National Institute of Standards and Technology

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

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
XIII	Vibrations
XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities

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

List of which calculations are completed at B1B95 /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	HD	Deuterium hydride	1Σg	D∞h
7	He	Helium atom	1S	Kh
8	He2+	helium diatomic cation	2Σu	D∞h
9	Li	Lithium atom	2S	Kh
10	Na	Sodium atom	2S	Kh
11	LiH	Lithium Hydride	1Σ	C∞v
12	LiH-	lithium hydride anion	2Σ	C∞v
13	LiH+	lithium hydride cation	2Σ	C∞v
14	NaH	sodium hydride	1Σ	C∞v
15	Be	Beryllium atom	1S	Kh
16	Mg	Magnesium atom	1S	Kh
17	BeH	beryllium monohydride	2Σ	C∞v
18	BeH-	berylium monohydride anion	1Σ	C∞v
19	BeH+	beryllium monohydride cation	1Σ	C∞v
20	MgH	magnesium monohydride	2Σ	C∞v
21	MgH-	magnesium monohydride anion	1Σ	C∞v
22	MgH+	magnesium monohydride cation	1Σ	C∞v
23	BeH2	beryllium dihydride	1Σg	D∞h
24	MgH2	magnesium dihydride	1Σg	D∞h
25	B	Boron atom	2P	Kh
26	BH	Boron monohydride	1Σ	C∞v
27	BH-	boron monohydride anion	2Π	C∞v
28	BH+	boron monohydride cation	2Σ	C∞v
29	AlH	aluminum monohydride	1Σ	C∞v
30	BH2	boron dihydride	2A1	C2v
31	BH3	boron trihydride	1A1'	D3h
32	C	Carbon atom	3P0	Kh
33	Si	Silicon atom	3P	Kh
34	CH	Methylidyne	2Π1/2	C∞v
35	CH-	methylidyne anion	3Σ	C∞v
36	CH+	Methylidyne cation	1Σ	C∞v
37	CH2	Methylene	3B1	C2v
38	CH2	Methylene	1A1	C2v
39	CH2-	methylene anion	2B1	C2v
40	CH2+	methylene cation	2A1	C2v
41	SiH2	silicon dihydride	1A1	C2v
42	SiH2	silicon dihydride	3B1	C2v
43	CH3	Methyl radical	2A1	D3h
44	CH3-	methyl anion	1A1	C3v
45	CH3+	methyl cation	1A1'	D3h
46	SiH3	Silyl radical	2A1	C3v
47	CH4	Methane	1A1	Td
48	SiH4	Silane	1A1	Td
49	P	Phosphorus atom	4S	Kh
50	NH	Imidogen	3Σ-	C∞v
51	NH	Imidogen	1Σ+	C∞v
52	NH-	Imidogen anion	2Π	C∞v
53	NH+	imidogen cation	2Π	C∞v
54	PH	phosphorus monohydride	1Σ+	C∞v
55	ND2	Amidogen-d2	2B1	C2v
56	NH2	Amino radical	2B1	C2v
57	NH2-	amino anion	1A1	C2v
58	ND3	Ammonia-d3	1A1	C3v
59	NH3	Ammonia	1A1	C3v
60	PH3	Phosphine	1A1	C3v
61	PH4+	phosphonium cation
62	O	Oxygen atom	3S	Kh
63	S	Sulfur atom	3P	Kh
64	DO	Hydroxyl-d	2Π	C∞v
65	OH	Hydroxyl radical	2Π	C∞v
66	OH+	hydoxyl cation	3Σ	C∞v
67	OH+	hydoxyl cation	1Σ	C∞v
68	HS	Mercapto radical	2Π	C∞v
69	D2O	Deuterium oxide	1A1	C2v
70	H2O	Water	1A1	C2v
71	H2O-	water anion	2A1	C2v
72	H2O+	water cation	2B1	C2v
73	HDO	Water-d1	1A1	C2v
74	D2S	Hydrogen sulfide-d2	1A1	C2v
75	H2S	Hydrogen sulfide	1A1	C2v
76	H2S+	Hydrogen sulfide cation	2B1	C2v
77	H3O+	hydronium cation	1A1	C3v
78	H3S+	Sulfonium cation	1A1	C3v
79	F	Fluorine atom	2P	Kh
80	Cl	Chlorine atom	2P	Kh
81	DF	Hydrofluoric acid-d	1Σ	C∞v
82	HF	Hydrogen fluoride	1Σ	C∞v
83	HF-	hydrogen fluoride anion	2Σ	C∞v
84	HF+	hydrogen fluoride cation	2Π	C∞v
85	HCl	Hydrogen chloride	1Σ	C∞v
86	HCl+	hydrogen chloride cation	2Π	C∞v
87	H2Cl+	dihydrogen monochloride cation	1A1	C2v
88	NeH+	neon hydrogen cation	1Σ	C∞v
89	Li2	Lithium diatomic	1Σg	D∞v
90	Li2-	lithium diatomic anion	2Σu	D∞h
91	NaLi	lithium sodium	1Σ	C∞v
92	NaLi-	lithium sodium anion	2Σ	C∞v
93	Na2	Sodium diatomic	1Σg	D∞h
94	Na2-	sodium diatomic anion	2Σu	D∞h
95	Na2+	sodium diatomic cation	2Σg	D∞h
96	Be2-	Beryllium diatomic anion	2Πu	D∞h
97	Be2+	Beryllium diatomic cation	2Σu	D∞h
98	Mg2	Magnesium diatomic	1Σg	D∞h
99	Mg2-	magnesium diatomic anion	2ΠU	D∞h
100	Mg2+	magnesium diatomic cation	2Σu	D∞h
101	B2	Boron diatomic	3Σg	D∞h
102	B2	Boron diatomic	1Σg	D∞h
103	B2	Boron diatomic	5Σu	D∞h
104	B2-	Boron diatomic anion	4Σg	D∞h
105	BAl	Boron Aluminum	3Σ	C∞v
106	B2H6	Diborane	1Ag	D2h
107	BC-	boron monocarbide anion	3Πu	C∞v
108	BC-	boron monocarbide anion	1Σg+	C∞v
109	BC+	boron monocarbide cation	3Σ	C∞v
110	BC+	boron monocarbide cation	1Σ	C∞v
111	AlC	Aluminum carbide	4Σ	C∞v
112	C2	Carbon diatomic	1Σg+	D∞h
113	C2	Carbon diatomic	3Πu	D∞h
114	C2-	carbon diatomic anion	2Σg	D∞h
115	C2+	carbon diatomic cation	2Π	D∞h
116	SiC	silicon monocarbide	3Σ	C∞v
117	SiC	silicon monocarbide	1Σ	C∞v
118	C2H	Ethynyl radical	2Σ	C∞v
119	C2H2	Acetylene	1Σg	D∞h
120	C2H2+	acetylene cation	2Πu	D∞h
121	CCH2	vinylidene	1A1	C2v
122	C2H3	vinyl	2A'	Cs
123	C2H4	Ethylene	1Ag	D2h
124	C2H5	Ethyl radical	2A'	Cs
125	C2H6	Ethane	1A1g	D3d
126	Si2H6	disilane	1Eu	D3d
127	BeN-	Beryllium mononitride anion	1Σ	C∞v
128	BN-	boron nitride anion	2Σ	C∞v
129	BN	boron nitride	3Π	C∞v
130	BN	boron nitride	1Σ	C∞v
131	BN+	boron nitride cation	2Π	C∞v
132	AlN	Aluminum nitride	3Πi	C∞v
133	CN	Cyano radical	2Σ	C∞v
134	CN-	cyanide anion	1Σ	C∞v
135	CN+	Cyano cation	1Σ	C∞v
136	SiP	Silicon monophosphide	2Π	C∞v
137	N2	Nitrogen diatomic	1Σg	D∞h
138	N2-	nitrogen diatomic anion	2Πg	D∞h
139	P2	Phosphorus diatomic	1Σg	D∞h
140	HNC	hydrogen isocyanide	1Σ	C∞v
141	HCN	Hydrogen cyanide	1Σ	C∞v
142	HCN+	hydrogen cyanide cation	2Π	C∞v
143	NNH	Dinitrogen monohydride	2A'	Cs
144	N2H2	(E)-diazene	1Ag	C2h
145	CH2NH	Methanimine	1A'	Cs
146	CH2PH	Phosphaethene	1A'	Cs
147	CH2NH2+	methyleneamine cation	1A1	C2v
148	N2H4	Hydrazine	1A	C2
149	CH3NH2	methyl amine	1A'	Cs
150	BH3PH3	borane phosphine
151	NH3NH3	Ammonia Dimer	1Ag	C2h
152	LiO-	lithium oxide anion	1Σ	C∞v
153	LiO+	lithium oxide cation	3Σ	C∞v
154	LiO+	lithium oxide cation	1Σ	C∞v
155	LiS	Lithium monosulfide	2Π	C∞v
156	NaO	sodium monoxide	2Σ	C∞v
157	NaO-	sodium oxide anion	1Σ	C∞v
158	BeO	beryllium oxide	1Σ	C∞v
159	BeO-	Beryllium monoxide anion	2Σ	C∞v
160	BeO+	Beryllium monoxide cation	2Π	C∞v
161	MgO	magnesium oxide	1Σ+	C∞v
162	MgO-	magnesium oxide anion	2Σ	C∞v
163	MgO+	magnesium oxide cation	2Π	C∞v
164	CaS	Calcium sulfide	1Σ	C∞v
165	BO	boron monoxide	2Σ	C∞v
166	BO-	boron monoxide anion	1Σ	C∞v
167	BO+	boron monoxide cation	1Σ	C∞v
168	CO	Carbon monoxide	1Σ	C∞v
169	CO-	carbon monoxide anion	2Π	C∞v
170	CO+	carbon monoxide cation	2Σ	C∞v
171	GeO	Germanium monoxide	1Σ	C∞v
172	SiSe	Silicon Monoselenide
173	NO	Nitric oxide	2Π	C∞v
174	NO-	nitric oxide anion	3Σ	C∞v
175	NO-	nitric oxide anion	1Δ	C∞v
176	NS	Mononitrogen monosulfide	2Π	C∞v
177	PO	Phosphorus monoxide	2Π	C∞v
178	PS	phosphorus sulfide	2Σ	C∞v
179	O2	Oxygen diatomic	3Σg	D∞h
180	O2-	oxygen diatomic anion	2Π	D∞h
181	SO	Sulfur monoxide	3Σ	C∞v
182	SO	Sulfur monoxide	1Σ	C∞v
183	S2	Sulfur diatomic	3Σg	D∞h
184	S2+	sulfur diatomic cation	2Π	D∞h
185	Se2	Selenium diatomic	3Σg	D∞h
186	LiOH	lithium hydroxide	1Σ	C∞v
187	BeOH	beryllium monohydroxide	2A'	Cs
188	MgOH	magnesium hydroxide	2A'	Cs
189	HBO	Boron hydride oxide	1Σ	C∞v
190	HCO	Formyl radical	2A'	Cs
191	HNO	Nitrosyl hydride	1A'	Cs
192	HO2	Hydroperoxy radical	2A"	Cs
193	HSO+	Sulfur Monoxide, S-protonated
194	SOH	Sulfur Hydroxide
195	SOH+	Sulfur Monoxide, protonated
196	H2CO	Formaldehyde	1A1	C2v
197	H2CO+	formaldehyde cation	2B2	C2v
198	H2CS	Thioformaldehyde	1A1	C2v
199	H2CSe	Selenoformaldehyde
200	H2O2	Hydrogen peroxide	1A	C2
201	H2S2	Disulfane	1A	C2
202	H2S2+	hydrogen disulfide cation	2Bg	C2h
203	CH2OH	Hydroxymethyl radical	2A	C1
204	CH2OH+	hydroxymethyl cation	1A'	Cs
205	CH3O	Methoxy radical	2A'	C1
206	H2CSH+	Thioformaldehyde, protonated	1A'	Cs
207	NH2OH	hydroxylamine	1A'	Cs
208	H2POH	Phosphinous acid	1A1'	CS trans
209	H2POH	Phosphinous acid	1A1'	CS cis
210	H3PO	Phosphine oxide	1A1	C3v
211	CH3OH	Methyl alcohol	1A'	Cs
212	CH3SH	Methanethiol	1A'	Cs
213	H2OH2O	water dimer	1A'	Cs
214	CH3SH2+	protonated methylsulfide	1A'	Cs
215	H2ONH3	Water Ammonia Dimer	1A'	C1
216	LiF	lithium fluoride	1Σ	C∞v
217	LiCl	lithium chloride	1Σ	C∞v
218	NaF	sodium fluoride	1Σ	C∞v
219	NaF-	sodium fluoride anion	2Σ	C∞v
220	NaF+	sodium fluoride cation	2Σ	C∞v
221	LiF-	lithium fluoride anion	2Σ	C∞v
222	LiF+	lithium fluoride cation	2Π	C∞v
223	BeF-	Beryllium monofluoride anion	1Σ	C∞v
224	MgF	Magnesium monofluoride	2Σ	C∞v
225	MgF-	magnesium fluoride anion	1Σ	C∞v
226	MgF+	magnesium fluoride cation	1Σ	C∞v
227	BF	Boron monofluoride	1Σ	C∞v
228	BF-	Boron monofluoride anion	2Π	C∞v
229	BF+	Boron monofluoride cation	2Σ	C∞v
230	AlCl	Aluminum monochloride	1Σ	C∞v
231	CF	Fluoromethylidyne	2Π	C∞v
232	CF-	carbon monofluoride anion	3Σ	C∞v
233	CF-	carbon monofluoride anion	1Σ	C∞v
234	CF+	carbon monofluoride cation	1Σ	C∞v
235	SiF	silicon monofluoride	2Π	C∞v
236	SiF+	silicon monofluoride cation	1Σ	C∞v
237	NF	nitrogen fluoride	3Σ	C∞v
238	NF	nitrogen fluoride	1Σ	C∞v
239	NF-	nitrogen monofluorine anion	2Π	C∞v
240	NF+	nitrogen monofluoirde cation	2Π	C∞v
241	NCl	nitrogen monochloride	3Σ	C∞v
242	FO	Oxygen monofluoride	2Π	C∞v
243	FO-	flourine oxide anion	1Σ	C∞v
244	FO+	fluorine monoxide cation	3Σ	C∞v
245	ClO	Monochlorine monoxide	2Π	C∞v
246	SF	Monosulfur monofluoride	2Π	C∞v
247	SF+	sulfur monofluoride cation	3Σ	C∞v
248	SCl	sulfur monochloride	2Π	C∞v
249	SCl+	sulfur monochloride cation	3Σg	C∞v
250	SBr	Sulfur monobromide radical
251	F2	Fluorine diatomic	1Σg	D∞h
252	F2-	flourine diatomic anion	2Σu	D∞h
253	F2+	flourine diatomic cation	2Πg	D∞h
254	ClF	Chlorine monofluoride	1Σ+	C∞v
255	Cl2	Chlorine diatomic	1Σg	D∞h
256	Cl2-	chlorine diatomic anion	2Σu	D∞h
257	Cl2+	chlorine diatomic cation	2Πg	D∞h
258	HCF	Fluoromethylene	1A'	Cs
259	HOF	Hypofluorous acid	1A'	Cs
260	CH2Cl	chloromethyl radical	2A'	Cs
261	CH3F	Methyl fluoride	1A1	C3v
262	CH3Cl	Methyl chloride	1A1	C3v
263	SiH3Cl	chlorosilane	1A1	C1
264	C3	carbon trimer	1Σg	D∞h
265	C3H3	Propargyl radical	2B1	Cs
266	CH2CCH2	allene	1A1	D2d
267	CH3CCH	propyne	1A'	C3v
268	C3H6	Cyclopropane	1A1'	D3h
269	CH2CHCH3	Propene	1A'	Cs
270	C3H7	n-Propyl radical	2A"	C1
271	C3H8	Propane	1A1	C2v
272	Si3H8	trisilane
273	HN3	hydrogen azide	1A'	Cs
274	CH2NN	diazomethane	1A1	C2v
275	CH3CN	Acetonitrile	1A1	C3v
276	CH3NC	methyl isocyanide	1A1	C3v
277	NHCHNH2	aminomethanimine	1A	C1
278	C2H5N	Aziridine	1A'	C1
279	CH3CH2NH2	Ethylamine	1A'	Cs
280	CH3NHCH3	Dimethylamine	1A'	Cs
281	Li2S	dilithium sulfide	1ΣG	D∞h
282	Li2S	dilithium sulfide	1A1	C2v
283	BO2	Boron dioxide	2A'	D∞h
284	N2O	Nitrous oxide	1Σ	C∞v
285	NNS	Nitrogen sulfide	1Σ	C∞v
286	CO2	Carbon dioxide	1Σg	D∞h
287	OCS	Carbonyl sulfide	1Σ	C∞v
288	CS2	Carbon disulfide	1Σg	D∞h
289	SiS2	Silicon disulfide	1ΣG	D∞h
290	NO2	Nitrogen dioxide	2A1	C2v
291	NSO	sulfinyl amidogen
