch3no
768	CNOH3	1,2-oxaziridine	cnoh3
769	HOCHNH	hydroxymethylimine	hochnh
770	CHSNH2	thioformamide	chsnh2
771	NHCHSH	Methanimidothioic acid	nhchsh
772	CH2OOH	CH2OOH radical	ch2ooh
773	CH3OO-	methylperoxy anion	ch3oo-
774	CH3OO+	methylperoxy cation	ch3oo+
775	C2H4O+	ethylene oxide cation	c2h4o+
776	CH3CHO+	acetaldehyde cation	ch3cho+
777	H2COCH2+	Methyl, (methyleneoxoniumyl)-	h2coch2+
778	CH2CHSH	Ethenethiol	ch2chsh
779	H2CONH2+	protonated formamide	h2conh2+
780	NH2CHOH+	Formamide, O-protonated	nh2choh+
781	NH3CHO+	Formamide, N-Protonated	nh3cho+
782	CH2(OH)2	methanediol	ch2o2h2
783	HSCH2SH	Methanedithiol	ch4s2
784	H2OH2CO	water formaldehyde dimer	h2oh2co
785	C2H4OH+	ethylene oxide, protonated	c2h4oh+
786	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
787	CH3CH2O	Ethoxy radical	ethoxy
788	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
789	CH3CHOH+	acetaldehyde, protonated	ch3choh+
790	CH3OCH2	methoxymethyl radical	ch3och2
791	NH2CH2OH	aminomethanol	nh2ch2oh
792	CH3SCH3	Dimethyl sulfide	mesme
793	CH3SCH3+	dimethyl sulfide cation	mesme+
794	CH3SeCH3	dimethylselenide	dmse
795	CH3OHH2O	methanol water dimer	ch3ohh2o
796	H2OCH3OH	water methanol dimer	h2och3oh
797	CuF2	Copper difluoride	cuf2
798	ZnF2	Zinc difluoride	znf2
799	CNF	iso cyanogen fluoride	cnf
800	ClCN	chlorocyanogen	clcn
801	BrCN	Cyanogen bromide	brcn
802	ICN	Cyanogen iodide	icn
803	FBO	Boron monofluoride monoxide	fbo
804	BeF2	Beryllium fluoride	bef2
805	MgF2	Magnesium fluoride	mgf2
806	BeCl2	Beryllium chloride	becl2
807	MgCl2	Magnesium dichloride	mgcl2
808	CaCl2	Calcium Chloride	cacl2
809	ZnCl2	Zinc dichloride	zncl2
810	BeBr2	Beryllium bromide	bebr2
811	CaBr2	Calcium dibromide	cabr2
812	CaF2	Calcium difluoride	caf2
813	FCO	Carbonyl fluoride	fco
814	FCO+	Carbonyl fluoride cation	fco+
815	ClCO	carbonyl monochloride	clco
816	BF2	Boron difluoride radical	bf2
817	ClNO	Nitrosyl chloride	clno
818	BrNO	Nitrosyl bromide	brno
819	INO	Nitrosyl iodide	ino
820	CF2-	Difluoromethylene anion	cf2-
821	CF2+	Difluoromethylene cation	cf2+
822	CFCl	chlorofluoromethylene	cfcl
823	SiF2	Silicon difluoride	sif2
824	SiF2+	Silicon difluoride cation	sif2+
825	CCl2	dichloromethylene	ccl2
826	CCl2-	dichloromethylene anion	ccl2-
827	CCl2+	dichloromethylene cation	ccl2+
828	SiCl2	Dichlorosilylene	sicl2
829	GeF2	Germanium difluoride	gef2
830	CBr2	dibromomethylene	cbr2
831	FOO+	Fluorine dioxide cation	foo+
832	ClOO	chloroperoxy radical	cloo
833	ClOO+	chloroperoxy cation	cloo+
834	OClO-	Chlorine dioxide anion	oclo-
835	OClO+	Chlorine dioxide cation	oclo+
836	ClS2	Sulfur chloride	cls2
837	BrOO	Bromine dioxide	broo
838	OBrO	Bromine dioxide radical	obro
839	NF2+	Difluoroamino cation	nf2+
840	PF2	Phosphorus difluoride	pf2
841	PF2+	Phosphorus difluoride cation	pf2+
842	SF2-	sulfur difluoride anion	sf2-
843	SF2+	sulfur difluoride cation	sf2+
844	Cl2O	Dichlorine monoxide	cl2o
845	SeF2	Selenium difluoride	sef2
846	BrOCl	Bromine hypochlorite	brocl
847	BrOBr	Bromine oxide	brobr
848	F3-	trifluoride anion	f3-
849	Cl3-	trichloride anion	cl3-
850	Br3-	tribromide anion	br3-
851	I3-	triiodide	i3-
852	SFCl	Sulfur chloride fluoride	sfcl
853	HCCF+	fluoroacetylene cation	hccf+
854	HCCCl	Chloroacetylene	hcccl
855	HCCBr	bromoacetylene	hccbr
856	HFCO+	formyl fluoride cation	hfco+
857	COHCl	Formyl chloride	cohcl
858	COHBr	Formyl bromide	cohbr
859	BHCl2	Borane, dichloro-	bhcl2
860	CHCl2	dichloromethyl radical	chcl2
861	CHF2	difluoromethyl radical	chf2
862	CHF2+	difluoromethyl cation	chf2+
863	CHFCl	Chlorofluoromethyl radical	chfcl
864	CHFCl+	Chlorofluoromethyl cation	chfcl+
865	CHCl2+	dichloromethyl cation	chcl2+
866	CHBr2	dibromomethyl radical	chbr2
867	HOClO	Chlorous acid	hoclo
868	NHF2	difluoramine	nhf2
869	NHCl2	dichloroamine	nhcl2
870	CH2FCl	fluorochloromethane	ch2fcl
871	SiH2F2	difluorosilane	sih2f2
872	CH2BrF	Methane, bromofluoro-	ch2fbr
873	CH2BrCl	Methane, bromochloro-	ch2clbr
874	CH2FI	fluoroiodomethane	ch2fi
875	CH2Br2	dibromomethane	ch2br2
