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
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IX	Feedback
X	Older CCCBDB versions
XII	Geometries
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XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities

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

List of which calculations are completed at CCSD(T)//B3LYP/6-31G(2df,p) /cc-pVTZ

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count	Species	Name	State	Conformation
1	D	Deuterium atom	1S	Kh
2	H	Hydrogen atom	1S	Kh
3	H+	Hydrogen atom cation		Kh
4	D2	Deuterium diatomic	1Σg	D∞h
5	H2	Hydrogen diatomic	1Σg	D∞h
6	H2-	hydrogen diatomic anion	2Σu+	D∞h
7	H2+	Hydrogen cation	2Σg+	D∞h
8	HD	Deuterium hydride	1Σg	D∞h
9	H3+	hydrogen trimer cation	1A1'	D3h
10	He	Helium atom	1S	Kh
11	Li	Lithium atom	2S	Kh
12	Na	Sodium atom	2S	Kh
13	Na+	Sodium atom cation	1S	Kh
14	LiH	Lithium Hydride	1Σ	C∞v
15	LiH+	lithium hydride cation	2Σ	C∞v
16	NaH	sodium hydride	1Σ	C∞v
17	Be	Beryllium atom	1S	Kh
18	Mg	Magnesium atom	1S	Kh
19	BeH	beryllium monohydride	2Σ	C∞v
20	BeH-	berylium monohydride anion	1Σ	C∞v
21	BeH+	beryllium monohydride cation	1Σ	C∞v
22	MgH	magnesium monohydride	2Σ	C∞v
23	BeH2	beryllium dihydride	1Σg	D∞h
24	MgH2	magnesium dihydride	1Σg	D∞h
25	B	Boron atom	2P	Kh
26	Al	Aluminum atom	2P	Kh
27	BH	Boron monohydride	1Σ	C∞v
28	BH-	boron monohydride anion	2Π	C∞v
29	AlH	aluminum monohydride	1Σ	C∞v
30	BH2	boron dihydride	2A1	C2v
31	AlH2	aluminum dihydride	2A1	C2v
32	BH3	boron trihydride	1A1'	D3h
33	AlH3	aluminum trihydride	1A1'	D3h
34	BH4-	borohydride anion	1A1	Td
35	AlH4-	Aluminum tetrahydride anion	1A1	Td
36	C	Carbon atom	3P0	Kh
37	Si	Silicon atom	3P	Kh
38	CH	Methylidyne	2Π1/2	C∞v
39	CH-	methylidyne anion	3Σ	C∞v
40	CH+	Methylidyne cation	1Σ	C∞v
41	SiH	Silylidyne	2Π	C∞v
42	CH2	Methylene	3B1	C2v
43	SiH2	silicon dihydride	1A1	C2v
44	CH3	Methyl radical	2A1	D3h
45	CH3-	methyl anion	1A1	C3v
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 anion	2Π	C∞v
52	NH+	imidogen cation	2Π	C∞v
53	PH	phosphorus monohydride	3Σ-	C∞v
54	ND2	Amidogen-d2	2B1	C2v
55	NH2	Amino radical	2B1	C2v
56	PH2	Phosphino radical	2B1	C2v
57	ND3	Ammonia-d3	1A1	C3v
58	NH3	Ammonia	1A1	C3v
59	NH3+	ammonia cation	2A2"	D3h
60	PH3	Phosphine	1A1	C3v
61	NH4+	ammonium cation	1A1	Td
62	O	Oxygen atom	3S	Kh
63	S	Sulfur atom	3P	Kh
64	Se	Selenium atom	3P	Kh
65	DO	Hydroxyl-d	2Π	C∞v
66	OH	Hydroxyl radical	2Π	C∞v
67	OH-	hydroxide anion	1Σ	C∞v
68	OH+	hydoxyl cation	3Σ	C∞v
69	DS	Mercapto-d	2Π	C∞v
70	HS	Mercapto radical	2Π	C∞v
71	HS-	mercapto anion	1Σ	C∞v
72	D2O	Deuterium oxide	1A1	C2v
73	H2O	Water	1A1	C2v
74	HDO	Water-d1	1A1	C2v
75	D2S	Hydrogen sulfide-d2	1A1	C2v