292	SNO	Nitrogen oxide sulfide
293	O3	Ozone	1A1	Cs
294	SO2	Sulfur dioxide	1A1	C2v
295	S3	Sulfur trimer	1A1	C2v
296	S3	Sulfur trimer
297	S3+	Sulfur trimer cation	2B2	C2v
298	HCCO	ketenyl radical	2A"	Cs
299	HCNO	fulminic acid	1Σ	C∞v
300	HNCO	Isocyanic acid	1A'	Cs
301	HOCN	cyanic acid	1A'	Cs
302	HOCO	Hydrocarboxyl radical	1A'	cis
303	HOCO	Hydrocarboxyl radical	1A'	trans
304	HNO2	Nitrous acid	1A'	Cs
305	CH2CO	Ketene	1A1	C2v
306	HCCOH	ethynol	1A'	Cs
307	CH2CS	Thioketene
308	CH2O2	Dioxirane	1A1	C2v
309	HCOOH	Formic acid	1A'	Cs
310	HSSSH	trisulfane	1A	C2
311	HSSSH	trisulfane	1A'	Cs
312	CH3CO	Acetyl radical	2A'	Cs
313	CHONH2	formamide	1A'	Planar
314	C2H4O	Ethylene oxide	1A1	C2v
315	CH2CHOH	ethenol	1A'	Cs
316	CH3CHO	Acetaldehyde	1A'	Cs
317	C2H4S	Thiirane	1A1	C2v
318	CH3CHS	Thioacetaldehyde	1A'	C1
319	CH3OOH	Methyl peroxide	1A	C1
320	CH3SSH	Hydrogen methyl disulfide
321	H2OH2CO	water formaldehyde dimer	1A	C1
322	CH3CH2OH	Ethanol	1A'	Cs
323	CH3OCH3	Dimethyl ether	1A1	C2v
324	CH3CH2SH	ethanethiol	1A'	Cs
325	CH3OHH2O	methanol water dimer	1A'	C1
326	FCN	Cyanogen fluoride	1Σ	C∞v
327	FNO	Nitrosyl fluoride	1A'	Cs
328	FNS	Thionitrosyl fluoride	1A'	Cs
329	FSN	Thiazyl fluoride	1A'	Cs
330	OPCl	Phosphorus oxychloride
331	CF2	Difluoromethylene	1A1	D∞h
332	GeCl2	Germanium dichloride	1A1	C2v
333	FOO	Dioxygen monofluoride radical	2A"	Cs
334	OClO	Chlorine dioxide	2B1	D∞h
335	ClSO	Sulfur chloride oxide	2A"	Cs
336	NF2	Difluoroamino radical	2B1	C2v
337	FClO	chlorosyl fluoride	1A'	Cs
338	F2O	Difluorine monoxide	1A1	C2v
339	ClOF	Chlorine hypofluorite	1A'	Cs
340	SF2	sulfur difluoride	1A1	C2v
341	SCl2	Sulfur dichloride	1A1	C2v
342	SeCl2	Selenium Dichloride
343	SBr2	Sulfur dibromide
344	SeBr2	Selenium dibromide
345	HCCF	Fluoroacetylene	1Σ	C∞v
346	HFCO	formyl fluoride	1A'	Cs
347	BHF2	Difluoroborane	1A1	C2v
348	CH2F2	Methane, difluoro-	1A1	C2v
349	CH2Cl2	Methylene chloride	1A1	C2v
350	SiH2Cl2	dichlorosilane	1A1	C2v
351	CH2CHF	Ethene, fluoro-	1A'	Cs
352	C2H5F	fluoroethane	1A'	Cs
353	C4	Carbon tetramer	3Σg	D∞h
354	C4H2	Diacetylene	1Σg	D∞h
355	C2H3CCH	1-Buten-3-yne	1A'	C1
356	H2CCCCH2	Butatriene	1Ag	D2h
357	C4H6	1-Methylcyclopropene	1A	C1
358	C4H6	Cyclobutene	1A1	C2v
359	C4H6	Methylenecyclopropane	1A1	C2v
360	CH2CCHCH3	1,2-Butadiene	1A'	C1
361	CH2CHCHCH2	1,3-Butadiene	1Ag	C2h
362	CH3CCCH3	2-Butyne	1A1'	D3h
363	CH2C(CH3)CH3	1-Propene, 2-methyl-	1A1	C2v
364	CH3CHCHCH3	2-Butene, (E)-	1Ag	C2h
365	CH3CHCHCH3	2-Butene, (Z)-	1A1	C2v
366	C(CH3)3	Tert-butyl radical	2A"	C3v
367	CH2CH(CH3)2	Isobutyl radical	2A'	C1
368	CH3CHCH2CH3	2-Butyl radical	1A	C1
369	CH3CH(CH3)CH3	Isobutane	1A1	C3v
370	CH3CH2CH2CH3	Butane	1Ag	Anti
371	C2N2	Cyanogen	1Σg	D∞h
372	C3H3N	acrylonitrile	1A'	Cs
373	C3H7N	Cyclopropylamine	1A'	C1
374	C4H8	cyclobutane	1A1	D2d
375	C2H8N2	Ethylenediamine	1Ag	C2h
376	CH3CH(NH2)CH3	2-Propanamine	1A'	Cs
377	N(CH3)3	Trimethylamine	1A1	C3v
378	B2O2	Diboron dioxide	1Σg	D∞h
379	S2N2	Disulfur dinitride	1AG	D2h
380	CS3--	Carbonotrithioate
381	NO3	Nitrogen trioxide	2A1'	all bonds equal
382	SO3	Sulfur trioxide	1A1'	D3h
383	S4	Sulfur tetramer
384	S4	Sulfur tetramer
385	S4	Sulfur tetramer
386	HNO3	Nitric acid	1A'	Cs
387	C2H2O2	Ethanedial	1Ag	C2h
388	CH3NO2	Methane, nitro-	1A'	Cs
389	CH3ONO	Methyl nitrite	1A'	C1
390	H3AlO3	Aluminum hydroxide
391	C3H4O	2-Propyn-1-ol	1A'	Cs
392	C3H4O	Cyclopropanone	1A1	C2v
393	C3H4O	Methylketene	1A'	Cs
394	CH2CHCHO	Acrolein	1A'	Cs
395	NH2CONH2	Urea	1A	C2
396	CH3COOH	Acetic acid	1A'	Cs
397	CH3OCHO	methyl formate	1A'	Cs
398	CHOCH2OH	hydroxy acetaldehyde	1A'	CS H in
399	H2OHCOOH	Water formic acid dimer 1	1A	C1
400	H2OHCOOH	Water formic acid dimer 2	1A	C1
401	HCOOHH2O	Formic acid water dimer	1A	C1
402	CH3CHNOH	Acetaldoxime	1A'	CS trans
403	CH3CONH2	Acetamide	1A'	C1
404	CH3CSNH2	Ethanethioamide
405	C3H6O	Propylene oxide	1A	C1
406	CH3CH2CHO	Propanal	1A'	Cs
407	CH3COCH3	Acetone	1A1	C2v
408	C2H6O2	1,2-Ethanediol	1Ag	C2h
409	C3H7OH	1-Propanol	1A'	Cs
410	CH3CHOHCH3	Isopropyl alcohol	1A	C1
411	C2F2	difluoroacetylene	1Σg	D∞h
412	N2F2	(Z)-Difluorodiazene	1A1	C2v
413	N2F2	Dinitrogen difluoride, (E)-	1Ag	C2h
414	CF2O	Carbonic difluoride	1A1	C2v
415	Cl2CS	Thiophosgene	1A1	C2v
416	BF3	Borane, trifluoro-	1A'	D3h
417	AlF3	Aluminum trifluoride	1A1'	D3h
418	CF3	Trifluoromethyl radical	2A1	C3v
419	ClO2F	Chloryl fluoride	1A'	Cs
420	F2SO	Thionyl Fluoride	1A'	Cs
421	FSSF	Difluorodisulfane	1A	C2
422	S2F2	Thio-thionyl fluoride	1A'	Cs
423	SSCl2	Thiothionyl chloride
424	NF3	Nitrogen trifluoride	1A1	C3v
425	SF3	Sulfur trifluoride	2A'	Cs
426	ClF3	Chlorine trifluoride	1A1'	D3h
427	ClF3	Chlorine trifluoride	1A1	C2v
428	HClO3	Chloric Acid	1A	C1
429	CHF3	Methane, trifluoro-	1A1	C3v
430	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	1A1	C2v
431	CH2CF2	Ethene, 1,1-difluoro-	1A1	C2v
432	CH3COF	Acetyl fluoride	1A'	NULL
433	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
434	C5H5-	cylopentadienyl anion	1A1'	D5h
435	C5H6	1,3-Cyclopentadiene	1A1	C2v
436	C5H6	1-Buten-3-yne, 2-methyl-	1A'	Cs
437	C5H6	3-Penten-1-yne, (E)-	1A'	Cs
438	C5H6	3-Penten-1-yne, (Z)-	1A'	Cs
439	C5H6	Bicyclo[2.1.0]pent-2-ene	1A'	Cs
440	C5H6	Cyclopropylacetylene	1A'	C1
441	C5H8	1,2-Butadiene, 3-methyl-	1A1	C2v
442	C5H8	1,2-Pentadiene	1A'	C1
443	C5H8	1,3-Butadiene, 2-methyl-	1A'	Cs
444	C5H8	1,3-Pentadiene, (E)-	1A'	C1
445	C5H8	1,3-Pentadiene, (Z)-	1A'	Cs
446	C5H8	1,4-Pentadiene	1A	C2
447	C5H8	2,3-Pentadiene	1A	C1
448	C5H8	Cyclobutane, methylene-	1A'	Cs
449	C5H8	Cyclopentene	1A'	Cs
450	C5H10	1-Butene, 2-methyl-	1A	C1
451	C5H10	2-Butene, 2-methyl-	1A'	Cs
452	C5H10	2-Pentene, (E)-	1A'	Cs
453	C5H10	2-Pentene, (Z)-	1A	C1
454	C5H10	Cyclopentane	1A	C1
455	C5H10	Cyclopropane, 1,1-dimethyl-	1A1	C1
456	C5H11	2-Methylbut-2-yl radical	1A	C1
457	C5H12	Butane, 2-methyl-	1A	C1
458	C5H12	Pentane	1A1	C2v
459	C5H12	Propane, 2,2-dimethyl-	1A1	Td
460	N2O3	Dinitrogen trioxide	1A'	Cs
461	C3H2N2	Malononitrile	1A1	Cs
462	C3H4N2	1H-Imidazole	1A'	Cs
463	C3H4N2	1H-Pyrazole	1A'	Cs
464	C4H5N	(E)-2-Butenenitrile	1A'	Cs
465	C4H5N	(Z)-2-Butenenitrile	1A'	Cs
466	C4H5N	Cyclopropanecarbonitrile	1A'	Cs
467	C4H5N	Pyrrole	1A1	C2v
468	C3H6N2	3-Aminopropionitrile	1A'	Cs
469	C5H8	Bicyclo[2.1.0]pentane	1A'	Cs
470	C5H8	Spiropentane	1A1	D2d
471	C4H9N	Cyclobutylamine	1A'	Cs
472	C4H9N	Pyrrolidine	1A'	Cs
473	C3H10N2	1,2-Diaminopropane	1A	C1
474	C(CH3)3NH2	2-Propanamine, 2-methyl-	1A	C1
475	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	1A	C1
476	C(NH2)H2CH2CH2CH3	1-Butanamine	1A'	Cs
477	CH3C(NH2)HCH2CH3	2-Butanamine	1A	C1
478	C3O2	Carbon suboxide	1ΣG	D∞h
479	H2SO4	Sulfuric acid	1A	C1
480	C3H3NO	Isoxazole	1A'	Cs
481	CH3NO3	Methyl nitrate	1A'	Cs
482	C4H4O	Furan	1A1	C2
483	C3H4O2	β–Propiolactone	1A'	Cs
484	C3H4O2	2-Propenoic acid	1A'	Cs
485	CH2CHCONH2	Acrylamide	1A	Cs
486	CH3OCH2CN	Methoxyacetonitrile	1A'	Cs
487	H2NCH2COOH	Glycine	1A'	Cs
488	C4H6O	Cyclobutanone	1A1	C2v
489	C4H6O	Furan, 2,3-dihydro-	1A	C1
490	CH2CHOCHCH2	Vinyl ether	1A1	C2v
491	CHOCHCHCH3	2-Butenal	1A'	Cs
492	C2H6N2O	Urea, methyl-	1A	C1
493	C3H6O2	1,3-Dioxolane	1A	C1
494	CH3COOCH3	methyl acetate	1A'	Cs
495	C2H6O2S	Dimethyl sulfone	1A1	C2v
496	C3H7NO	Propanamide	1A'	C1
497	C2H3OC2H5	Ethene, ethoxy-	1A	C1
498	C4H8O	Cyclobutanol	1A'	C1
499	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	1A	C1
500	CH3COCH2CH3	2-Butanone	1A	C1
501	CHOCH(CH3)CH3	Propanal, 2-methyl-	1A'	Cs
502	CHOCH2CH2CH3	Butanal	1A'	Cs
503	C3H8O2	1,3-Propanediol	1A1	C1
504	C3H8O2	Hydroperoxide, 1-methylethyl	1A	C1
505	C3H8O2	Methane, dimethoxy-	1A1	C2v
506	C3H8O2	Propylene glycol	1A	C1
507	C4H10O	1-Propanol, 2-methyl-	1A	C1
508	C4H10O	2-Butanol, (.+/-.)-	1A	C1
509	C4H10O	Ethanol, 1,1-dimethyl-	1A	C1
510	C4H10O	Ethoxy ethane	1A1	C2v
511	C4H10O	Propane, 2-methoxy-	1A'	Cs
512	FNO3	Fluorine nitrate	1A'	Cs
513	F3NO	Nitrogen trifluoride oxide	1A1	C3v
514	CF4	Carbon tetrafluoride	1A1	Td
515	CF2Cl2	difluorodichloromethane	1A1	C2v
516	SF4	Sulfur tetrafluoride	1A1	C2v
517	C2HF3	Trifluoroethylene	1A'	Cs
518	HClO4	perchloric acid	1A	Cs
519	CH3CF3	Ethane, 1,1,1-trifluoro-	1A1	C3v
520	SiH3CCl3	(trichloromethyl)silane	1A1	C3v
521	C6H4	(E)-Hexa-1,5-diyne-3-ene	1Ag	Cs
522	C6H4	(Z)-Hexa-1,5-diyne-3-ene	1A1	C2v
523	C6H5	phenyl	2A1	C2v
524	C6H6	2,4-Hexadiyne	1A1'	D3h
525	C6H6	Benzene	1A1g	D6h
526	C6H8	(E)-hexa-1,3,5-triene	1Ag	Cs
527	C6H8	(E)-hexa-2,3,4-triene	1A'	C2h
528	C6H8	(Z)-hexa-1,3,5-triene	1A1	C2v
529	C6H8	(Z)-hexa-2,3,4-triene	1A1	C2v
530	C6H8	1,4-Cyclohexadiene	1Ag	C2v
531	C6H8	3-Methylenecyclopentene	1A	C1
532	C6H8	Bicyclo[2.1.1]hex-2-ene	1A1	C2v
533	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	1Ag	D2h
534	C6H8	Bicyclo[3.1.0]hex-2-ene	1A	C1
535	C6H10	1,3-Hexadiene, (E)-	1A'	Cs
536	C6H10	1,3-Hexadiene, (Z)-	1A'	Cs
537	C6H10	1,4-Hexadiene, (E)-	1A	C1
538	C6H10	1,4-Hexadiene, (Z)-	1A	C1
539	C6H10	1-Butyne, 3,3-dimethyl-	1A1	C3v
540	C6H10	1-Hexyne	1A'	Cs
541	C6H10	2,4-Hexadiene, (E,E)-	1Ag	C2h
542	C6H10	2,4-Hexadiene, (E,Z)-	1A'	Cs
543	C6H10	2,4-Hexadiene, (Z,Z)-	1A'	Cs
544	C6H10	2-Hexyne	1A'	C1
545	C6H10	3-Hexyne	1A1	C2v
546	C6H10	cyclohexene	1A	C2
547	C6H10	Cyclopentene, 1-methyl-	1A	C1
548	C6H10	Cyclopentene, 3-methyl-	1A	C1
549	C6H10	Cyclopentene, 4-methyl-	1A	C1
550	C6H12	(E)-3-methylpent-2-ene	1A	C1
551	C6H12	(Z)-3-methylpent-2-ene	1A	C1
552	C6H12	3-methylenepentane	1A	C1
553	C6H12	Cyclohexane	1A1g	Chair
554	C6H12	Cyclopentane, methyl-	1A	C1
555	C6H12	Ethylcyclobutane	1A	C1
556	C6H12	hex-1-ene	1A'	Cs
557	C6H14	Butane, 2,2-dimethyl-	1A'	C1
558	C6H14	Butane, 2,3-dimethyl-	1Ag	C2h
559	C6H14	Hexane	1Ag	C2h
560	C6H14	Pentane, 2-methyl-	1A	C1
561	C6H14	Pentane, 3-methyl-	1A'	Cs
562	C4N2	2-Butynedinitrile	1Σg	D∞h
563	C3H3N3	1,3,5-Triazine	1A1'	D3h
564	CH3N5	5-Aminotetrazole	1A	C1
565	C4H4N2	1,3-Diazine	1A1	C2v
566	C4H4N2	Pyrazine	1Ag	D2h
567	C4H4N2	Pyridazine	1A1	C2v
568	C4H4N2	Succinonitrile	1Ag	C2h
569	C2H4N4	1H-Tetrazole, 1-methyl-	1A'	Cs
570	C2H4N4	1H-Tetrazole, 5-methyl-	1A'	C1
571	C2H4N4	2H-Tetrazole, 2-methyl-	1A	C1
572	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	1A'	Cs
573	C5H5N	Pyridine	1A1	C2v
574	C4H6N2	1H-Imidazole, 2-methyl-	1A'	Cs