876	CH2ClI	chloroiodomethane	ch2cli
877	CH2BrI	bromoiodomethane	ch2bri
878	CH2I2	Diiodomethane	ch2i2
879	SiH2Cl2	dichlorosilane	sih2cl2
880	CH3MgBr	Methyl Magnesium Bromide	ch3mgbr
881	CH2CHF+	fluoroethene cation	ch2chf+
882	C2H3Cl	Ethene, chloro-	ch2chcl
883	C2H3Br	vinyl bromide	c2h3br
884	C2H3I	Vinyl iodide	c2h3i
885	CH2FOH	fluoromethanol	ch2foh
886	CH3OCl	methyl hypochlorite	ch3ocl
887	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
888	CHClCH3	1-chloroethyl radical	chclch3
889	CH3CH2Cl	Ethyl chloride	c2h5cl
890	CH3SiFH2	fluoromethylsilane	ch3sifh2
891	C2H5Br	Ethyl bromide	etbr
892	C2H5I	Ethyl iodide	c2h5i
893	KrF2	Krypton difluoride	krf2
894	XeF2	Xenon difluoride	xef2
895	B4H10	Tetraborane(10)	b4h10
896	C4+	Carbon tetramer cation	c4+
897	C4H2+	diacetlyene cation	c4h2+
898	C4H4	cyclobutadiene	cbd
899	C4H4	Tetrahedrane	c4h4
900	CHCCH2CH3	1-Butyne	c107006
901	CH3CHCHCH2	methylallyl radical	c4h7
902	C4H8	methylcyclopropane	mcp
903	CH2CHCH2CH3	1-Butene	bute1
904	B(CH3)3	trimethylborane	bme3
905	Al(CH3)3	trimethyl aluminum	tma
906	SiH(CH3)3	trimethylsilane	trimsi
907	Li3N	trilithium nitride	li3n
908	C2N2+	Cyanogen cation	c2n2+
909	P4	Phosphorus tetramer	p4
910	As4	Arsenic tetramer	as4
911	HCCCN+	Cyanoacetylene cation	hcccn+
912	H2CNCN	cyanamide, methylene	ch2ncn
913	HNCCNH	Ethenediimine	hnccnh
914	C3H3N+	acrylonitrile cation	ch2chcn+
915	CH3N3	methyl azide	ch3n3
916	NH2CCNH2	Diaminoacetylene	daa
917	NH2CH2CN	Aminoacetonitrile	aan
918	CH3NHN2+	methyl azide, protonated	ch3nhn2+
919	C2H5CN	ethyl cyanide	c2h5cn
920	CH5N3	Guanidine	guanidine
921	C4H6	Bicyclo[1.1.0]butane	c157335
922	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
923	H2NCHCHNH2	diaminoethylene	dae
924	CH6N3+	guanidinium	ch6n3+
925	C3H7N	Cyclopropylamine	cpram
926	CH7N3	triaminomethane	tam
927	C3H7N	Azetidine	azet
928	CH3NHNHCH3	dimethyl hydrazine	dmh
929	NH2CH2CH2CH3	1-Propanamine	pram1
930	P(CH3)3	trimethylphosphine	tmp
931	N(SiH3)3	trisilylamine	tsa
932	As(CH3)3	trimethyl arsine	tmas
933	(CH3)3NH+	protonated trimethyl amine	ptma
934	C3H7NH3+	n-propylamine, protonated	c3h7nh2
935	Li2O2	dilithium dioxide	li2o2
936	Na2O2	disodium dioxide	na2o2
937	K2O2	dipotassium dioxide	k2o2
938	C3O	Tricarbon monoxide	c3o
939	ONNO	NO dimer	onno
940	CO3	Carbon trioxide	co3
941	NO3-	nitrate anion	no3-
942	NO3+	nitrogen trioxide cation	no3+
943	SO3-	Sulfur trioxide anion	so3-
944	SO3--	Sulfate dianion	so3--
945	SO3+	Sulfur trioxide cation	so3+
946	SeO3	selenium trioxide	seo3
947	TeO3	Tellurium trioxide	teo3
948	HCO3-	bicarbonate anion	hco3-
949	HSO3	Hydroxysulfonyl radical	hso3
950	NH2NO2	nitramide	nh2no2
951	C2H2CO	cyclopropenone	c2h2co
952	C3H2O	Propadienal	c3h2o
953	HCCCHO	2-propynal	hcccho
954	C2H2O2+	Ethanedial cation	c2h2o2+
955	H2CO3	Carbonic acid	h2co3
956	H2CS3	thiocarbonic acid	h2cs3
957	H2NO3+	Nitric Acid, Protonated	h2no3+
958	H2SO3	Sulfurous acid	h2so3
959	C2H3NO	Nitrosoethylene	c2h3no
960	CH3NCO	methylisocyante	ch3nco
961	HOCH2CN	cyanomethanol	hoch2cn
962	NH2COOH	Carbamic acid	nh2cooh
963	H3BO3	Boric acid	h3bo3
964	H3CO3+	carbonic acid, protonated	h3co3+
965	C3H4O	2-Propyn-1-ol	c107197
966	C3H4O	Methylketene	c6004440
967	NH2CONH2+	Urea cation	urea+
968	NH2CSNH2	Thiourea	thiourea
969	C2H4O2	1,3-dioxetane	c2h4o2
970	CH3OCHO	methyl formate	ch3ocho
971	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
972	NH3COOH+	protonated Carbamic acid	nh3cooh+
973	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
974	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
975	HCOOHH2O	Formic acid water dimer	hcoohh2o
976	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
977	CH3COCH2	Acetonyl radical	ch3coch2
978	CH2C(OH)NH2	1-amino vinyl alchohol	ava
979	CH3C(OH)=NH	Ethaninidic acid	eia
980	HCONHCH3	N-methylformamide	nmfa
981	CH5N2O+	urea, N-protonated	ch4n2o+
982	H2NCOHNH2+	urea, protonated	ureah+
983	C2H5OO	ethylperoxy radical	c2h5oo
984	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