76	H2S	Hydrogen sulfide	1A1	C2v
77	H2Se	Hydrogen selenide	1A1	C2v
78	H3O+	hydronium cation	1A1	C3v
79	F	Fluorine atom	2P	Kh
80	Cl	Chlorine atom	2P	Kh
81	Br	Bromine atom	2P	Kh
82	DF	Hydrofluoric acid-d	1Σ	C∞v
83	HF	Hydrogen fluoride	1Σ	C∞v
84	HF-	hydrogen fluoride anion	2Σ	C∞v
85	HF+	hydrogen fluoride cation	2Π	C∞v
86	DCl	Hydrochloric acid-d	1Σ	C∞v
87	HCl	Hydrogen chloride	1Σ	C∞v
88	HBr	hydrogen bromide	1Σ	C∞v
89	H2F+	dihydrogen fluoride cation	1A1	C2v
90	Ne	Neon atom	1S	Kh
91	Ar	Argon atom	1S	Kh
92	NeH+	neon hydrogen cation	1Σ	C∞v
93	Li2	Lithium diatomic	1Σg	D∞v
94	Li2+	lithium diatomic cation	2Σg	D∞h
95	NaLi	lithium sodium	1Σ	C∞v
96	Na2	Sodium diatomic	1Σg	D∞h
97	Be2+	Beryllium diatomic cation	2Σu	D∞h
98	Mg2	Magnesium diatomic	1Σg	D∞h
99	Al2	Aluminum diatomic	3Σg	D∞h
100	B2H6	Diborane	1Ag	D2h
101	C2	Carbon diatomic	1Σg+	D∞h
102	C2-	carbon diatomic anion	2Σg	D∞h
103	C2+	carbon diatomic cation	2Π	D∞h
104	C2H	Ethynyl radical	2Σ	C∞v
105	C2H2	Acetylene	1Σg	D∞h
106	C2H2+	acetylene cation	2Πu	D∞h
107	CCH2	vinylidene	1A1	C2v
108	C2H3	vinyl	2A'	Cs
109	C2H4	Ethylene	1Ag	D2h
110	C2H5	Ethyl radical	2A'	Cs
111	C2H6	Ethane	1A1g	D3d
112	CH3SiH3	methyl silane	1A1	C3
113	Si2H6	disilane	1Eu	D3d
114	BN-	boron nitride anion	2Σ	C∞v
115	BN	boron nitride	3Π	C∞v
116	AlN	Aluminum nitride	3Πi	C∞v
117	CN	Cyano radical	2Σ	C∞v
118	CN-	cyanide anion	1Σ	C∞v
119	CN+	Cyano cation	1Σ	C∞v
120	CP	Carbon monophosphide	2Σ	C∞v
121	SiN	Silicon nitride	2Σ	C∞v
122	N2	Nitrogen diatomic	1Σg	D∞h
123	N2-	nitrogen diatomic anion	2Πg	D∞h
124	N2+	diatomic nitrogen cation	2Σg	D∞h
125	PN	Phosphorus mononitride	1Σ	C∞v
126	P2	Phosphorus diatomic	1Σg	D∞h
127	HNC	hydrogen isocyanide	1Σ	C∞v
128	HCN	Hydrogen cyanide	1Σ	C∞v
129	HCP	Phosphaethyne	1Σ	C∞v
130	NNH	Dinitrogen monohydride	2A'	Cs
131	HPO	Hydrogen phosphorus oxide	1A'	Cs
132	N2H2	(E)-diazene	1Ag	C2h
133	CH2NH	Methanimine	1A'	Cs
134	CH2NH2+	methyleneamine cation	1A1	C2v
135	N2H4	Hydrazine	1A	C2
136	P2H4	Diphosphine	1A	C2
137	CH3NH2	methyl amine	1A'	Cs
138	CH3PH2	Methyl phosphine	1A'	Cs
139	LiO	lithium oxide	2Σ	C∞v
140	NaO	sodium monoxide	2Σ	C∞v
141	BeO	beryllium oxide	1Σ	C∞v
142	BeS	beryllium sulfide	1Σ	C∞v
143	MgO	magnesium oxide	1Σ+	C∞v
144	MgS	magnesium sulfide	1Σ	C∞v
145	BO	boron monoxide	2Σ	C∞v
146	AlO	Aluminum monoxide	2Σ	C∞v
147	BS	boron sulfide	2Σ	C∞v
148	AlS	Aluminum sulfide	2Σ	C∞v
149	BO+	boron monoxide cation	1Σ	C∞v
150	CO	Carbon monoxide	1Σ	C∞v
151	CO-	carbon monoxide anion	2Π	C∞v
152	CS	carbon monosulfide	1Σ	C∞v
153	SiO	Silicon monoxide	1Σ	C∞v
154	SiS	silicon monosulfide	1Σ	C∞v
155	CSe	Carbon monoselenide	1Σ	C∞v
156	NO	Nitric oxide	2Π	C∞v
157	NO-	nitric oxide anion	3Σ	C∞v
158	NO+	nitric oxide cation	1Σ	C∞v