575	C5H7N	(E)-2-Pentenenitrile	1A'	Cs
576	C5H7N	(E)-3-Pentenenitrile	1A	C1
577	C5H7N	(Z)-2-Pentenenitrile	1A	C1
578	C5H7N	1H-Pyrrole, 1-methyl-	1A	C1
579	C5H7N	Cyclobutanecarbonitrile	1A'	Cs
580	C5H9N	1,2,3,6-Tetrahydropyridine	1A	C1
581	C5H9N	Butanenitrile, 2-methyl-	1A	C1
582	C5H9N	Pentanenitrile	1A'	Cs
583	C5H9N	Propanenitrile, 2,2-dimethyl-	1A1	C1
584	C5H11N	Cyclopentanamine	1A'	Cs
585	C5H11N	Piperidine	1A'	NH equatorial
586	C5H11N	Piperidine	1A'	NH axial
587	C4H12N2	1,2-Butanediamine	1A	C1
588	C4H12N2	2-Methyl-1,2-propanediamine	1A'	C1
589	N2O4	Dinitrogen tetroxide	1Ag	D2d
590	C2H3NO3	Oxamic acid	1A'	H out
591	C4H4O2	2-Oxetanone, 4-methylene-	1A	C1
592	C2H4N2O2	Oxalamide	1Ag	C2h
593	C4H5NO	3-Methylisoxazole	1A	C1
594	C4H5NO	Isoxazole, 5-methyl-	1A	C1
595	C4H6O2	2-Propenoic acid, methyl ester	1A	C1
596	C2H6N2O2	(E)-Azodioxymethane	1Ag	C2h
597	C2H6N2O2	Dimethylnitroamine	1A	C1
598	C3H6O3	1,3,5-Trioxane	1A1	C1
599	C4H7NO	2-Pyrrolidinone	1A	C1
600	C4H7NO	Methacrylamide	1A	C1
601	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	1A'	C1
602	CH3CH(CH3)ONO	Isopropyl nitrite	1A	C1
603	CH3CH(NH2)COOH	Alanine	1A	C1
604	CH3NHCH2COOH	Sarcosine	1A	C1
605	NH2CH2CH2COOH	β–alanine	1A	C1
606	NH2COOC2H5	Urethane	1A	C1
607	C5H8O	2H-Pyran, 3,4-dihydro-	1A	C1
608	C5H8O	Furan, 2,3-dihydro-5-methyl-	1A	C1
609	N(CH3)2CONH2	Urea, N,N-dimethyl-	1A	C1
610	NH2CONHC2H5	Urea, ethyl-	1A	C1
611	C4H8O2	1,3-Dioxolane, 2-methyl-	1A	C1
612	C4H8O2	1,4-Dioxane	1Ag	C2h
613	C4H8O2	Ethene, 1,1-dimethoxy-	1A1	C2v
614	C3H8O3	1,2,3-Propanetriol	1A	C1
615	C4H9NO	Butanamide	1A	C1
616	C4H9NO	Propanamide, 2-methyl-	1A	C1
617	C5H10O	2-Butanone, 3-methyl-	1A	C1
618	C5H10O	2H-Pyran, tetrahydro-	1A'	C1
619	C5H10O	2-Pentanone	1A	C1
620	C5H10O	Cyclopentanol	1A	C1
621	C5H10O	Oxetane, 3,3-dimethyl-	1A'	Cs
622	C5H10O	Pentanal	1A'	C1
623	C4H10O2	1,1-Dimethoxyethane	1A'	Cs
624	C4H10O2	1,3-Butanediol	1A	C1
625	C4H10O2	1,4-Butanediol	1Ag	C2h
626	C4H10O2	Ethane, 1,2-dimethoxy-	1Ag	C2h
627	C4H11NO	Diethylhydroxylamine	1A'	Cs
628	C5H12O	1-Butanol, 2-methyl-	1A	C1
629	C5H12O	1-Butanol, 3-methyl-	1A'	Cs
630	C5H12O	1-Pentanol	1A'	Cs
631	C5H12O	2-Butanol, 3-methyl-	1A	C1
632	C5H12O	2-Pentanol	1A	C1
633	C5H12O	3-Pentanol	1A	C1
634	C5H12O	Butane, 1-methoxy-	1A'	Cs
635	C5H12O	Propane, 1-ethoxy-	1A'	Cs
636	C5H12O	Propane, 2-methoxy-2-methyl-	1A'	C1
637	B2F4	Diboron tetrafluoride	1AG	D2h
638	C2F4	Tetrafluoroethylene	1Ag	D2h
639	CF3OF	Trifluoromethylhypofluorite	1A'	Cs
640	SiF5-	silicon pentafluoride anion
641	SOF4	Sulfur tetrafluoride oxide	1A1	C2v
642	PF5	Phosphorus pentafluoride	1A1'	D3h
643	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
644	C6H5CH3	toluene	1A'	Cs
645	C7H12	Norbornane	1A1	C2v
646	C7H16	2-methylhexane	1A	C1
647	C7H16	heptane	1A1	C2v
648	C6H5NH2	aniline	1A'	Cs
649	C5H5NO	2(1H)-Pyridinone	1A'	Cs
650	C5H5NO	2(3H)-Pyridinone	1A	Cs
651	C5H5NO	2(5H)-Pyridinone	1A'	Cs
652	C5H5NO	2-Pyridinol	1A'	Cs
653	C5H5NO	3(2H)-Pyridinone	1A'	Cs
654	C5H5NO	3(4H)-Pyridinone	1A'	C1
655	C5H5NO	3(6H)-Pyridinone	1A'	Cs
656	C5H5NO	3-Pyridinol	1A'	Cs
657	C5H5NO	4(1H)-Pryidinone	1A'	Cs
658	C5H5NO	4(3H)-Pryidinone	1A'	Cs
659	C5H5NO	4-Pyridinol	1A'	Cs
660	C6H5OH	phenol	1A'	Cs
661	C6H10O	cyclohexanone	1A'	Cs
662	PF6-	Hexafluorophosphate ion	1A1G	Oh
663	SF5Cl	sulfur chloropentafluoride	1A1	C4v
664	C6H5F	Fluorobenzene	1A1	C2v
665	C6H5CCH	phenylacetylene	1A1	C2v
666	C6H5CHCH2	Styrene	1A'	Cs
667	C8H8	cubane	1A1G	Oh
668	C8H8	cyclooctatetraene	1A1	D2d
669	C6H5CH2CH3	Ethylbenzene	1A'	Cs
670	C6H5CN	phenyl cyanide	1A1	C2v
671	C6H5CHO	benzaldehyde	1A'	Cs
672	C6H5OCH3	Anisole	1A'	Cs
673	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	1AG	D2h
674	C2F6	hexafluoroethane	1A1g	D3d
675	C6H5NO2	Nitrobenzene	1A1	C2v
676	C6H5COOH	benzoic acid	1A'	Cs
677	C10H8	naphthalene	1Ag	D2h
678	C10H16	adamantane	1A1	Td

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	H2+	Hydrogen cation	h2+
6	H3+	hydrogen trimer cation	h3+
7	He-	Helium atom anion	he-
8	He+	Helium atom cation	he+
9	HeH	Helium hydride	heh
10	HeH+	Helium hydride cation	heh+
11	Li-	Lithium atom anion	li-
12	Li+	Lithium atom cation	li+
13	Na-	Sodium atom anion	na-
14	Na+	Sodium atom cation	na+
15	K	Potassium atom	k
16	K-	Potassium atom anion	k-
17	K+	Potassium atom cation	k+
18	Cu	Copper atom	cu
19	Cu-	Copper atom anion	cu-
20	Cu+	Copper atom cation	cu+
21	NaH-	sodium hydride anion	nah-
22	NaH+	sodium hydride cation	nah+
23	KH	Potassium hydride	kh
24	KH+	Potassium hydrogen cation	kh+
25	CuH	Copper monohydride	cuh
26	Be-	Beryllium atom anion	be-
27	Be+	Beryllium atom cation	be+
28	Mg-	Magnesium atom anion	mg-
29	Mg+	Magnesium atom cation	mg+
30	Ca	Calcium atom	ca
31	Ca-	Calcium atom anion	ca-
32	Ca+	Calcium atom cation	ca+
33	Zn	Zinc atom	zn
34	Zn-	Zinc atom anion	zn-
35	Zn+	Zinc atom cation	zn+
36	CaH	Calcium monohydride	cah
37	CaH+	Calcium monohydride cation	cah+
38	TiH	Titanium monohydride	tih
39	ZnH	Zinc monohydride	znh
40	ZnH+	Zinc, protonated	znh+
41	BeH2+	Beryllium dihydride cation	beh2+
42	CaH2	Calcium Hydride	cah2
43	ZnH2	Zinc hydride	znh2
44	B-	Boron atom anion	b-
45	B+	Boron atom cation	b+
46	Al	Aluminum atom	al
47	Al-	Aluminum atom anion	al-
48	Al+	Aluminum atom cation	al+
49	Sc	Scandium atom	sc
50	Sc+	Scandium cation	sc+
51	Ga	Gallium atom	ga
52	Ga-	Gallium atom anion	ga-
53	Ga+	Gallium atom cation	ga+
54	AlH-	aluminum monohydride anion	alh-
55	AlH+	aluminum monohydride cation	alh+
56	ScH	Scandium monohydride	sch
57	ScH+	Scandium monohydride cation	sch+
58	GaH	Gallium monohydride	gah
59	GaH+	Gallium monohydride cation	gah+
60	BH2-	boron dihydride anion	bh2-
61	BH2+	Boron dihydride cation	bh2+
62	AlH2	aluminum dihydride	alh2
63	AlH2-	aluminum dihydride anion	alh2-
64	AlH2+	aluminum dihydride cation	alh2+
65	BH3-	boron trihydride anion	bh3-
66	BH3+	boron trihydride cation	bh3+
67	AlH3	aluminum trihydride	alh3
68	AlH3-	aluminum trihydride anion	alh3-
69	AlH3+	aluminum trihydride cation	alh3+
70	ScH3	Scandium trihydride	sch3
71	GaH3	Gallium trihydride	gah3
72	BH4	borohydride	bh4
73	BH4-	borohydride anion	bh4-
74	AlH4-	Aluminum tetrahydride anion	alh4-
75	C-	Carbon atom anion	c-
76	C+	Carbon atom cation	c+
77	Si-	Silicon atom anion	si-
78	Si+	Silicon atom cation	si+
79	Ti	Titanium atom	ti
80	Ti-	Titanium atom anion	ti-
81	Ti+	Titanium atom cation	ti+
82	Ge	Germanium atom	ge
83	Ge-	Germanium anion	ge-
84	Ge+	Germanium cation	ge+
85	Sn	Tin atom	sn
86	Sn+	Tin cation	sn+
87	SiH	Silylidyne	sih
88	SiH-	silicon monohydride anion	sih-
89	SiH+	silicon monohydride cation	sih+
90	GeH	germylidene	geh
91	GeH+	Germaniun monohyrdide cation	geh+
92	SiH2-	silicon dihydride anion	sih2-
93	SiH2+	silicon dihydride cation	sih2+
94	GeH2	germylene	geh2
95	GeH2-	germylene anion	geh2-
96	SiH3-	Silyl anion	sih3-
97	SiH3+	Silyl cation	sih3+
98	GeH3	Germyl radical	geh3
99	GeH3+	germyl cation	geh3+
100	CD4	methane-d4	cd4
101	CH2D2	methane-d2	ch2d2
102	CH3D	methane-d	ch3d
103	CH4-	Methane anion	ch4-
104	CH4+	Methane cation	ch4+
105	CHD3	methane-d3	chd3
106	SiH2D2	silane-d2	sih2d2
107	SiH4+	Silane cation	sih4+
108	GeH4	Germane	geh4
109	SnH4	Stannane	snh4
110	SiH5+	Silane, protonated	sih5+
111	N	Nitrogen atom	n
112	N-	Nitrogen atom anion	n-
113	N+	Nitrogen atom cation	n+
114	P-	Phosphorus atom anion	p-
115	P+	Phosphorus atom cation	p+
116	V	Vanadium atom	v
117	V+	Vanadium atom cation	v+
118	As	Arsenic atomic	as
119	As-	Arsenic anion	as-
120	As+	Arsenic cation	as+
121	Sb	Antimony atom	sb
122	PH	phosphorus monohydride	ph
123	PH-	phosphorus monohydride anion	ph-
124	PH+	phosphorus monohydride cation	ph+
125	AsH	Arsenic monohydride	ash
126	AsH+	Arsenic monohydride cation	ash+
127	SbH	Antimony monohydride	sbh
128	NH2+	Amino cation	nh2+
129	PH2	Phosphino radical	ph2
130	PH2-	Phosphino anion	ph2-
131	PH2+	Phosphino cation	ph2+
132	AsH2	Arsenic dihydride	ash2
133	AsH2+	Arsenic dihydride cation	ash2+
134	NH3-	Ammonia anion	nh3-
135	NH3+	ammonia cation	nh3+
136	PH3+	Phosphine cation	ph3+
137	AsH3	Arsine	ash3
138	AsH3+	Arsine cation	ash3+
139	SbH3	Stibine	sbh3
140	AsH4+	Arsonium	ash4+
141	NH4	Ammonium radical	nh4
142	NH4+	ammonium cation	nh4+
143	PH4	Phosphoranyl radical	ph4
144	O-	Oxygen atom anion	o-
145	O+	Oxygen atom cation	o+
146	S-	Sulfur atom anion	s-
147	S+	Sulfur atom cation	s+
148	Cr	Chromium atom	cr
149	Se	Selenium atom	se
150	Se-	Selenium atom anion	se-
151	Se+	Selenium atom cation	se+
152	Te	Tellurium atom	te
153	Te+	Tellurium atom cation	te+
154	OH-	hydroxide anion	oh-
155	DS	Mercapto-d	ds
156	HS-	mercapto anion	sh-
157	HS+	sulfur monohydride cation	sh+
158	CrH	Chromium hydride	crh
159	CrH+	Chromium hydride cation	crh+
160	HSe	Selenium monohydride	hse
161	HSe-	selenium monohydride anion	hse-
162	HSe+	selenium monohydride cation	hse+
163	TeH	Telluryl radical	teh
164	H2S-	Hydrogen sulfide anion	h2s-
165	H2Se	Hydrogen selenide	h2se
166	H2Se+	Hydrogen selenide cation	h2se+
167	H2Te	Hydrogen Telluride	h2te
168	H3Se+	Hydrogen Selenide, protonated	h3se+
169	F-	Fluorine atom anion	f-
170	F+	Fluorine atom cation	f+
171	Cl-	Chlorine atom anion	cl-
172	Cl+	Chlorine atom cation	cl+
173	Mn	Manganese atom	mn
174	Br	Bromine atom	br
175	Br-	Bromine atom anion	br-
176	Br+	Bromine atom cation	br+
177	I	Iodine atom	iodine
178	I-	Iodine atom anion	iodine-
179	I+	Iodine atom cation	iodine+
180	DCl	Hydrochloric acid-d	dcl
181	HCl-	hydrogen chloride anion	hcl-
182	HBr	hydrogen bromide	hbr
183	HBr-	hydrogen bromide anion	hbr-
184	HBr+	hydrogen bromide cation	hbr+
185	HI	Hydrogen iodide	hi
186	HI+	Hydrogen iodide cation	hi+
187	H2F+	dihydrogen fluoride cation	h2f+
188	H2Br+	protonated hydrogen bromide	h2br+
189	H2I+	Iodonium	h2i+
190	Ne	Neon atom	ne
191	Ne-	Neon atom anion	ne-
192	Ne+	Neon atom cation	ne+
193	Ar	Argon atom	ar
194	Ar-	Argon atom anion	ar-
195	Ar+	Argon atom cation	ar+
196	Fe	Iron atom	fe
197	Kr	Krypton atom	kr
198	Kr+	Krypton cation	kr+
199	Xe	Xenon atom	xe
200	HeLi+	Helium Lithium cation	heli+
201	NeH	neon hydrogen	neh
202	ArH+	Argon hydride cation	arh+
203	KrH+	Protonated Krypton	krh+
204	XeH+	Xenon, protonated	xeh+