985	C3H5OH	Cyclopropanol	cproh
986	C3H6O	2-Propen-1-ol	c107186
987	C3H6O	Acetone enol	enol
988	C3H6O	Oxetane	oxetane
989	CH3COCH3-	acetone anion	ch3coch3-
990	C3H6S	Thietane	thietane
991	C3H6S	Thiirane, methyl-	methiirane
992	CH3CSCH3	Thioacetone	ch3csch3
993	CH3OOCH3	dimethylperoxide	dmp
994	CH3SOCH3	Dimethyl sulfoxide	dmso
995	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
996	CH3SSCH3	Disulfide, dimethyl	ch3ssch3
997	CH3COHCH3+	acetone, protonated	acetoneh+
998	HOCH2CH2NH2	monoethanolamine	mea
999	C3H7SH	1-Propanethiol	prsh
1000	CH3CHSHCH3	2-Propanethiol	isoprsh
1001	CH3SCH2CH3	Ethane, (methylthio)-	etsme
1002	H2OCH3OCH3	water dimethylether dimer	h2och3och3
1003	Li2F2	Lithium fluoride dimer	li2f2
1004	Na2F2	Sodium Fluoride Dimer	na2f2
1005	Na2Cl2	Disodium dichloride	na2cl2
1006	C2Cl2	dichloroacetylene	c2cl2
1007	C2Cl2+	dichloroacetylene cation	c2cl2+
1008	FNO2	Nitryl fluoride	fno2
1009	FONO	Nitrosyl hypofluorite	fono
1010	ClNO2	Nitryl chloride	clno2
1011	ClONO	chlorine nitrite	clono
1012	BrONO	Bromine nitrite	brono
1013	CF2O+	Carbonic difluoride cation	f2co+
1014	COFCl	Carbonic chloride fluoride	cofcl
1015	CCl2O	Phosgene	cl2co
1016	COBr2	Carbonic dibromide	cobr2
1017	BF3-	Borane, trifluoro- anion	bf3-
1018	BF3+	boron trifluoride cation	bf3+
1019	BClF2	Chlorodifluoroborane	bclf2
1020	AlF2Cl	Aluminum chloride difluoride	alclf2
1021	ScF3	Scandium trifluoride	ScF3
1022	AlFCl2	Aluminum dichloride fluoride	alcl2f
1023	BCl3	Borane, trichloro-	bcl3
1024	BCl3+	Boron Trichloride cation	bcl3+
1025	GaF3	Gallium trifluoride	gaf3
1026	AlCl3	Aluminum trichloride	alcl3
1027	GaCl3	Gallium trichloride	gacl3
1028	BBr3	Boron tribromide	bbr3
1029	AlBr3	Aluminum Bromide	albr3
1030	ClO3	Chlorine trioxide	clo3
1031	ClO3-	chlorate anion	clo3-
1032	BrO3-	Bromate anion	bro3-
1033	CF3-	Trifluoromethyl anion	cf3-
1034	CF3+	Trifluoromethyl cation	cf3+
1035	CF2Cl	difluorochloromethyl radical	cf2cl
1036	SiF3	Silicon trifluoride radical	sif3
1037	SiF3+	Silicon trifluoride cation	sif3+
1038	CFCl2	dichlorofluoromethyl radical	cfcl2
1039	CCl3	Trichloromethyl radical	ccl3
1040	CCl3-	Trichloromethyl anion	ccl3-
1041	CCl3+	Trichloromethyl cation	ccl3+
1042	SiCl3	trichlorosilyl radical	sicl3
1043	SiCl3+	trichlorosilyl cation	sicl3+
1044	CBr3	tribromomethyl radical	cbr3
1045	FOOF	Perfluoroperoxide	foof
1046	ClOOCl	Dichlorine dioxide	cloocl
1047	SOCl2	thionyl chloride	socl2
1048	SeOCl2	selenium oxychloride	seocl2
1049	NF3-	Nitrogen trifluoride anion	nf3-
1050	NF3+	Nitrogen trifluoride cation	nf3+
1051	PF3	Phosphorus trifluoride	pf3
1052	NCl3	nitrogen trichloride	ncl3
1053	AsF3	Arsenic trifluoride	asf3
1054	PCl3	Phosphorus trichloride	pcl3
1055	SbF3	Antimony Trifluoride	sbf3
1056	AsCl3	Arsenous trichloride	ascl3
1057	SbCl3	Antimony Trichloride	sbcl3
1058	NBr3	Nitrogen Tribromide	nbr3
1059	PBr3	Phosphorus tribromide	pbr3
1060	AsBr3	Arsenic tribromide	asbr3
1061	NI3	Nitrogen triiodide	ni3
1062	PI3	Phosphorus triiodide	pi3
1063	ClSSCl	Disulfur dichloride	s2cl2
1064	BrF3	Bromine trifluoride	brf3
1065	IF3	iodone trifluoride	if3
1066	CHF2Cl	difluorochloromethane	chf2cl
1067	SiHF3	trifluorosilane	sihf3
1068	CHFCl2	fluorodichloromethane	chfcl2
1069	CDCl3	trichloromethane-d	cdcl3
1070	CHCl3	Chloroform	chcl3
1071	CHBrF2	Methane, bromodifluoro-	chbrf2
1072	SiHCl3	Trichlorosilane	sihcl3
1073	CHFClBr	fluorochlorobromomethane	chfclbr
1074	CHBrCl2	Methane, bromodichloro-	chbrcl2
1075	CHF2I	difluoroiodomethane	chf2i
1076	CHBr2F	dibromofluoromethane	chbr2f
1077	CHFClI	fluorochloroiodomethane	chfcli
1078	CHCl2I	dichloroiodomethane	chcl2i
1079	CHClBr2	Methane, dibromochloro-	chclbr2
1080	CHBr3	bromoform	chbr3
1081	CHI3	Iodoform	chi3
1082	NF3H+	protonated nitrogen trifluoride	nf3h+
1083	AsF3H+	Arsenic trifluoride, protonated	asf3h+
1084	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1085	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