159	NS	Mononitrogen monosulfide	2Π	C∞v
160	PO	Phosphorus monoxide	2Π	C∞v
161	PS	phosphorus sulfide	2Σ	C∞v
162	O2	Oxygen diatomic	3Σg	D∞h
163	O2-	oxygen diatomic anion	2Π	D∞h
164	O2+	diatomic oxygen cation	2Πg	D∞h
165	SO	Sulfur monoxide	3Σ	C∞v
166	S2	Sulfur diatomic	3Σg	D∞h
167	SeO	Selenium monoxide	3Σ	C∞v
168	SeS	Selenium monosulfide	3Σ	C∞v
169	Se2	Selenium diatomic	3Σg	D∞h
170	LiOH	lithium hydroxide	1Σ	C∞v
171	NaOH	sodium hydroxide	1Σ	C∞v
172	BeOH	beryllium monohydroxide	2A'	Cs
173	MgOH	magnesium hydroxide	2A'	Cs
174	HBO	Boron hydride oxide	1Σ	C∞v
175	HBS	hydrogen boron sulfide	1Σ	C∞v
176	HCO	Formyl radical	2A'	Cs
177	HCS	Thioformyl radical	2A'	Cs
178	HNO	Nitrosyl hydride	1A'	Cs
179	HO2	Hydroperoxy radical	2A"	Cs
180	H2CO	Formaldehyde	1A1	C2v
181	H2CS	Thioformaldehyde	1A1	C2v
182	H2O2	Hydrogen peroxide	1A	C2
183	H2S2	Disulfane	1A	C2
184	CH2OH	Hydroxymethyl radical	2A	C1
185	CH2OH+	hydroxymethyl cation	1A'	Cs
186	CH3O	Methoxy radical	2A'	C1
187	CH3S	thiomethoxy	2A'	C3v
188	NH2OH	hydroxylamine	1A'	Cs
189	CH3OH	Methyl alcohol	1A'	Cs
190	CH3SH	Methanethiol	1A'	Cs
191	CH3SeH	Methane selenol	1A'	Cs
192	LiF	lithium fluoride	1Σ	C∞v
193	LiCl	lithium chloride	1Σ	C∞v
194	NaF	sodium fluoride	1Σ	C∞v
195	NaCl	Sodium Chloride	1Σ	C∞v
196	LiBr	Lithium Bromide	1Σ	C∞v
197	NaBr	Sodium Bromide	1Σ	C∞v
198	BeF	Beryllium monofluoride	2Σ	C∞v
199	BeCl	beryllium monochloride	2Σ	C∞v
200	MgF	Magnesium monofluoride	2Σ	C∞v
201	MgCl	magnesium monochloride	2Σ	C∞v
202	BF	Boron monofluoride	1Σ	C∞v
203	AlF	Aluminum monofluoride	1Σ+	C∞v
204	BCl	boron monochloride	1Σ	C∞v
205	CF	Fluoromethylidyne	2Π	C∞v
206	CF+	carbon monofluoride cation	1Σ	C∞v
207	CCl	carbon monochloride	2Π	C∞v
208	SiF	silicon monofluoride	2Π	C∞v
209	SiCl	Clorosilylidyne	2Π	C∞v
210	NF	nitrogen fluoride	3Σ	C∞v
211	PF	phosphorus monofluoride	3Σ	C∞v
212	PCl	phosphorus chloride	3Σ	C∞v
213	FO	Oxygen monofluoride	2Π	C∞v
214	FO-	flourine oxide anion	1Σ	C∞v
215	FO+	fluorine monoxide cation	3Σ	C∞v
216	ClO	Monochlorine monoxide	2Π	C∞v
217	SF	Monosulfur monofluoride	2Π	C∞v
218	SCl	sulfur monochloride	2Π	C∞v
219	BrCl	Bromine monochloride	1Σ	C∞v
220	F2	Fluorine diatomic	1Σg	D∞h
221	F2-	flourine diatomic anion	2Σu	D∞h
222	F2+	flourine diatomic cation	2Πg	D∞h
223	ClF	Chlorine monofluoride	1Σ+	C∞v
224	Cl2	Chlorine diatomic	1Σg	D∞h
225	BrF	Bromine monofluoride	1Σ	C∞v
226	Br2	Bromine diatomic	1Σg	D∞h
227	HCF	Fluoromethylene	1A'	Cs
228	HOF	Hypofluorous acid	1A'	Cs
229	DOCl	Hypochlorous acid-d	1A'	Cs
230	HOCl	hypochlorous acid	1A'	Cs
231	HOBr	Hypobromous acid	1A'	Cs
232	H2F2	Hydrogen fluoride dimer	1Ag	Cs
233	CH3F	Methyl fluoride	1A1	C3v
234	CH3Cl	Methyl chloride	1A1	C3v
235	SiH3F	monofluorosilane	1A1	C3v
236	SiH3Cl	chlorosilane	1A1	C1