205	H2Ar	H2 Ar dimer	h2ar
206	Co	Cobalt atom	cobalt
207	Ni	Nickel atom	ni
208	Li2+	lithium diatomic cation	li2+
209	NaLi+	lithium sodium cation	lina+
210	LiK	Lithium Potassium	lik
211	NaK	Sodium Potassium	nak
212	NaK+	Sodium Potassium diatomic cation	nak+
213	K2	Potassium diatomic	k2
214	Cu2	Copper diatomic	cu2
215	LiBe	Lithium Beryllium	libe
216	LiMg	Lithium magnesium	limg
217	NaBe	Sodium Beryllium	nabe
218	NaMg	Sodium Magnesium	namg
219	Be2	Beryllium diatomic	be2
220	BeMg	Beryllium Magnesium	bemg
221	Ca2	Calcium diatomic	ca2
222	LiB	Lithium boride	lib
223	LiAl	Lithium Aluminum	lial
224	NaAl	Sodium aluminum	naal
225	BeB	Beryllium monoboride	beb
226	B2+	Boron diatomic cation	b2+
227	Al2	Aluminum diatomic	al2
228	Al2-	aluminum diatomic anion	al2-
229	Al2+	aluminum diatomic cation	al2+
230	BGa	Boron Gallium	bga
231	AlGa	Aluminum Gallium	alga
232	Ga2	Gallium diatomic	ga2
233	HBBH	Diborane(2)	hbbh
234	LiBH4	Lithium borohydride	libh4
235	B2H4	Diborane(4) D2d	b2h4
236	HBHHBH	Diborane(4) C2V	hbhhbh
237	B2H6+	Diborane cation	b2h6
238	Al2H6	dialane	al2h6
239	Ga2H6	digallane	ga2h6
240	LiC	Lithium Carbide	lic
241	BeC	Beryllium Carbide	bec
242	CaC	Calcium monocarbide	cac
243	BC	boron monocarbide	bc
244	BSi	Boron silicide	bsi
245	C2+	carbon diatomic cation	c2+
246	SiC-	silicon monocarbide anion	sic-
247	SiC+	silicon monocarbide cation	sic+
248	Si2	Silicon diatomic	si2
249	Si2-	silcon diatomic anion	si2-
250	Si2+	silcon diatomic cation	si2+
251	GeC	Germanium monocarbide	gec
252	SiGe	Silicon Germanium	sige
253	Ge2	Germanium diatomic	ge2
254	C2H-	Ethynyl anion	c2h-
255	C2H+	Ethynyl cation	c2h+
256	ZnCH2	Zinc methylene	znch2
257	H2CC-	vinylidene anion	h2cc-
258	HCCH-	acetylene anion	c2h2-
259	Si2H2	disilyne	si2h2
260	CH3Li	methyl lithium	ch3li
261	CuCH3	monomethyl copper	cuch3
262	ZnCH3	Zinc monomethyl	znch3
263	CH2BH	methyleneborane	ch2bh
264	C2H3-	vinyl anion	c2h3-
265	C2H3+	vinyl cation	c2h3+
266	C2H4-	Ethylene anion	c2h4-
267	C2H4+	Ethylene cation	c2h4+
268	CH3CH	methylmethylene	ch3ch
269	CH2SiH2	silaethylene	ch2sih2
270	Si2H4	Disilene	si2h4
271	CH3BH2	methylborane	ch3bh2
272	C2H5-	Ethyl anion	c2h5-
273	C2H5+	Ethyl cation	c2h5+
274	C2H6+	ethane cation	c2h6+
275	CH3SiH3	methyl silane	ch3sih3
276	GeH3CH3	methyl germane	geh3ch3
277	C2H7+	Ethane, protonated	c2h7+
278	LiN	Lithium Nitride	lin
279	LiN+	Lithium Nitride cation	lin+
280	LiP	Lithium monophosphide	lip
281	BeN	Beryllium mononitride	ben
282	BeN+	Beryllium mononitride cation	ben+
283	MgN	Magnesium Nitride	mgn
284	AlN-	aluminum mononitride anion	aln-
285	AlN+	aluminum mononitride cation	aln+
286	BP	Boron monophosphide	bp
287	AlP	Aluminum monophosphide	alp
288	GaN	Gallium mononitride	gan
289	GaP	Gallium monophosphide	gap
290	GaAs	Gallium arsenide	gaas
291	CP	Carbon monophosphide	cp
292	CP-	carbon monophosphide anion	cp-
293	CP+	carbon monophosphide cation	cp+
294	SiN	Silicon nitride	sin
295	SiN-	silicon mononitride anion	sin-
296	SiN+	silicon mononitride cation	sin+
297	SiP-	Silicon monophosphide anion	sip-
298	SiP+	Silicon monophosphide cation	sip+
299	TiN	Titanium mononitride	tin
300	N2+	diatomic nitrogen cation	n2+
301	PN	Phosphorus mononitride	pn
302	PN-	phosphorus nitride anion	pn-
303	PN+	phosphorus nitride cation	pn+
304	P2-	phosphorus diatomic anion	p2-
305	P2+	phosphorus diatomic cation	p2+
306	AsN	Arsenic mononitride	asn
307	AsP	Arsenic monophosphide	asp
308	SbN	Antimony nitride	sbn
309	As2	Arsenic diatomic	as2
310	HNB	hydrogen nitrogen boron	hnb
311	HCN-	Hydrogen cyanide anion	hcn-
312	HNC+	hydrogen isocyanide cation	hnc+
313	HCP	Phosphaethyne	hcp
314	HCP+	Phosphaethyne cation	hcp+
315	NNH+	Dinitrogen monohydride cation	nnh+
316	HPO	Hydrogen phosphorus oxide	hpo
317	HPO+	Hydrogen phosphorus oxide cation	hpo+
318	LiNH2	lithium amide	linh2
319	HBNH	Boranimine	hbnh
320	CNH2	Aminomethylidyne radical	cnh2
321	CNH2+	N-protonated hydrogen isocyanide	cnh2+
322	H2CN	Dihydrogen cyanide radical	h2cn
323	H2CN+	hydrocyanonium cation	h2cn+
324	HCNH	methyleneazane	hcnh
325	HCNH+	N-protonated HCN	hcnh+
326	H2NN	Isodiazene	h2nn
327	N2H2	(Z)-Diazene	n2h2z
328	N2H2+	trans-diazene cation	n2h2+
329	CH2NH+	Methanimine cation	ch2nh+
330	CHNH2	aminomethylene	chnh2
331	CHNH2+	Aminocarbene cation	chnh2+
332	BH2NH2	Boranamine	bh2nh2
333	N2H4+	hydrazine cation	n2h4+
334	P2H4	Diphosphine	p2h4
335	CH3NH2+	methyl amine cation	ch3nh2+
336	CH3PH2	Methyl phosphine	ch3ph2
337	SiH3NH2	Silane, amino	sih3nh2
338	N2H5+	protonated hydrazine	n2h5+
339	BH3NH3	borane ammonia	bh3nh3
340	CH3NH3	methyl ammonium radical	ch3nh3
341	CH3NH3+	protonated methylamine	ch3nh3+
342	CH3PH3+	methyl phosphine, protonated	ch3ph3+
343	N2H7+	ammonia ammonium dimer	n2h7+
344	LiO	lithium oxide	lio
345	LiS+	Lithium sulfide cation	lis+
346	NaO+	sodium oxide cation	nao+
347	KO	Potassium monoxide	ko
348	KO+	Potassium monoxide cation	ko+
349	NaS	Sodium sulfide	nas
350	CuO	Copper Monoxide	cuo
351	LiSe	Lithium monoselenide	lise
352	BeS	beryllium sulfide	bes
353	CaO	Calcium monoxide	cao
354	MgS	magnesium sulfide	mgs
355	MgS-	magnesium sulfide anion	mgs-
356	MgS+	magnesium sulfide cation	mgs+
357	ZnO	zinc monoxide	zno
358	ZnS	Zinc sulfide	zns
359	BeS-	Beryllium monosulfide anion	bes-
360	BeS+	Beryllium monosulfide cation	bes+
361	AlO	Aluminum monoxide	alo
362	AlO-	Aluminum monoxide anion	alo-
363	AlO+	aluminum monoxide cation	alo+
364	BS	boron sulfide	bs
365	BS-	boron monosulfide anion	bs-
366	BS+	boron monosulfide cation	bs+
367	AlS	Aluminum sulfide	als
368	AlS-	aluminum monosulfide anion	als-
369	AlS+	aluminum monosulfide cation	als+
370	ScO	Scandium monoxide	sco
371	GaO	Gallium monoxide	gao
372	GaS	Gallium monosulfide	gas
373	CS	carbon monosulfide	cs
374	CS-	carbon monosulfide anion	cs-
375	CS+	carbon monosulfide cation	cs+
376	SiO	Silicon monoxide	sio
377	SiO-	silicon monoxide anion	sio-
378	SiO+	silicon monoxide cation	sio+
379	SiS	silicon monosulfide	sis
380	SiS-	silicon monosulfide anion	sis-
381	SiS+	silicon monosulfide cation	sis+
382	TiO	Titanium monoxide	tio
383	CSe	Carbon monoselenide	cse
384	CSe-	Carbon monoselenide anion	cse-
385	CSe+	Carbon monoselenide cation	cse+
386	GeO+	Germanium monoxide cation	geo+
387	GeS	Germanium monosulfide	ges
388	SiSe+	Silicon Monoselenide cation	sise+
389	GeSe	Germanium monoselenide	gese
390	NO+	nitric oxide cation	no+
391	NS-	nitrogen sulfide anion	ns-
392	NS+	nitrogen sulfide cation	ns+
393	PO-	phosphorus monoxide anion	po-
394	PO+	phosphorus monoxide cation	po+
395	PS-	phosphorus monosulfide anion	ps-
396	PS+	phosphorus monosulfide cation	ps+
397	VO	Vanadium monoxide	vo
398	AsO	Arsenic monoxide	aso
399	NSe	Nitrogen monoselenide	nse
400	AsS	Arsenic monosulfide	ass
401	PSe	Phosphorus monoselenide	pse
402	AsSe	Arsenic monoselenide	asse
403	O2--	dioxygen dianion	o2--
404	O2+	diatomic oxygen cation	o2+
405	SO-	sulfur monoxide anion	so-
406	SO+	sulfur monoxide cation	so+
407	S2-	sulfur diatomic anion	s2-
408	SeO	Selenium monoxide	seo
409	SeO-	selenium monoxide anion	seo-
410	SeO+	selenium monoxide cation	seo+
411	SeS	Selenium monosulfide	ses
412	SeS-	selenium monosulfide anion	ses-
413	SeS+	selenium monosulfide cation	ses+
414	TeO	Tellurium monoxide	teo
415	Se2-	selenium diatomic anion	se2-
416	Se2+	selenium diatomic cation	se2+
417	Te2	Tellurium diatomic	te2
418	NaOH	sodium hydroxide	naoh
419	KOH	Potassium hydroxide	koh
420	CaOH	Calcium monohydroxide	caoh
421	HBS	hydrogen boron sulfide	hbs
422	COH	Hydroxymethylidyne	coh
423	COH+	Carbon Monoxide, protonated	coh+
424	HCO-	formyl anion	hco-
425	HCO+	Formyl cation	hco+
426	HCS	Thioformyl radical	hcs
427	HCS-	Thioformyl anion	hcs-
428	HCS+	Thioformyl cation	hcs+
429	HNO-	Nitrosyl hydride anion	hno-
430	HNO+	Nitrosyl hydride cation	hno+
431	NOH	Hydroxyimidogen	noh
432	NOH+	O-protonated nitric oxide	noh+
433	HNS	Sulfur imide	hns
434	HNS-	Sulfur imide anion	hns-
435	HO2-	Hydroperoxy anion	ho2-
436	HO2+	Hydroperoxy cation	ho2+
437	HS2	Thiosulfeno radical	hs2
438	H2CO-	formaldehyde anion	h2co-
439	HOCH	hydroxycarbene	hoch
440	H2CS-	thioformaldehyde anion	h2cs-
441	H2CS+	thioformaldehyde cation	h2cs+
442	H2NO	nitroxide	h2no
443	H2O2+	Hydrogen peroxide cation	h2o2+
444	H2OO	water oxide	h2oo
445	HOSH	hydrogen thioperoxide	hosh
446	H2Se2	hydrogen diselenide	h2se2
447	CH3O-	methoxy anion	ch3o-
448	CH3O+	Methoxy cation	ch3o+
449	CH3S	thiomethoxy	ch3s
450	NH2OH+	Hydroxylamine cation	nh2oh+
451	NH3O	Ammonia Oxide	nh3o
452	NH2SH	Thiohydroxylamine	nh2sh
453	NH3S	sulfidoazane	nh3s
454	H3O2+	hydrogen peroxide, protonated	h3o2+
455	CH3OH-	Methyl alcohol anion	ch3oh-
456	CH3OH+	Methyl alcohol cation	ch3oh+
457	CH3SH+	Methanethiol cation	ch3sh+
458	SiH3OH	silanol	sih3oh
459	CH3SeH	Methane selenol	ch3seh
460	NH2OH2+	protonated hydroxylamine	nh2oh2+
461	NH3OH+	N-protonated hydroxylamine	nh3oh+
462	CH3OH2+	Methanol, protonated	ch3oh2+
463	H5O2+	Dihydroxonium ion	h5o2+
464	LiCl-	lithium chloride anion	licl-
465	LiCl+	lithium chloride cation	licl+
466	KF	Potassium Fluoride	kf
467	NaCl	Sodium Chloride	nacl
468	NaCl-	sodium chloride anion	nacl-
469	NaCl+	sodium chloride cation	nacl+
470	KCl	Potassium Chloride	kcl
471	CuF	Copper monofluoride	cuf
472	LiBr	Lithium Bromide	libr
473	LiBr-	lithium bromide anion	libr-
474	LiBr+	lithium bromide cation	libr+
475	CuCl	Copper monochloride	cucl
476	NaBr	Sodium Bromide	nabr
477	NaBr-	sodium bromide anion	nabr-
478	NaBr+	sodium bromide cation	nabr+
479	KBr	Potassium Bromide	kbr
480	LiI	Lithium Iodide	lii
481	NaI	Sodium Iodide	nai
482	KI	Potassium Iodide	ki
483	BeF	Beryllium monofluoride	bef
484	BeF+	Beryllium monofluoride cation	bef+
485	BeCl	beryllium monochloride	becl
486	CaF	Calcium monofluoride	caf
487	MgCl	magnesium monochloride	mgcl
488	MgCl-	magnesium monochloride anion	mgcl-
489	MgCl+	magnesium monochloride cation	mgcl+
490	CaCl	calcium monochloride	cacl
491	TiCl	Titanium Monochloride	ticl
492	ZnF	Zinc monofluoride	znf
493	ZnF-	Zinc monofluoride anion	znf-
494	ZnF+	Zinc monofluoride cation	znf+
495	ZnCl	Zinc monochloride	zncl
496	CaBr	Calcium monobromide	cabr