1086	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1087	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1088	CH2CCl2	Ethene, 1,1-dichloro-	ch2ccl2
1089	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
1090	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
1091	C2H2Br2	1,1-dibromoethene	c2h2br2
1092	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1093	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1094	CH2FCHO	Fluoroacetaldehyde	ch2fcho
1095	CH2ClCHO	chloroacetaldehyde	ch2clcho
1096	CH3COCl	Acetyl Chloride	ch3cocl
1097	C2H4F2	1,2-difluoroethane	c2h4f2
1098	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1099	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1100	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1101	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
1102	CH2BrCH2Cl	1-bromo-2-chloroethane	ch2brch2cl
1103	CH2BrCH2Br	Ethane, 1,2-dibromo-	ch2brch2br
1104	CH2CFCH3	2-fluoropropene	2fpro
1105	CH2CHCH2F	Allyl Fluoride	allylf
1106	CH3CHCHF	trans-1-Fluoro-1-propene	propene1ft
1107	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
1108	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
1109	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
1110	CH2FCH2OH	2-fluoroethanol	ch2fch2oh
1111	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
1112	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
1113	CH2FCH2CH3	1-Fluoropropane	prf1
1114	CH3CHFCH3	2-Fluoropropane	prf2
1115	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
1116	CH3CHClCH3	Propane, 2-chloro-	prcl2
1117	CH3CH2CH2Br	n-propyl bromide	prbr
1118	CH3CHBrCH3	i-propyl bromide	iprbr
1119	C3H9O+	trimethyl oxonium cation	c3h9o+
1120	B5H9	pentaborane9	b5h9
1121	C5H4	pentatetraene	ptrene
1122	C5H5	cyclopentadienyl radical	c5h5
1123	C5H6	Propellane	propellane
1124	C5H7	1,3-pentadienyl radical	pdyl
1125	C5H7	cyclopentenyl radical	cpyl
1126	C5H8	1,2-Butadiene, 3-methyl-	c598254
1127	C5H8	1,2-Pentadiene	c591957
1128	C5H8	1,3-Butadiene, 2-methyl-	c78795
1129	C5H8	1,3-Pentadiene, (E)-	c2004708
1130	C5H8	1-pentyne	a1pentyne
1131	C5H8	2,3-Pentadiene	c591968
1132	C5H8	Bicyclo[1.1.1]pentane	bcp
1133	C5H8	Ethenylcyclopropane	c693867
1134	CH3CCCH2CH3	2-Pentyne	2pentyne
1135	Si(CH3)4	tetramethylsilane	tms
1136	CH2N4	1H-Tetrazole	1htz
1137	C3H3N2	imidazolyl radical	im
1138	C3H3N2-	imidizolyl anion	im-
1139	C2H3N3	1H-1,2,4-Triazole	c288880
1140	C4H4N	pyrrolide radical	c4h4n
1141	C4H4N-	pyrrolide anion	c4h4n-
1142	C3H4N2	2H-Imidazole	imid2h
1143	C3H4N2	4H-Imidazole	imid4h
1144	C4H5N	2H-pyrrole	pyrrole2
1145	C4H5N	3H-pyrrole	pyrrole3
1146	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1147	C4H6N+	pyrrole, alpha-protonated	appyr
1148	C4H6N+	pyrrole, beta-protonated	bppyr
1149	C4H6N+	pyrrole, protonated	ppyr
1150	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1151	CH3CH2CH2CN	Butanenitrile	c109740
1152	C5H8	Spiropentane	c157404
1153	NH(C2H5)2	diethylamine	dea
1154	NC4H12+	tetramethyl ammonium cation	nc4h12+
1155	C3O2+	Carbon suboxide cation	c3o2+
1156	B2O3	diboron trioxide	b2o3
1157	MgCO3	Magnesium Carbonate	mgco3
1158	BeCO3	Beryllium Carbonate	beco3
1159	CaCO3	Calcium Carbonate	caco3
1160	ONONO	Nitrosyl nitrite	onono
1161	PO4---	phosphate	po4---
1162	SO4--	sulfate	so4--
1163	HOONO2	peroxy nitric acid	hoono2
1164	HSO4-	bisulfate anion	hso4-
1165	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1166	C3H2O2	Propiolic acid	c3h2o2
1167	CHOCOOH	oxo acetic acid	oaa
1168	CHOOCHO	diformyl ether	choocho
1169	H2SeO4	Selenic acid	h2seo4
1170	C3H3NO	Oxazole	oxazole
1171	C3H3NS	Thiazole	thiazole
1172	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1173	H3PO4	Phosphoric Acid	h3po4
1174	C4H4O+	Furan cation	furan+
1175	CH3COCCH	3-butyn-2-one	c1423605
1176	C4H4S	Thiophene	furans
1177	C4H4Se	selenophene	c4h4se
1178	C3H4O2	Methyl glyoxal	megly
1179	HOCHCCHOH	allenediol	aldiol
1180	C2H4O3	1,2,3-trioxolane	c2h4o3
1181	C2H4O3	trioxolane124	triox
1182	HOCH2COOH	Hydroxyacetic acid	hac
1183	CH5N3S	Hydrazinecarbothioamide	c79196