497	BeCl-	beryllium monochloride anion	becl-
498	BeCl+	beryllium monochloride cation	becl+
499	AlF	Aluminum monofluoride	alf
500	AlF-	Aluminum monofluoride anion	alf-
501	AlF+	Aluminum monofluoride cation	alf+
502	BCl	boron monochloride	bcl
503	BCl-	boron monochloride anion	bcl-
504	BCl+	boron monochloride cation	bcl+
505	AlCl-	aluminum monochloride anion	alcl-
506	AlCl+	aluminum monochloride cation	alcl+
507	ScF	Scandium monofluoride	scf
508	BBr	Boron monobromide	bbr
509	GaF	Gallium monofluoride	gaf
510	GaF+	Gallium monofluoride cation	gaf+
511	AlBr	Aluminum monobromide	albr
512	GaCl	Gallium monochloride	gacl
513	GaCl+	Gallium monochloride cation	gacl+
514	AlI	Aluminum monoiodide	ali
515	GaBr	Gallium monobromide	gabr
516	CCl	carbon monochloride	ccl
517	CCl-	carbon monochloride anion	ccl-
518	CCl+	carbon monochloride cation	ccl+
519	SiF-	silicon monofluoride anion	sif-
520	SiCl	Clorosilylidyne	sicl
521	SiCl-	silicon monochloride anion	sicl-
522	SiCl+	silicon monochloride cation	sicl+
523	CBr	Carbon monobromide	cbr
524	GeF	Germanium monofluoride	gef
525	GeF+	Germanium monofluoride cation	gef+
526	GeCl	Germanium monochloride	gecl
527	GeCl+	Germanium monochloride cation	gecl+
528	SiBr	Silicon monobromide	sibr
529	SiBr+	Silicon monobromide cation	sibr+
530	NCl-	nitrogen monochloride anion	ncl-
531	NCl+	nitrogen monochloride cation	ncl+
532	PF	phosphorus monofluoride	pf
533	PF-	phosphorus monofluoride anion	pf-
534	PF+	phosphorus monofluoride cation	pf+
535	PCl	phosphorus chloride	pcl
536	PCl-	phosphorus monochloride anion	pcl-
537	PCl+	phosphorus monochloride cation	pcl+
538	AsF	Arsenic monofluoride	asf
539	NBr	nitrogen monobromide	nbr
540	AsCl	Arsenic monochloride	ascl
541	PBr	Phosphorus monobromide	pbr
542	SbF	Antimony monofluoride	sbf
543	SbCl	Antimony monochloride	sbcl
544	ClO-	chlorine monoxide anion	clo-
545	ClO+	chlorine monoxide cation	clo+
546	SF-	sulfur monofluoride anion	sf-
547	SCl-	sulfur monochloride anion	scl-
548	BrO	Bromine monoxide	bro
549	BrO-	Bromine monoxide anion	bro-
550	BrO+	Bromine monoxide cation	bro+
551	SeF	Selenium monofluoride	sef
552	SBr+	Sulfur monobromide cation	sbr+
553	SeCl	Selenium monochloride	secl
554	IO	Iodine monoxide	io
555	SeBr	Selenium monobromide	sebr
556	BrCl	Bromine monochloride	brcl
557	ClF-	clorine monofluoride anion	clf-
558	ClF+	clorine monofluoride cation	clf+
559	BrF	Bromine monofluoride	brf
560	BrF-	bromine fluoride anion	brf-
561	BrF+	bromine fluoride cation	brf+
562	BrCl-	bromine chloride anion	brcl-
563	BrCl+	bromine chloride cation	brcl+
564	IF	Iodine monofluoride	if
565	Br2	Bromine diatomic	br2
566	Br2-	bromine diatomic anion	br2-
567	Br2+	bromine diatomic cation	br2+
568	ICl	Iodine monochloride	icl
569	IBr	Iodine monobromide	ibr
570	I2	Iodine diatomic	i2
571	I2+	Iodine diatomic cation	i2+
572	HCCl	Chloromethylene	hccl
573	HSiF	fluorosilylene	hsif
574	HSiCl	Chlorosilylene	hsicl
575	HSiBr	monobromosilylene	hsibr
576	CHBr	bromomethylene	chbr
577	DOCl	Hypochlorous acid-d	docl
578	HOCl	hypochlorous acid	hocl
579	HOCl+	hypochlorous acid cation	hocl+
580	HOBr	Hypobromous acid	hobr
581	HOBr+	Hypobromous acid cation	hobr+
582	HOI	Hypoiodous acid	hoi
583	F2H+	Fluorine, protonated	f2h+
584	FHF	Hydrogen difluoride	fhf
585	FHF-	Hydrogen difluoride anion	fhf-
586	ClFH+	Chlorine fluoride, F-protonated	clfh+
587	FClH+	Chlorine fluoride, Cl-protonated	fclh+
588	Cl2H+	Chlorine, protonated	cl2h+
589	CH2Br	bromomethyl radical	ch2br
590	CH2F	fluoromethyl radical	ch2f
591	CH2F+	fluoromethyl cation	ch2f+
592	CH2Cl+	chloromethyl cation	ch2cl+
593	NH2F	monofluoroamine	nh2f
594	NH2Cl	chloramine	nh2cl
595	H2F2	Hydrogen fluoride dimer	h2f2
596	CH3F+	methyl fluoride cation	ch3f+
597	CD3F	methylfluoride-d3	cd3f
598	CD3Cl	methyl chloride d3	cd3cl
599	CH3Cl+	Methyl chloride cation	ch3cl+
600	SiH3F	monofluorosilane	sih3f
601	CH3Br	methyl bromide	ch3br
602	GeH3F	monofluorogermane	geh3f
603	GeH3Cl	monochlorogermane	geh3cl
604	SiH3Br	bromosilane	sih3br
605	CH3I	methyl iodide	ch3i
606	SiH3I	Silyl Iodide	sih3i
607	NH3Cl+	protonated monochloroammonia	nh3cl+
608	CH3ClH+	methyl chloride, protonated	ch3clh+
609	NH4Cl	Ammonium chloride	nh4cl
610	LiNe+	Lithium Neon cation	line+
611	Ne2	Neon diatomic	ne2
612	Ne2+	Neon diatomic cation	ne2+
613	Ar2	Argon diatomic	ar2
614	Ar2+	Argon diatomic cation	ar2+
615	Li3	Lithium trimer	li3
616	Li3+	Lithium trimer cation	li3+
617	C3+	carbon trimer cation	c3+
618	SiC2	Silicon dicarbide	sic2
619	C3H3	cyclopropenyl radical	cpr
620	C3H3-	Propargyl anion	c3h3-
621	C3H3+	cyclopropenyl cation	cpr+
622	C3H3+	Propargyl cation	c3h3+
623	C3H4	cyclopropene	cprop
624	C3H5	Allyl radical	allyl
625	C3H5+	Allyl cation	allyl+
626	CH3CHCH	1-propenyl radical	ch3chch
627	Zn(CH3)2	dimethyl zinc	dmz
628	C3H7+	cyclopropane, protonated	c3h7+
629	CH3CHCH3	Isopropyl radical	isopropyl
630	CH3CHCH3+	Isopropyl cation	prop2yl+
631	SiH2(CH3)2	dimethylsilane	dms
632	LiCN	lithium cyanide	licn
633	NaCN	Sodium Cyanide	nacn
634	KCN	Potassium cyanide	kcn
635	CuCN	Copper cyanide	cucn
636	ZnCN	Zinc monocyanide	zncn
637	ZnNC	Zinc isocyanide	znnc
638	AlCN	Aluminum monocyanide	alcn
639	AlNC	Aluminum isocyanide	alnc
640	CN2	3H-Diazirin-3-ylidene	cn2
641	CNN	Diazocarbene	cnn
642	NCN	Cyanoimidogen	ncn
643	N3	azide radical	n3
644	N3-	azide anion	n3-
645	N3+	azide cation	n3+
646	HCCN	cyanomethylene	hccn
647	HCNN	diazomethyl radical	hcnn
648	HN3+	Hydrazoic acid cation	hn3+
649	HNCNH	diiminomethane	hncnh
650	CH2N2	diazirine	ch2n2
651	NH2CN	cyanamide	cyanamide
652	HNNNH+	1,2-Triazadienium	n2h3+
653	NH2NN+	hydrazoic acid, protonated	nh2nn+
654	CH3CN-	acetonitrile anion	ch3cn-
655	CH3CN+	Acetonitrile cation	ch3cn+
656	CHNCH2	2H-Azirine	c157164
657	CHNHCH	1H-Azirine	chnhch
658	H2CCNH	Ethenimine	ch2cnh
659	H2CNCH	methyleneaminomethylene	ch2nch
660	HCCNH2	Ethynamine	hccnh2
661	HCNCH2+	2H-Azirine cation	hcnch2+
662	HNCNH2+	diiminomethane, protonated	hncnh2+
663	NCNH3+	Cyanamide, protonated	ncnh3+
664	NH2CNH+	cyanamide, cn protonated	nh2cnh+
665	NH3CN+	cyanamide, amine protonated	nh3cn+
666	CH2CHNH	vinylazine	ch2chnh
667	CH3CHN	methylmethaniminyl radical	ch3chn
668	CH2CHNH2	aminoethene	aminoethene
669	CH2NCH3	N-methylmethanimine	nmm
670	CH3CHNH	ethanimine	ethanimine
671	NH2BHNH2	diaminoborane	nh2bhnh2
672	C2H5NH+	Protonated Aziridine	c2h5nh+
673	C2H6N+	aziridine, protonated	c2h6n+
674	NH2CH2NH2	diaminomethane	nh2ch2nh2
675	CH3PHCH3	dimethylphosphine	ch3phch3
676	NH2CH2NH3+	diaminoethane, protonated	pdam
677	(CH3)2NH2+	dimethylammonium cation	dmam
678	CH3CH2NH3+	ethylamine, protonated	pea
679	Li2O	dilithium oxide	li2o
680	Li2O+	dilithium oxide cation	li2o+
681	Na2O	disodium monoxide	na2o
682	Na2S	Sodium sulfide	na2s
683	LiO2	Lithium dioxide	lio2
684	NaO2	Sodium superoxide	nao2
685	CCO	Dicarbon monoxide	cco
686	CNO-	fulminate	cno-
687	NCO	isocyanato radical	nco
688	NCO-	cyanate	nco-
689	SCN	thiocyanato radical	scn
690	SCN-	thiocyanide anion	scn-
691	BO2-	Boron dioxide anion	bo2-
692	BO2+	Boron dioxide cation	bo2+
693	N2O-	Nitrous oxide anion	n2o-
694	N2O+	Nitrous oxide cation	n2o+
695	PPO	Phosphorus oxide phosphide	ppo
696	CO2-	Carbon dioxide anion	co2-
697	CO2+	Carbon dioxide cation	co2+
698	OCS+	Carbonyl sulfide cation	cos+
699	SiO2	silicon dioxide	sio2
700	CS2-	Carbon disulfide anion	cs2-
701	CS2+	Carbon disulfide cation	cs2+
702	TiO2	Titanium dioxide	tio2
703	GeO2	Germanium dioxide	geo2
704	OCSe	Carbonyl selenide	ocse
705	SCSe	Carbon sulfide selenide	scse
706	GeS2	Germanium disulfide	ges2
707	CSe2	Carbon diselenide	cse2
708	SCTe	Carbon sulfide Telluride	scte
709	NO2-	Nitrogen dioxide anion	no2-
710	NO2+	Nitrogen dioxide cation	no2+
711	PO2	Phosphorus dioxide	po2
712	PO2-	Phosphorus dioxide anion	po2-
713	PO2+	Phosphorus dioxide cation	po2+
714	AsO2	Aresenic dioxide	aso2
715	O3-	Ozone anion	o3-
716	O3+	Ozone cation	o3+
717	SO2-	Sulfur dioxide anion	so2-
718	SO2+	Sulfur dioxide cation	so2+
719	SSO	Disulfur monoxide	sso
720	S3-	Sulfur trimer anion	s3-
721	SeO2	Selenium dioxide	seo2
722	SeO2+	Selenium dioxide cation	seo2+
723	TeO2	Tellurium Dioxide	teo2
724	CS2H+	Carbon disulfide, protonated	cs2h+
725	HNCS	Isothiocyanic acid	hncs
726	HSCN	thiocyanic acid	hscn
727	HCO2-	formate anion	hco2-
728	HNNO	nitrosoazane	hnno
729	HNNO+	Nitrous oxide, N-protonated	hnno+
730	NNOH+	Nitrous Oxide, O-protonated	nnoh+
731	HCOO	formate neutral radical	hcoo
732	HOCO+	Hydrocarboxyl cation	hoco+
733	HNO2+	nitrous acid cation	hno2+
734	O3H+	protonated ozone	o3h+
735	SO2H+	protonated sulfur dioxide	so2h+
736	C2H2O	Oxirene	oxirene
737	CH2CO+	Ketene cation	ch2co+
738	Be(OH)2	Beryllium hydroxide	beo2h2
739	Mg(OH)2	Magnesium dihydroxide	h2mgo2
740	NH2NO	Nitrosamide	nh2no
741	H2COO	Dioxymethyl radical	h2coo
742	H2COO+	dioxymethyl cation	h2coo+
743	H2O3	Hydrogen trioxide	h2o3
744	NaOCH3	Sodium methoxide	naoch3
745	CH2BOH	hydroxy(methylene)borane	ch2boh
746	BH3CO	Borane carbonyl	bh3co
747	CH3BO	Borane, methyloxo-	ch3bo
748	CH2CHO	Vinyloxy radical	ch2cho
749	CH2COH+	ketene, protonated	ch2coh+
750	CH3CO-	Acetyl anion	ch3co-
751	CH3CO+	acetyl cation	ch3co+
752	CH2NOH	formaldoxime	ch2noh
753	CH3NO	nitrosomethane	ch3no
754	CNOH3	1,2-oxaziridine	cnoh3
755	HOCHNH	hydroxymethylimine	hochnh
756	CHSNH2	thioformamide	chsnh2
757	NHCHSH	Methanimidothioic acid	nhchsh
758	CH2OOH	CH2OOH radical	ch2ooh
759	CH3OO	methylperoxy radical	ch3oo
760	CH3OO-	methylperoxy anion	ch3oo-
761	CH3OO+	methylperoxy cation	ch3oo+
762	C2H4O+	ethylene oxide cation	c2h4o+
763	CH3CHO+	acetaldehyde cation	ch3cho+
764	H2COCH2+	Methyl, (methyleneoxoniumyl)-	h2coch2+
765	CH2CHSH	Ethenethiol	ch2chsh
766	H2CONH2+	protonated formamide	h2conh2+
767	NH2CHOH+	Formamide, O-protonated	nh2choh+
768	NH3CHO+	Formamide, N-Protonated	nh3cho+
769	CH2(OH)2	methanediol	ch2o2h2
770	HSCH2SH	Methanedithiol	ch4s2
771	C2H4OH+	ethylene oxide, protonated	c2h4oh+
772	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
773	CH3CH2O	Ethoxy radical	ethoxy
774	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
775	CH3CHOH+	acetaldehyde, protonated	ch3choh+