1184	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1185	C4H6O	cis-2-butenal	butenal2c
1186	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1187	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1188	CH2CHSCHCH2	Divinyl sulfide	divis
1189	CH3CH2COOH	Propanoic Acid	propanoic
1190	HCOOC2H5	Ethyl formate	faee
1191	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1192	C3H7NO	dimethylformamide	dmf
1193	C4H8O	Furan, tetrahydro-	thf
1194	C4H8S	Thiophene, tetrahydro-	tht
1195	C3H8S2	1,3-Propanedithiol	c109808
1196	C4H10O	1-Butanol	butanol1
1197	C4H10O	Methyl propyl ether	meopr
1198	C4H10O+	1-Butanol cation	butanol1+
1199	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1200	C2H5SC2H5	Diethyl sulfide	etset
1201	C4H9SH	1-Butanethiol	bush
1202	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1203	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1204	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1205	ClONO2	Chlorine nitrate	clono2
1206	BrONO2	Bromine nitrate	brono2
1207	TiCl4	Titanium tetrachloride	ticl4
1208	ClO4-	perchlorate anion	clo4-
1209	ClFO3	Perchloryl fluoride	clfo3
1210	SO2F2	Sulfuryl fluoride	so2f2
1211	SO2Cl2	Sulfuryl chloride	so2cl2
1212	F3PO	Phosphoryl fluoride	pf3o
1213	Cl3PO	Phosphoryl chloride	pcl3o
1214	CF3Cl	Methane, chlorotrifluoro-	cf3cl
1215	SiF4	Silicon tetrafluoride	sif4
1216	TiF4	Titanium tetrafluoride	tif4
1217	CFCl3	Trichloromonofluoromethane	cfcl3
1218	CF3Br	Bromotrifluoromethane	cf3br
1219	GeF4	Germanium tetrafluoride	gef4
1220	CCl4	Carbon tetrachloride	ccl4
1221	CCl4+	Carbon tetrachloride cation	ccl4+
1222	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1223	SiCl4	Silane, tetrachloro-	sicl4
1224	CBrCl2F	bromodichlorofluoromethane	cbrcl2f
1225	CF3I	trifluoroiodomethane	cf3i
1226	CBrCl3	Methane, bromotrichloro-	cbrcl3
1227	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1228	GeCl4	Germanium Tetrachloride	gecl4
1229	CBr2ClF	dibromochlorofluoromethane	cbr2clf
1230	CBr2Cl2	dibromodichloromethane	cbr2cl2
1231	CCl3I	trichloroiodomethane	ccl3i
1232	CFBr3	fluorotribromomethane	cfbr3
1233	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1234	CBr3Cl	tribromochloromethane	cbr3cl
1235	CF2I2	difluorodiiodomethane	cf2i2
1236	CBr4	Carbon tetrabromide	cbr4
1237	CCl2I2	dichlorodiiodomethane	ccl2i2
1238	SiBr4	Silicon tetrabromide	sibr4
1239	CBr3I	tribromoiododmethane	cbr3i
1240	GeBr4	Germanium tetrabromide	gebr4
1241	CI4	tetraiodomethane	ci4
1242	SiI4	silicon tetraiodide	sii4
1243	ClOF3	Chlorine trifluoride oxide	clof3
1244	SeF4	Selenium tetrafluoride	sef4
1245	SCl4	Sulfur tetrachloride	scl4
1246	C2HF3+	Trifluoroethylene cation	c2hf3+
1247	CHClCCl2	Trichloroethylene	chclccl2
1248	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1249	HSO3F	Fluorosulfonic acid	hso3f
1250	CF3OH	trifluoromethanol	cf3oh
1251	CH2ClCCCl	1,3-dichloropropyne	ch2clcccl
1252	CHClCCHCl	1,3-dichloroallene	chclcchcl
1253	CHCl2CCH	3,3-dichloropropyne	chcl2cch
1254	CHCl2CHO	dichloroacetaldehyde	chcl2cho
1255	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1256	CHF2CH2F	Ethane, 1,1,2-trifluoro	ch2fchf2
1257	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1258	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1259	CH2ClCHCl2	1,1,2-trichloroethane	ch2clchcl2
1260	CH3CCl3	Ethane, 1,1,1-trichloro-	ch3ccl3
1261	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1262	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1263	NH3BCl3	Amminetrichloroboron	nh3bcl3
1264	CH2CClCHCH2	1,3-Butadiene, 2-chloro-	c4h5cl
1265	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1266	CH2FCH2CH2F	1,3-difluoropropane	ch2fch2ch2f
1267	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1268	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1269	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1270	CH3CCl2CH3	Propane, 2,2-dichloro-	prdicl22
1271	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1272	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1273	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1274	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1275	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1276	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1277	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1278	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1279	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1280	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1281	C4H9F	1-fluorobutane	butaf1
1282	CH3CHFCH2CH3	2-fluorobutane	butaf2
1283	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1284	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1285	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1286	XeF4	Xenon tetrafluoride	xef4
1287	C2H2N2O	Furazan	furazan
1288	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1289	NH3BF3	Amminetrifluoroboron	nh3bf3
1290	C6H2	hexatriyne	c6h2
1291	C6H4	Benzyne	benzyne
1292	C6H5-	phenyl anion	phenyl-
1293	C6H6	Prismane	prismane
1294	C6H6	1,2,4,5-Hexatetraene	ht1245
1295	C6H6	3,4-Dimethylenecyclobutene	cb34m
1296	C6H6	Benzene	benzene
1297	C6H6	Benzvalene	bv
1298	C6H6	Dewar Benzene	dewar
1299	C6H6	Hexa-1,5-diene-3-yne	hdy153
1300	C6H6	Trimethylenecycopropane	tmcp
1301	C6H6+	Benzene cation	c6h6+
1302	C6H7+	benzene, protonated	c6h7+
1303	C6H8	(Z)-hexa-2,3,4-triene	hetr234c
1304	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1305	C6H10	1,5-Hexadiene	c592427
1306	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1307	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1308	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1309	C6H12	(E)-2-Hexene	e2hexene
1310	C6H12	(E)-hex-3-ene	e3hexene
1311	C6H12	(Z)-hex-2-ene	z2hexene
1312	C6H12	(Z)-hex-3-ene	z3hexene
1313	C6H12	2,3-dimethylbut-1-ene	c563780
1314	C6H12	2,3-dimethyl-but-2-ene	tmeet
1315	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1316	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1317	C6H14	Hexane	hexane
1318	N3P3	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1319	C4H2N2	Fumaronitrile	c4h2n2
1320	C2H2N4	sym-tetrazine	ttz
1321	C5H5N	E-2,4-pentadienenitrile	bdcn
1322	B3N3H6	borazine	borazine
1323	C5H6N+	Pyridinium	c5h6n
1324	C6H10	Bicyclo[3.1.0]hexane	c285585
1325	Li2CO3	Lithium Carbonate	li2co3
1326	Na2CO3	Sodium Carbonate	na2co3
1327	C2O4--	oxalate anion	c2o4
1328	MgSO4	Magnesium Sulfate	mgso4
1329	C3H2O3	vinylene carbonate	vica
1330	C2H2O4	Oxalic Acid	oxalic
1331	C4H4O2	2(5H)-Furanone	furanone
1332	C2H4N2S2	Ethanedithioamide	c79403
1333	C2H4CO3	Ethylene carbonate	etco3
1334	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1335	C3H4S3	1,3-Dithiolane-2-thione	c822388
1336	C2H4O4	Formic acid dimer	fadimer
1337	C4H5NS	4-Methylthiazole	c693958
1338	C2H5NO3	Nitric acid, ethyl ester	c625581
1339	C5H6O	2H-Pyran	pyran2
1340	C5H6O	2-methylfuran	furan2m
1341	C5H6O	3-Methylfuran	furan3m
1342	C5H6O	Pentadienal	pdal
1343	C5H6S	Thiophene, 2-methyl-	c554143
1344	C5H6S	Thiophene, 3-methyl-	c616444
1345	C4H6O2	γ–Butyrolactone	c96480
1346	C4H6O2	2,3-Butanedione	c431038
1347	C4H6O2	Crotonic Acid	crot
1348	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1349	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1350	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1351	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1352	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1353	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1354	C4H6OS	Vinyl sulfoxide	c1115157
1355	CH6N4S	Carbonothioic dihydrazide	thiacarb
1356	C3H6S3	1,3,5-Trithiane	c3h6s3
1357	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1358	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1359	C4H7NO	Ethoxyacetonitrile	etoaccn
1360	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1361	C3H7ONO	Propyl nitrite	prono
1362	CH3CH(NH2)COOH	Alanine	alanine
1363	C5H8O	Cyclopentanone	c120923
1364	C5H8O	Methyl cyclopropyl ketone	c765435