776	CH3OCH2	methoxymethyl radical	ch3och2
777	NH2CH2OH	aminomethanol	nh2ch2oh
778	CH3SCH3	Dimethyl sulfide	mesme
779	CH3SCH3+	dimethyl sulfide cation	mesme+
780	CH3SeCH3	dimethylselenide	dmse
781	H2OCH3OH	water methanol dimer	h2och3oh
782	CuF2	Copper difluoride	cuf2
783	ZnF2	Zinc difluoride	znf2
784	CNF	iso cyanogen fluoride	cnf
785	ClCN	chlorocyanogen	clcn
786	BrCN	Cyanogen bromide	brcn
787	ICN	Cyanogen iodide	icn
788	FBO	Boron monofluoride monoxide	fbo
789	BeF2	Beryllium fluoride	bef2
790	MgF2	Magnesium fluoride	mgf2
791	BeCl2	Beryllium chloride	becl2
792	MgCl2	Magnesium dichloride	mgcl2
793	CaCl2	Calcium Chloride	cacl2
794	ZnCl2	Zinc dichloride	zncl2
795	BeBr2	Beryllium bromide	bebr2
796	CaBr2	Calcium dibromide	cabr2
797	CaF2	Calcium difluoride	caf2
798	FCO	Carbonyl fluoride	fco
799	FCO+	Carbonyl fluoride cation	fco+
800	ClCO	carbonyl monochloride	clco
801	BF2	Boron difluoride radical	bf2
802	ClNO	Nitrosyl chloride	clno
803	BrNO	Nitrosyl bromide	brno
804	INO	Nitrosyl iodide	ino
805	CF2-	Difluoromethylene anion	cf2-
806	CF2+	Difluoromethylene cation	cf2+
807	CFCl	chlorofluoromethylene	cfcl
808	SiF2	Silicon difluoride	sif2
809	SiF2+	Silicon difluoride cation	sif2+
810	CCl2	dichloromethylene	ccl2
811	CCl2-	dichloromethylene anion	ccl2-
812	CCl2+	dichloromethylene cation	ccl2+
813	SiCl2	Dichlorosilylene	sicl2
814	GeF2	Germanium difluoride	gef2
815	CBr2	dibromomethylene	cbr2
816	FOO+	Fluorine dioxide cation	foo+
817	ClOO	chloroperoxy radical	cloo
818	ClOO+	chloroperoxy cation	cloo+
819	OClO-	Chlorine dioxide anion	oclo-
820	OClO+	Chlorine dioxide cation	oclo+
821	ClS2	Sulfur chloride	cls2
822	BrOO	Bromine dioxide	broo
823	OBrO	Bromine dioxide radical	obro
824	NF2+	Difluoroamino cation	nf2+
825	PF2	Phosphorus difluoride	pf2
826	PF2+	Phosphorus difluoride cation	pf2+
827	SF2-	sulfur difluoride anion	sf2-
828	SF2+	sulfur difluoride cation	sf2+
829	Cl2O	Dichlorine monoxide	cl2o
830	SeF2	Selenium difluoride	sef2
831	BrOCl	Bromine hypochlorite	brocl
832	BrOBr	Bromine oxide	brobr
833	F3-	trifluoride anion	f3-
834	Cl3-	trichloride anion	cl3-
835	Br3-	tribromide anion	br3-
836	I3-	triiodide	i3-
837	SFCl	Sulfur chloride fluoride	sfcl
838	HCCF+	fluoroacetylene cation	hccf+
839	HCCCl	Chloroacetylene	hcccl
840	HCCBr	bromoacetylene	hccbr
841	HFCO+	formyl fluoride cation	hfco+
842	COHCl	Formyl chloride	cohcl
843	COHBr	Formyl bromide	cohbr
844	BHCl2	Borane, dichloro-	bhcl2
845	CHCl2	dichloromethyl radical	chcl2
846	CHF2	difluoromethyl radical	chf2
847	CHF2+	difluoromethyl cation	chf2+
848	CHFCl	Chlorofluoromethyl radical	chfcl
849	CHFCl+	Chlorofluoromethyl cation	chfcl+
850	CHCl2+	dichloromethyl cation	chcl2+
851	CHBr2	dibromomethyl radical	chbr2
852	HOClO	Chlorous acid	hoclo
853	NHF2	difluoramine	nhf2
854	NHCl2	dichloroamine	nhcl2
855	CH2FCl	fluorochloromethane	ch2fcl
856	SiH2F2	difluorosilane	sih2f2
857	CH2BrF	Methane, bromofluoro-	ch2fbr
858	CH2BrCl	Methane, bromochloro-	ch2clbr
859	CH2FI	fluoroiodomethane	ch2fi
860	CH2Br2	dibromomethane	ch2br2
861	CH2ClI	chloroiodomethane	ch2cli
862	CH2BrI	bromoiodomethane	ch2bri
863	CH2I2	Diiodomethane	ch2i2
864	CH3MgBr	Methyl Magnesium Bromide	ch3mgbr
865	CH2CHF+	fluoroethene cation	ch2chf+
866	C2H3Cl	Ethene, chloro-	ch2chcl
867	C2H3Br	vinyl bromide	c2h3br
868	C2H3I	Vinyl iodide	c2h3i
869	CH2FOH	fluoromethanol	ch2foh
870	CH3OCl	methyl hypochlorite	ch3ocl
871	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
872	CHClCH3	1-chloroethyl radical	chclch3
873	CH3CH2Cl	Ethyl chloride	c2h5cl
874	CH3SiFH2	fluoromethylsilane	ch3sifh2
875	C2H5Br	Ethyl bromide	etbr
876	C2H5I	Ethyl iodide	c2h5i
877	KrF2	Krypton difluoride	krf2
878	XeF2	Xenon difluoride	xef2
879	B4H10	Tetraborane(10)	b4h10
880	C4+	Carbon tetramer cation	c4+
881	C4H2+	diacetlyene cation	c4h2+
882	C4H4	cyclobutadiene	cbd
883	C4H4	Tetrahedrane	c4h4
884	CHCCH2CH3	1-Butyne	c107006
885	CH3CHCHCH2	methylallyl radical	c4h7
886	C4H8	methylcyclopropane	mcp
887	CH2CHCH2CH3	1-Butene	bute1
888	B(CH3)3	trimethylborane	bme3
889	Al(CH3)3	trimethyl aluminum	tma
890	SiH(CH3)3	trimethylsilane	trimsi
891	Li3N	trilithium nitride	li3n
892	C2N2+	Cyanogen cation	c2n2+
893	P4	Phosphorus tetramer	p4
894	As4	Arsenic tetramer	as4
895	HCCCN	Cyanoacetylene	hcccn
896	HCCCN+	Cyanoacetylene cation	hcccn+
897	H2CNCN	cyanamide, methylene	ch2ncn
898	HNCCNH	Ethenediimine	hnccnh
899	C3H3N+	acrylonitrile cation	ch2chcn+
900	CH3N3	methyl azide	ch3n3
901	NH2CCNH2	Diaminoacetylene	daa
902	NH2CH2CN	Aminoacetonitrile	aan
903	CH3NHN2+	methyl azide, protonated	ch3nhn2+
904	C2H5CN	ethyl cyanide	c2h5cn
905	CH5N3	Guanidine	guanidine
906	C4H6	Bicyclo[1.1.0]butane	c157335
907	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
908	H2NCHCHNH2	diaminoethylene	dae
909	CH6N3+	guanidinium	ch6n3+
910	CH7N3	triaminomethane	tam
911	C3H7N	Azetidine	azet
912	CH3NHNHCH3	dimethyl hydrazine	dmh
913	NH2CH2CH2CH3	1-Propanamine	pram1
914	P(CH3)3	trimethylphosphine	tmp
915	N(SiH3)3	trisilylamine	tsa
916	As(CH3)3	trimethyl arsine	tmas
917	(CH3)3NH+	protonated trimethyl amine	ptma
918	C3H7NH3+	n-propylamine, protonated	c3h7nh2
919	Li2O2	dilithium dioxide	li2o2
920	Na2O2	disodium dioxide	na2o2
921	K2O2	dipotassium dioxide	k2o2
922	C3O	Tricarbon monoxide	c3o
923	ONNO	NO dimer	onno
924	CO3	Carbon trioxide	co3
925	CO3--	carbonate	co3--
926	NO3-	nitrate anion	no3-
927	NO3+	nitrogen trioxide cation	no3+
928	SO3-	Sulfur trioxide anion	so3-
929	SO3--	Sulfate dianion	so3--
930	SO3+	Sulfur trioxide cation	so3+
931	SeO3	selenium trioxide	seo3
932	TeO3	Tellurium trioxide	teo3
933	HCO3-	bicarbonate anion	hco3-
934	HSO3	Hydroxysulfonyl radical	hso3
935	NH2NO2	nitramide	nh2no2
936	C2H2CO	cyclopropenone	c2h2co
937	C3H2O	Propadienal	c3h2o
938	HCCCHO	2-propynal	hcccho
939	C2H2O2+	Ethanedial cation	c2h2o2+
940	H2CO3	Carbonic acid	h2co3
941	H2CS3	thiocarbonic acid	h2cs3
942	H2NO3+	Nitric Acid, Protonated	h2no3+
943	H2SO3	Sulfurous acid	h2so3
944	C2H3NO	Nitrosoethylene	c2h3no
945	CH3NCO	methylisocyante	ch3nco
946	HOCH2CN	cyanomethanol	hoch2cn
947	CH3COO-	acetate anion	ch3coo-
948	NH2COOH	Carbamic acid	nh2cooh
949	H3BO3	Boric acid	h3bo3
950	H3CO3+	carbonic acid, protonated	h3co3+
951	C3H4O	allenol	c9000071
952	NH2CONH2+	Urea cation	urea+
953	NH2CSNH2	Thiourea	thiourea
954	C2H4O2	1,3-dioxetane	c2h4o2
955	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
956	NH3COOH+	protonated Carbamic acid	nh3cooh+
957	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
958	CH3COCH2	Acetonyl radical	ch3coch2
959	CH2C(OH)NH2	1-amino vinyl alchohol	ava
960	CH3C(OH)=NH	Ethaninidic acid	eia
961	HCONHCH3	N-methylformamide	nmfa
962	CH5N2O+	urea, N-protonated	ch4n2o+
963	H2NCOHNH2+	urea, protonated	ureah+
964	C2H5OO	ethylperoxy radical	c2h5oo
965	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
966	C3H5OH	Cyclopropanol	cproh
967	C3H6O	2-Propen-1-ol	c107186
968	C3H6O	Acetone enol	enol
969	C3H6O	Oxetane	oxetane
970	CH3COCH3-	acetone anion	ch3coch3-
971	C3H6S	Thietane	thietane
972	C3H6S	Thiirane, methyl-	methiirane
973	CH3CSCH3	Thioacetone	ch3csch3
974	CH3OOCH3	dimethylperoxide	dmp
975	CH3SOCH3	Dimethyl sulfoxide	dmso
976	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
977	CH3SSCH3	Disulfide, dimethyl	ch3ssch3
978	CH3COHCH3+	acetone, protonated	acetoneh+
979	HOCH2CH2NH2	monoethanolamine	mea
980	CH3OC2H5	Ethane, methoxy-	etome
981	C3H7SH	1-Propanethiol	prsh
982	CH3CHSHCH3	2-Propanethiol	isoprsh
983	CH3SCH2CH3	Ethane, (methylthio)-	etsme
984	H2OCH3OCH3	water dimethylether dimer	h2och3och3
985	Li2F2	Lithium fluoride dimer	li2f2
986	Na2F2	Sodium Fluoride Dimer	na2f2
987	Na2Cl2	Disodium dichloride	na2cl2
988	C2Cl2	dichloroacetylene	c2cl2
989	C2Cl2+	dichloroacetylene cation	c2cl2+
990	FNO2	Nitryl fluoride	fno2
991	FONO	Nitrosyl hypofluorite	fono
992	ClNO2	Nitryl chloride	clno2
993	ClONO	chlorine nitrite	clono
994	BrONO	Bromine nitrite	brono
995	CF2O+	Carbonic difluoride cation	f2co+
996	COFCl	Carbonic chloride fluoride	cofcl
997	CCl2O	Phosgene	cl2co
998	COBr2	Carbonic dibromide	cobr2
999	BF3-	Borane, trifluoro- anion	bf3-
1000	BF3+	boron trifluoride cation	bf3+
1001	BClF2	Chlorodifluoroborane	bclf2
1002	AlF2Cl	Aluminum chloride difluoride	alclf2
1003	ScF3	Scandium trifluoride	ScF3
1004	AlFCl2	Aluminum dichloride fluoride	alcl2f
1005	BCl3	Borane, trichloro-	bcl3
1006	BCl3+	Boron Trichloride cation	bcl3+
1007	GaF3	Gallium trifluoride	gaf3
1008	AlCl3	Aluminum trichloride	alcl3
1009	GaCl3	Gallium trichloride	gacl3
1010	BBr3	Boron tribromide	bbr3
1011	AlBr3	Aluminum Bromide	albr3
1012	ClO3	Chlorine trioxide	clo3
1013	ClO3-	chlorate anion	clo3-
1014	BrO3-	Bromate anion	bro3-
1015	CF3-	Trifluoromethyl anion	cf3-
1016	CF3+	Trifluoromethyl cation	cf3+
1017	CF2Cl	difluorochloromethyl radical	cf2cl
1018	SiF3	Silicon trifluoride radical	sif3
1019	SiF3+	Silicon trifluoride cation	sif3+
1020	CFCl2	dichlorofluoromethyl radical	cfcl2
1021	CCl3	Trichloromethyl radical	ccl3
1022	CCl3-	Trichloromethyl anion	ccl3-
1023	CCl3+	Trichloromethyl cation	ccl3+
1024	SiCl3	trichlorosilyl radical	sicl3
1025	SiCl3+	trichlorosilyl cation	sicl3+
1026	CBr3	tribromomethyl radical	cbr3
1027	FOOF	Perfluoroperoxide	foof
1028	ClOOCl	Dichlorine dioxide	cloocl
1029	SOCl2	thionyl chloride	socl2
1030	SeOCl2	selenium oxychloride	seocl2
1031	NF3-	Nitrogen trifluoride anion	nf3-
1032	NF3+	Nitrogen trifluoride cation	nf3+
1033	PF3	Phosphorus trifluoride	pf3
1034	NCl3	nitrogen trichloride	ncl3
1035	AsF3	Arsenic trifluoride	asf3
1036	PCl3	Phosphorus trichloride	pcl3
1037	SbF3	Antimony Trifluoride	sbf3
1038	AsCl3	Arsenous trichloride	ascl3
1039	SbCl3	Antimony Trichloride	sbcl3
1040	NBr3	Nitrogen Tribromide	nbr3
1041	PBr3	Phosphorus tribromide	pbr3
1042	AsBr3	Arsenic tribromide	asbr3
1043	NI3	Nitrogen triiodide	ni3
1044	PI3	Phosphorus triiodide	pi3
1045	ClSSCl	Disulfur dichloride	s2cl2
1046	BrF3	Bromine trifluoride	brf3
1047	IF3	iodone trifluoride	if3
1048	CHF2Cl	difluorochloromethane	chf2cl
1049	SiHF3	trifluorosilane	sihf3
1050	CHFCl2	fluorodichloromethane	chfcl2
1051	CDCl3	trichloromethane-d	cdcl3
1052	CHCl3	Chloroform	chcl3