1365	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1366	C4H8O2	1,3-Dioxane	dioxan13
1367	C4H8O2	Ethyl acetate	c141786
1368	C4H8OS	s-Ethyl thioacetate	c625605
1369	C3H8O3	1,2,3-Propanetriol	glycerin
1370	C3H8O2S	(Methylsulfonyl)ethane	c594434
1371	C5H10O	2-methylbutyraldehyde	2meba
1372	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1373	C5H10S	3-Ethylthio-1-propene	c5296628
1374	C5H10S	Cyclopentanethiol	c1679078
1375	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1376	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1377	C4H10OS	Diethyl sulfoxide	c70291
1378	C4H10S2	1,4-Butanedithiol	budisl14
1379	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1380	C5H12S	1-Butanethiol, 3-methyl-	c541311
1381	C5H12S	1-Pentanethiol	c110667
1382	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1383	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1384	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1385	C5H12S	Butane, 1-(methylthio)-	c628295
1386	C5H12S	Ethyl propyl sulfide	c4110503
1387	C5H12S	Propane, 2-(ethylthio)-	c5145993
1388	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1389	C4F2	difluorobutadiyne	c4f2
1390	ClCOClCO	Oxalyl chloride	oxcl
1391	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1392	C2F4+	Tetrafluoroethylene cation	c2f4+
1393	C2ClF3	Ethene, chlorotrifluoro-	c2f3cl
1394	CF2CCl2	difluorodichloroethylene	cf2ccl2
1395	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1396	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1397	C2FCl3	fluorotrichloroethene	c2fcl3
1398	C2Cl4	Tetrachloroethylene	c2cl4
1399	C2Br4	tetrabromoethene	c2br4
1400	AsF5	Arsenic pentafluoride	asf5
1401	PCl5	Phosphorus pentachloride	pcl5
1402	SF5	Sulfur pentafluoride	sf5
1403	SF5+	pentafluoro sulfur cation	sf5+
1404	SbCl5	Antimony pentachloride	sbcl5
1405	BrF5	bromine pentafluoride	brf5
1406	ClF5	chlorinepentafluoride	clf5
1407	IF5	pentafluoroiodine	if5
1408	CF3CHO	trifluoroacetaldehyde	cf3cho
1409	CCl3CHO	trichloroacetaldehyde	ccl3cho
1410	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1411	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1412	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1413	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1414	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1415	CH2ClCCl3	1,1,1,2-tetrachloroethane	ch2clccl3
1416	CH2BrCBr3	1,1,1,2-tetrabromo ethane	c2h2br4
1417	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1418	CF3COOH	trifluoroacetic acid	cf3cooh
1419	C4H3ClO	Furan, 2-chloro	fur2cl
1420	C4H3ClO	Furan,3-chloro	fur3cl
1421	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1422	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1423	C4H8Cl2	1,4-Dichlorobutane	c110565
1424	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1425	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1426	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1427	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1428	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1429	C5H11Cl	Pentane, 1-chloro-	pencl1
1430	C4H8O2	Butanoic acid	bua
1431	C7H7	cycloheptatrienyl radical	c7h7
1432	C7H7+	cycloheptatrienyl cation	c7h7+
1433	C7H8	cycloheptatriene	cht
1434	C7H8	Norbornadiene	norbor
1435	C7H8	Quadricyclane	qucy
1436	C7H14	cycloheptane	c7h14
1437	C7H16	2-methylhexane	2mhex
1438	C7H16	3-methylhexane	hex3m
1439	CH(CN)3	tricyanomethane	mecn3
1440	HN=C=C(CN)2	Dicyanoketenimine	c4hn3
1441	C6H7N	2-Methylpyridine	mp
1442	C6H5NH2	aniline	aniline
1443	C6H13N	2-Methylpiperidine	pip2m
1444	C6H13N	cyclohexanamine	cham
1445	C6H15N	triethylamine	tea
1446	N2O5	Dinitrogen pentoxide	n2o5
1447	C4H2O3	Maleic Anhydride	malan
1448	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1449	C5H4O2	furfural	furfural
1450	C6H5O	phenoxy radical	phenoxy
1451	C5H5NO	2(1H)-Pyridinone	c72762006
1452	C5H5NO	2(3H)-Pyridinone	c9000048
1453	C5H5NO	2(5H)-Pyridinone	c9000037
1454	C5H5NO	2-Pyridinol	c109104
1455	C5H5NO	3(2H)-Pyridinone	c9000004
1456	C5H5NO	3(4H)-Pyridinone	c9000026
1457	C5H5NO	3(6H)-Pyridinone	c9000015
1458	C5H5NO	3-Pyridinol	c109002
1459	C5H5NO	4(1H)-Pryidinone	c9000060
1460	C5H5NO	4(3H)-Pryidinone	c9000059
1461	C5H5NO	4-Pyridinol	c626642
1462	C6H6O	2,4-Cyclohexadienone	c24599573
1463	C6H6O	2,5-Cyclohexadienone	c5664335
1464	C6H5SH	Benzenethiol	phsh
1465	HO2CCHNH2CH2OH	Serine	serine
1466	C5H8O2	Acetylacetone	acac
1467	C4H8O2S	Sulfolane	sulfolane
1468	C7H10	Norbornene	norbornene
1469	CH(C2H3)3	trivinyl methane	tvm
1470	C6H12O	hexanal	c6h12o
1471	C6H12O	Oxepane	oxepane
1472	C3H7OC3H7	di-n-propyl ether	propr
1473	F2CCCF2	tetrafluoroallene	pfa
1474	CF3COO-	trifluoro acetate anion	cf3coo-
1475	CF3COF	trifluoroacetyl fluoride	cf3cof
1476	CF3COCl	trifluoroacetyl chloride	cf3cocl
1477	PF6	Hexafluorophosphate neutral	pf6
1478	SF6	Sulfur Hexafluoride	sf6
1479	SeF6	Selenium hexafluoride	sef6
1480	CF3CHF2	pentafluoroethane	cf3chf2
1481	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1482	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1483	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1484	CCl3CHCl2	pentachloroethane	ccl3chcl2
1485	C6H5Cl	chlorobenzene	bzcl
1486	C6H5Br	bromobenzene	bzbr
1487	C8H6	Calicene	calicene
1488	C8H6	benzocyclobutadiene	bcbd
1489	C8H6	Pentalene	pentalene
1490	CH3C6H4CH3	meta-xylene	mxylene
1491	CH3C6H4CH3	paraxylene	pxylene
1492	C8H14	Bicyclo[2.2.2]octane	bico222
1493	C8H16	cyclooctane	cyclooct
1494	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1495	C8H18	Octane	c8h18
1496	C6H12N2	Triethylenediamine	ted
1497	C4O4--	squarate dianion	c4o4--
1498	S4N4	Tetrasulfur tetranitride	s4n4
1499	S8	Octasulfur	s8
1500	C6H4O2	parabenzoquinone	pbq
1501	C4H4N2O2	Uracil	uracil
1502	C5H9NO2	Proline	proline
1503	C6H12O2	Methyl pivalate	c598981
1504	C6H12O2	Hexanoic acid	hexa
1505	C4F4	tetrafluorcyclobutadiene	c4f4
1506	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1507	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1508	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1509	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1510	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1511	C2Cl6	hexachloroethane	c2cl6
1512	IF7	Iodine heptafluoride	if7
1513	C6H4F2	metadifluorobenzene	mdfb
1514	C6H4F2	orthodifluorobenzene	odfb
1515	C6H4F2	1,4-difluorobenzene	pdfb
1516	C6H4Cl2	1,2-dichlorobenzene	dcb12
1517	C6H4Cl2	1,3-dichlorobenzene	dcb13
1518	C6H4Cl2	1,4-dichlorobenzene	dcb14
1519	C6H5NO	nitrosobenzene	bzno
1520	C9H8	Indene	indene
1521	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1522	C9H12	n-propyl benzene	prbz
1523	C9H20	Nonane	nonane
1524	C(CN)4	tetracyanomethane	c5n4
1525	C5H4N4	purine	purine
1526	C8H7N	Indole	indole
1527	C3H3N3O3	cyanuric acid	cyanuric
1528	CH3COC6H5	acetophenone	acph
1529	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1530	C3F6	hexafluoropropene	c3f6
1531	C6H3F3	Benzene trifluoride 123	bzf3a
1532	C8H18O	1-Octanol	octanol
1533	C10H8	Azulene	azu
1534	C10H8	naphthalene	naph
1535	C10H10	bullvalene	bullv
1536	C6N4	Tetracyanoethylene	tcne
1537	C6N4-	tetracyanoethylene anion	tcne-
1538	C10H22	Decane	decane
1539	C4F6	perfluorobutadiene	c4f6
1540	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1541	C3F8	perfluoropropane	c3f8
1542	Fe(CO)5	Iron pentacarbonyl	ipc
1543	Fe(C5H5)2	ferrocene	fecp2
1544	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1545	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1546	C12H8	Acenaphthylene	acenaph
1547	C12H8	biphenylene	biph
1548	C12H10	Heptalene	heptalene
1549	C6H12O6	Inositol	inositol
1550	C6F6	hexafluorobenzene	c6f6
1551	S2F10	disulphur decafluoride	s2f10
1552	C13H10	Fluorene	fluorene
1553	C14H10	Anthracene	anth
1554	C14H10	Phenanthrene	phenanthrene
1555	C14H14	Bibenzyl	bibenzyl
1556	C12H10N2	azobenzene	azobenzene
1557	C6H5COC6H5	benzophenone	benzophenone
1558	C16H10	Pyrene	pyrene
1559	C18H12	Tetracene	tetracene
1560	C19H16	Triphenylmethane	tpm
1561	C24H12	Coronene	coronene
1562	C60	Buckminsterfullerene	c60