1053	CHBrF2	Methane, bromodifluoro-	chbrf2
1054	SiHCl3	Trichlorosilane	sihcl3
1055	CHFClBr	fluorochlorobromomethane	chfclbr
1056	CHBrCl2	Methane, bromodichloro-	chbrcl2
1057	CHF2I	difluoroiodomethane	chf2i
1058	CHBr2F	dibromofluoromethane	chbr2f
1059	CHFClI	fluorochloroiodomethane	chfcli
1060	CHCl2I	dichloroiodomethane	chcl2i
1061	CHClBr2	Methane, dibromochloro-	chclbr2
1062	CHBr3	bromoform	chbr3
1063	CHI3	Iodoform	chi3
1064	NF3H+	protonated nitrogen trifluoride	nf3h+
1065	AsF3H+	Arsenic trifluoride, protonated	asf3h+
1066	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1067	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
1068	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1069	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1070	CH2CCl2	Ethene, 1,1-dichloro-	ch2ccl2
1071	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
1072	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
1073	C2H2Br2	1,1-dibromoethene	c2h2br2
1074	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1075	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1076	CH2FCHO	Fluoroacetaldehyde	ch2fcho
1077	CH2ClCHO	chloroacetaldehyde	ch2clcho
1078	CH3COCl	Acetyl Chloride	ch3cocl
1079	C2H4F2	1,2-difluoroethane	c2h4f2
1080	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1081	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1082	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1083	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
1084	CH2BrCH2Cl	1-bromo-2-chloroethane	ch2brch2cl
1085	CH2BrCH2Br	Ethane, 1,2-dibromo-	ch2brch2br
1086	CH2CFCH3	2-fluoropropene	2fpro
1087	CH2CHCH2F	Allyl Fluoride	allylf
1088	CH3CHCHF	trans-1-Fluoro-1-propene	propene1ft
1089	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
1090	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
1091	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
1092	CH2FCH2OH	2-fluoroethanol	ch2fch2oh
1093	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
1094	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
1095	CH2FCH2CH3	1-Fluoropropane	prf1
1096	CH3CHFCH3	2-Fluoropropane	prf2
1097	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
1098	CH3CHClCH3	Propane, 2-chloro-	prcl2
1099	CH3CH2CH2Br	n-propyl bromide	prbr
1100	CH3CHBrCH3	i-propyl bromide	iprbr
1101	C3H9O+	trimethyl oxonium cation	c3h9o+
1102	B5H9	pentaborane9	b5h9
1103	C5H4	pentatetraene	ptrene
1104	C5H5	cyclopentadienyl radical	c5h5
1105	C5H6	Propellane	propellane
1106	C5H7	1,3-pentadienyl radical	pdyl
1107	C5H7	cyclopentenyl radical	cpyl
1108	C5H8	1-pentyne	a1pentyne
1109	C5H8	Bicyclo[1.1.1]pentane	bcp
1110	C5H8	Ethenylcyclopropane	c693867
1111	CH3CCCH2CH3	2-Pentyne	2pentyne
1112	CH2CHCH2CH2CH3	1-pentene	pentene
1113	Si(CH3)4	tetramethylsilane	tms
1114	CH2N4	1H-Tetrazole	1htz
1115	C3H3N2	imidazolyl radical	im
1116	C3H3N2-	imidizolyl anion	im-
1117	C2H3N3	1H-1,2,4-Triazole	c288880
1118	C4H4N	pyrrolide radical	c4h4n
1119	C4H4N-	pyrrolide anion	c4h4n-
1120	C3H4N2	2H-Imidazole	imid2h
1121	C3H4N2	4H-Imidazole	imid4h
1122	C4H5N	2H-pyrrole	pyrrole2
1123	C4H5N	3H-pyrrole	pyrrole3
1124	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1125	C4H6N+	pyrrole, alpha-protonated	appyr
1126	C4H6N+	pyrrole, beta-protonated	bppyr
1127	C4H6N+	pyrrole, protonated	ppyr
1128	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1129	CH3CH2CH2CN	Butanenitrile	c109740
1130	NH(C2H5)2	diethylamine	dea
1131	NC4H12+	tetramethyl ammonium cation	nc4h12+
1132	C3O2+	Carbon suboxide cation	c3o2+
1133	B2O3	diboron trioxide	b2o3
1134	MgCO3	Magnesium Carbonate	mgco3
1135	BeCO3	Beryllium Carbonate	beco3
1136	CaCO3	Calcium Carbonate	caco3
1137	ONONO	Nitrosyl nitrite	onono
1138	PO4---	phosphate	po4---
1139	SO4--	sulfate	so4--
1140	HOONO2	peroxy nitric acid	hoono2
1141	HSO4-	bisulfate anion	hso4-
1142	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1143	C3H2O2	Propiolic acid	c3h2o2
1144	CHOCOOH	oxo acetic acid	oaa
1145	CHOOCHO	diformyl ether	choocho
1146	H2SeO4	Selenic acid	h2seo4
1147	C3H3NO	Oxazole	oxazole
1148	C3H3NS	Thiazole	thiazole
1149	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1150	H3PO4	Phosphoric Acid	h3po4
1151	C4H4O+	Furan cation	furan+
1152	CH3COCCH	3-butyn-2-one	c1423605
1153	C4H4S	Thiophene	furans
1154	C4H4Se	selenophene	c4h4se
1155	C3H4O2	Methyl glyoxal	megly
1156	C3H4O2	propanedial	propanedial
1157	C3H4O2	propenalol	propenalol
1158	HOCHCCHOH	allenediol	aldiol
1159	C2H4O3	1,2,3-trioxolane	c2h4o3
1160	C2H4O3	trioxolane124	triox
1161	HOCH2COOH	Hydroxyacetic acid	hac
1162	CH5N3S	Hydrazinecarbothioamide	c79196
1163	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1164	C4H6O	cis-2-butenal	butenal2c
1165	C4H6O	Furan, 2,5-dihydro-	furan25h
1166	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1167	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1168	CH2CHSCHCH2	Divinyl sulfide	divis
1169	CH3CH2COOH	Propanoic Acid	propanoic
1170	HCOOC2H5	Ethyl formate	faee
1171	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1172	C3H7NO	dimethylformamide	dmf
1173	C4H8O	Furan, tetrahydro-	thf
1174	C4H8S	Thiophene, tetrahydro-	tht
1175	C3H8S2	1,3-Propanedithiol	c109808
1176	C4H10O	1-Butanol	butanol1
1177	C4H10O	Methyl propyl ether	meopr
1178	C4H10O+	1-Butanol cation	butanol1+
1179	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1180	C2H5SC2H5	Diethyl sulfide	etset
1181	C4H9SH	1-Butanethiol	bush
1182	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1183	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1184	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1185	ClONO2	Chlorine nitrate	clono2
1186	BrONO2	Bromine nitrate	brono2
1187	TiCl4	Titanium tetrachloride	ticl4
1188	ClO4-	perchlorate anion	clo4-
1189	BF4-	tetrafluoroboron anion	bf4-
1190	ClFO3	Perchloryl fluoride	clfo3
1191	SO2F2	Sulfuryl fluoride	so2f2
1192	SO2Cl2	Sulfuryl chloride	so2cl2
1193	F3PO	Phosphoryl fluoride	pf3o
1194	Cl3PO	Phosphoryl chloride	pcl3o
1195	CF3Cl	Methane, chlorotrifluoro-	cf3cl
1196	SiF4	Silicon tetrafluoride	sif4
1197	TiF4	Titanium tetrafluoride	tif4
1198	CFCl3	Trichloromonofluoromethane	cfcl3
1199	CF3Br	Bromotrifluoromethane	cf3br
1200	GeF4	Germanium tetrafluoride	gef4
1201	CCl4	Carbon tetrachloride	ccl4
1202	CCl4+	Carbon tetrachloride cation	ccl4+
1203	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1204	SiCl4	Silane, tetrachloro-	sicl4
1205	CBrCl2F	bromodichlorofluoromethane	cbrcl2f
1206	CF3I	trifluoroiodomethane	cf3i
1207	CBrCl3	Methane, bromotrichloro-	cbrcl3
1208	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1209	GeCl4	Germanium Tetrachloride	gecl4
1210	CBr2ClF	dibromochlorofluoromethane	cbr2clf
1211	CBr2Cl2	dibromodichloromethane	cbr2cl2
1212	CCl3I	trichloroiodomethane	ccl3i
1213	CFBr3	fluorotribromomethane	cfbr3
1214	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1215	CBr3Cl	tribromochloromethane	cbr3cl
1216	CF2I2	difluorodiiodomethane	cf2i2
1217	CBr4	Carbon tetrabromide	cbr4
1218	CCl2I2	dichlorodiiodomethane	ccl2i2
1219	SiBr4	Silicon tetrabromide	sibr4
1220	CBr3I	tribromoiododmethane	cbr3i
1221	GeBr4	Germanium tetrabromide	gebr4
1222	CI4	tetraiodomethane	ci4
1223	SiI4	silicon tetraiodide	sii4
1224	ClOF3	Chlorine trifluoride oxide	clof3
1225	SeF4	Selenium tetrafluoride	sef4
1226	SCl4	Sulfur tetrachloride	scl4
1227	C2HF3+	Trifluoroethylene cation	c2hf3+
1228	CHClCCl2	Trichloroethylene	chclccl2
1229	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1230	HSO3F	Fluorosulfonic acid	hso3f
1231	CF3OH	trifluoromethanol	cf3oh
1232	CH2ClCCCl	1,3-dichloropropyne	ch2clcccl
1233	CHClCCHCl	1,3-dichloroallene	chclcchcl
1234	CHCl2CCH	3,3-dichloropropyne	chcl2cch
1235	CHCl2CHO	dichloroacetaldehyde	chcl2cho
1236	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1237	CHF2CH2F	Ethane, 1,1,2-trifluoro	ch2fchf2
1238	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1239	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1240	CH2ClCHCl2	1,1,2-trichloroethane	ch2clchcl2
1241	CH3CCl3	Ethane, 1,1,1-trichloro-	ch3ccl3
1242	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1243	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1244	NH3BCl3	Amminetrichloroboron	nh3bcl3
1245	CH2CClCHCH2	1,3-Butadiene, 2-chloro-	c4h5cl
1246	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1247	CH2FCH2CH2F	1,3-difluoropropane	ch2fch2ch2f
1248	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1249	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1250	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1251	CH3CCl2CH3	Propane, 2,2-dichloro-	prdicl22
1252	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1253	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1254	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1255	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1256	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1257	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1258	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1259	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1260	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1261	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1262	C4H9F	1-fluorobutane	butaf1
1263	CH3CHFCH2CH3	2-fluorobutane	butaf2
1264	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1265	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1266	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1267	XeF4	Xenon tetrafluoride	xef4
1268	C2H2N2O	Furazan	furazan
1269	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1270	NH3BF3	Amminetrifluoroboron	nh3bf3
1271	C6H2	hexatriyne	c6h2
1272	C6H4	Benzyne	benzyne
1273	C6H5-	phenyl anion	phenyl-
1274	C6H6	Prismane	prismane
1275	C6H6	1,2,4,5-Hexatetraene	ht1245
1276	C6H6	3,4-Dimethylenecyclobutene	cb34m
1277	C6H6	Benzvalene	bv
1278	C6H6	Dewar Benzene	dewar
1279	C6H6	Hexa-1,5-diene-3-yne	hdy153
1280	C6H6	Trimethylenecycopropane	tmcp
1281	C6H6+	Benzene cation	c6h6+
1282	C6H7+	benzene, protonated	c6h7+
1283	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1284	C6H10	1,5-Hexadiene	c592427
1285	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1286	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1287	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1288	C6H12	(E)-2-Hexene	e2hexene
1289	C6H12	(E)-hex-3-ene	e3hexene
1290	C6H12	(Z)-hex-2-ene	z2hexene
1291	C6H12	(Z)-hex-3-ene	z3hexene
1292	C6H12	2,3-dimethylbut-1-ene	c563780
1293	C6H12	2,3-dimethyl-but-2-ene	tmeet
1294	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1295	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1296	N3P3	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1297	C4H2N2	Fumaronitrile	c4h2n2
1298	C2H2N4	sym-tetrazine	ttz
1299	C5H5N	E-2,4-pentadienenitrile	bdcn
1300	B3N3H6	borazine	borazine
1301	C6H6	Fulvene	fulvene
1302	C5H6N+	Pyridinium	c5h6n
1303	C6H10	Bicyclo[3.1.0]hexane	c285585
1304	Li2CO3	Lithium Carbonate	li2co3
1305	Na2CO3	Sodium Carbonate	na2co3
1306	C2O4--	oxalate anion	c2o4
1307	MgSO4	Magnesium Sulfate	mgso4
1308	C3H2O3	vinylene carbonate	vica
1309	C2H2O4	Oxalic Acid	oxalic
1310	C4H4O2	2(5H)-Furanone	furanone
1311	C2H4N2S2	Ethanedithioamide	c79403
1312	C2H4CO3	Ethylene carbonate	etco3
1313	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1314	C3H4S3	1,3-Dithiolane-2-thione	c822388
1315	C2H4O4	Formic acid dimer	fadimer
1316	C4H5NS	4-Methylthiazole	c693958
1317	C2H5NO3	Nitric acid, ethyl ester	c625581
1318	C5H6O	2H-Pyran	pyran2
1319	C5H6O	2-methylfuran	furan2m
1320	C5H6O	3-Methylfuran	furan3m
1321	C5H6O	Pentadienal	pdal
1322	C5H6S	Thiophene, 2-methyl-	c554143
1323	C5H6S	Thiophene, 3-methyl-	c616444
1324	C4H6O2	γ–Butyrolactone	c96480
1325	C4H6O2	2,3-Butanedione	c431038
1326	C4H6O2	Crotonic Acid	crot
1327	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1328	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1329	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1330	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1331	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1332	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1333	C4H6OS	Vinyl sulfoxide	c1115157
1334	CH6N4S	Carbonothioic dihydrazide	thiacarb
1335	C3H6S3	1,3,5-Trithiane	c3h6s3
1336	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1337	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1338	C4H7NO	Ethoxyacetonitrile	etoaccn
1339	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1340	C3H7ONO	Propyl nitrite	prono
1341	C5H8O	Cyclopentanone	c120923
1342	C5H8O	Methyl cyclopropyl ketone	c765435
1343	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1344	C4H8O2	1,3-Dioxane	dioxan13
1345	C4H8O2	Ethyl acetate	c141786
1346	C4H8OS	s-Ethyl thioacetate	c625605
1347	C3H8O2S	(Methylsulfonyl)ethane	c594434
1348	C5H10O	2-methylbutyraldehyde	2meba
1349	C5H10O	3-Pentanone	dek
1350	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1351	C5H10S	3-Ethylthio-1-propene	c5296628
1352	C5H10S	Cyclopentanethiol	c1679078
1353	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1354	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1355	C4H10OS	Diethyl sulfoxide	c70291
1356	C4H10S2	1,4-Butanedithiol	budisl14
1357	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1358	C5H12S	1-Butanethiol, 3-methyl-	c541311
1359	C5H12S	1-Pentanethiol	c110667
1360	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1361	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1362	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1363	C5H12S	Butane, 1-(methylthio)-	c628295
1364	C5H12S	Ethyl propyl sulfide	c4110503
1365	C5H12S	Propane, 2-(ethylthio)-	c5145993
1366	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1367	C4F2	difluorobutadiyne	c4f2
1368	ClCOClCO	Oxalyl chloride	oxcl
1369	CF3CN	Acetonitrile, trifluoro-	cf3cn
1370	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1371	B2Cl4	Diboron tetrachloride	b2cl4
1372	C2F4+	Tetrafluoroethylene cation	c2f4+
1373	C2ClF3	Ethene, chlorotrifluoro-	c2f3cl
1374	CF2CCl2	difluorodichloroethylene	cf2ccl2
1375	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1376	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1377	C2FCl3	fluorotrichloroethene	c2fcl3
1378	C2Cl4	Tetrachloroethylene	c2cl4
1379	C2Br4	tetrabromoethene	c2br4
1380	AsF5	Arsenic pentafluoride	asf5
1381	PCl5	Phosphorus pentachloride	pcl5
1382	SF5	Sulfur pentafluoride	sf5
1383	SF5+	pentafluoro sulfur cation	sf5+
1384	SbCl5	Antimony pentachloride	sbcl5
1385	BrF5	bromine pentafluoride	brf5
1386	ClF5	chlorinepentafluoride	clf5
1387	IF5	pentafluoroiodine	if5
1388	CF3CHO	trifluoroacetaldehyde	cf3cho
1389	CCl3CHO	trichloroacetaldehyde	ccl3cho
1390	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1391	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1392	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1393	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1394	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1395	CH2ClCCl3	1,1,1,2-tetrachloroethane	ch2clccl3
1396	CH2BrCBr3	1,1,1,2-tetrabromo ethane	c2h2br4
1397	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1398	CF3COOH	trifluoroacetic acid	cf3cooh
1399	C4H3ClO	Furan, 2-chloro	fur2cl
1400	C4H3ClO	Furan,3-chloro	fur3cl
1401	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1402	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1403	C4H8Cl2	1,4-Dichlorobutane	c110565
1404	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1405	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1406	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1407	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1408	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1409	C5H11Cl	Pentane, 1-chloro-	pencl1
1410	C4H8O2	Butanoic acid	bua
1411	C6H5CH2	benzyl radical	benzyl
1412	C7H7	cycloheptatrienyl radical	c7h7
1413	C7H7+	cycloheptatrienyl cation	c7h7+
1414	C7H8	cycloheptatriene	cht
1415	C7H8	Norbornadiene	norbor
1416	C7H8	Quadricyclane	qucy
1417	C7H14	cycloheptane	c7h14
1418	C7H16	3-methylhexane	hex3m
1419	CH(CN)3	tricyanomethane	mecn3
1420	HN=C=C(CN)2	Dicyanoketenimine	c4hn3
1421	C6H7N	2-Methylpyridine	mp
1422	C6H13N	2-Methylpiperidine	pip2m
1423	C6H13N	cyclohexanamine	cham
1424	C6H15N	triethylamine	tea
1425	N2O5	Dinitrogen pentoxide	n2o5
1426	C4H2O3	Maleic Anhydride	malan
1427	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1428	C5H4O2	furfural	furfural
1429	C6H5O	phenoxy radical	phenoxy
1430	C6H6O	2,4-Cyclohexadienone	c24599573
1431	C6H6O	2,5-Cyclohexadienone	c5664335
1432	C6H5SH	Benzenethiol	phsh
1433	HO2CCHNH2CH2OH	Serine	serine
1434	C5H8O2	Acetylacetone	acac
1435	C4H8O2S	Sulfolane	sulfolane
1436	C7H10	Norbornene	norbornene
1437	CH(C2H3)3	trivinyl methane	tvm
1438	C6H12O	hexanal	c6h12o
1439	C6H12O	Oxepane	oxepane
1440	C3H7OC3H7	di-n-propyl ether	propr
1441	F2CCCF2	tetrafluoroallene	pfa
1442	CF3COO-	trifluoro acetate anion	cf3coo-
1443	CF3COF	trifluoroacetyl fluoride	cf3cof
1444	CF3COCl	trifluoroacetyl chloride	cf3cocl
1445	PF6	Hexafluorophosphate neutral	pf6
1446	SF6	Sulfur Hexafluoride	sf6
1447	SeF6	Selenium hexafluoride	sef6
1448	CF3CHF2	pentafluoroethane	cf3chf2
1449	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1450	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1451	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1452	CCl3CHCl2	pentachloroethane	ccl3chcl2
1453	C6H5Cl	chlorobenzene	bzcl
1454	C6H5Br	bromobenzene	bzbr
1455	C8H6	Calicene	calicene
1456	C8H6	benzocyclobutadiene	bcbd
1457	C8H6	Pentalene	pentalene
1458	CH3C6H4CH3	meta-xylene	mxylene
1459	CH3C6H4CH3	paraxylene	pxylene
1460	C8H14	Bicyclo[2.2.2]octane	bico222
1461	C8H16	cyclooctane	cyclooct
1462	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1463	C8H18	Octane	c8h18
1464	C6H12N2	Triethylenediamine	ted
1465	C4O4--	squarate dianion	c4o4--
1466	S4N4	Tetrasulfur tetranitride	s4n4
1467	S8	Octasulfur	s8
1468	C6H4O2	parabenzoquinone	pbq
1469	C4H4N2O2	Uracil	uracil
1470	C5H9NO2	Proline	proline
1471	C6H12O2	Methyl pivalate	c598981
1472	C6H12O2	Hexanoic acid	hexa
1473	C4F4	tetrafluorcyclobutadiene	c4f4
1474	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1475	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1476	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1477	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1478	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1479	C2Cl6	hexachloroethane	c2cl6
1480	IF7	Iodine heptafluoride	if7
1481	C6H4F2	metadifluorobenzene	mdfb
1482	C6H4F2	orthodifluorobenzene	odfb
1483	C6H4F2	1,4-difluorobenzene	pdfb
1484	C6H4Cl2	1,2-dichlorobenzene	dcb12
1485	C6H4Cl2	1,3-dichlorobenzene	dcb13
1486	C6H4Cl2	1,4-dichlorobenzene	dcb14
1487	C6H5NO	nitrosobenzene	bzno
1488	C9H8	Indene	indene
1489	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1490	C9H12	n-propyl benzene	prbz
1491	C9H20	Nonane	nonane
1492	C(CN)4	tetracyanomethane	c5n4
1493	C5H4N4	purine	purine
1494	C8H7N	Indole	indole
1495	C3H3N3O3	cyanuric acid	cyanuric
1496	CH3COC6H5	acetophenone	acph
1497	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1498	C3F6	hexafluoropropene	c3f6
1499	C6H3F3	Benzene trifluoride 123	bzf3a
1500	C8H18O	1-Octanol	octanol
1501	C10H8	Azulene	azu
1502	C10H10	bullvalene	bullv
1503	C6N4	Tetracyanoethylene	tcne
1504	C6N4-	tetracyanoethylene anion	tcne-
1505	C10H22	Decane	decane
1506	C4F6	perfluorobutadiene	c4f6
1507	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1508	C3F8	perfluoropropane	c3f8
1509	Fe(CO)5	Iron pentacarbonyl	ipc
1510	Fe(C5H5)2	ferrocene	fecp2
1511	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1512	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1513	C12H8	Acenaphthylene	acenaph
1514	C12H8	biphenylene	biph
1515	C12H10	biphenyl	biphenyl
1516	C12H10	Heptalene	heptalene
1517	C6H12O6	Inositol	inositol
1518	C6F6	hexafluorobenzene	c6f6
1519	S2F10	disulphur decafluoride	s2f10
1520	C13H10	Fluorene	fluorene
1521	C14H10	Anthracene	anth
1522	C14H10	Phenanthrene	phenanthrene
1523	C14H14	Bibenzyl	bibenzyl
1524	C12H10N2	azobenzene	azobenzene
1525	C6H5COC6H5	benzophenone	benzophenone
1526	C16H10	Pyrene	pyrene
1527	C18H12	Tetracene	tetracene
1528	C19H16	Triphenylmethane	tpm
1529	C24H12	Coronene	coronene
1530	C60	Buckminsterfullerene	c60