237	CH3Br	methyl bromide	1A1	C3v
238	C3	carbon trimer	1Σg	D∞h
239	C3H3	Propargyl radical	2B1	Cs
240	CH2CCH2	allene	1A1	D2d
241	CH3CCH	propyne	1A'	C3v
242	C3H6	Cyclopropane	1A1'	D3h
243	CH2CHCH3	Propene	1A'	Cs
244	C3H7	n-Propyl radical	2A"	C1
245	C3H8	Propane	1A1	C2v
246	HN3	hydrogen azide	1A'	Cs
247	CH3CN	Acetonitrile	1A1	C3v
248	CH3NC	methyl isocyanide	1A1	C3v
249	NHCHNH2	aminomethanimine	1A	C1
250	C2H5N	Aziridine	1A'	C1
251	CH3CH2NH2	Ethylamine	1A'	Cs
252	CH3NHCH3	Dimethylamine	1A'	Cs
253	Li2O	dilithium oxide	1Σg	D∞h
254	SCN-	thiocyanide anion	1Σ	C∞v
255	BO2	Boron dioxide	2A'	D∞h
256	N2O	Nitrous oxide	1Σ	C∞v
257	CO2	Carbon dioxide	1Σg	D∞h
258	OCS	Carbonyl sulfide	1Σ	C∞v
259	SiO2	silicon dioxide	1Σg	D∞h
260	CS2	Carbon disulfide	1Σg	D∞h
261	OCSe	Carbonyl selenide	1Σ	C∞v
262	NO2	Nitrogen dioxide	2A1	C2v
263	PO2	Phosphorus dioxide	2A1	C2v
264	O3	Ozone	1A1	Cs
265	SO2	Sulfur dioxide	1A1	C2v
266	SSO	Disulfur monoxide	1A'	Cs
267	SeO2	Selenium dioxide	1A1	C2v
268	HCCO	ketenyl radical	2Π	C∞v
269	HCNO	fulminic acid	1Σ	C∞v
270	HNCO	Isocyanic acid	1A'	Cs
271	HOCN	cyanic acid	1A'	Cs
272	HCO2-	formate anion	1A1	C2v
273	HNO2	Nitrous acid	1A'	Cs
274	CH2CO	Ketene	1A1	C2v
275	CH2O2	Dioxirane	1A1	C2v
276	HCOOH	Formic acid	1A'	Cs
277	CH3CO	Acetyl radical	2A'	Cs
278	CHONH2	formamide	1A'	Planar
279	CH3OO	methylperoxy radical	2A"	Cs
280	C2H4O	Ethylene oxide	1A1	C2v
281	CH2CHOH	ethenol	1A'	Cs
282	CH3CHO	Acetaldehyde	1A'	Cs
283	C2H4S	Thiirane	1A1	C2v
284	CH3CHS	Thioacetaldehyde	1A'	C1
285	CH3CH2OH	Ethanol	1A'	Cs
286	CH3OCH3	Dimethyl ether	1A1	C2v
287	CH3CH2SH	ethanethiol	1A'	Cs
288	CH3SCH3	Dimethyl sulfide	1A1	C2v
289	ClCN	chlorocyanogen	1Σ	C∞v
290	BrCN	Cyanogen bromide	1Σ	C∞v
291	MgCl2	Magnesium dichloride	1Σg	C2v
292	FNO	Nitrosyl fluoride	1A'	Cs
293	ClNO	Nitrosyl chloride	1A'	Cs
294	CF2	Difluoromethylene	1A1	D∞h
295	CCl2	dichloromethylene	1A1	C2v
296	SiCl2	Dichlorosilylene	1A1	C2v
297	FOO	Dioxygen monofluoride radical	2A"	Cs
298	ClOO	chloroperoxy radical	2A"	Cs
299	OClO	Chlorine dioxide	2B1	D∞h
300	ClS2	Sulfur chloride	2A"	Cs
301	NF2	Difluoroamino radical	2B1	C2v
302	F2O	Difluorine monoxide	1A1	C2v
303	SF2	sulfur difluoride	1A1	C2v
304	Cl2O	Dichlorine monoxide	1A1	C2v
305	SCl2	Sulfur dichloride	1A1	C2v
306	HCCF	Fluoroacetylene	1Σ	C∞v
307	HFCO	formyl fluoride	1A'	Cs
308	BHF2	Difluoroborane	1A1	C2v
309	BHCl2	Borane, dichloro-	1A1	C2v
310	CH2F2	Methane, difluoro-	1A1	C2v
311	CH2FCl	fluorochloromethane	1A'	Cs
312	CH2Cl2	Methylene chloride	1A1	C2v
313	CH2Br2	dibromomethane	1A1	C2v
314	SiH2Cl2	dichlorosilane	1A1	C2v
315	CH2CHF	Ethene, fluoro-	1A'	Cs
316	C2H3Cl	Ethene, chloro-	1A'	Cs
317	C2H5F	fluoroethane	1A'	Cs
318	CH3CH2Cl	Ethyl chloride	1A'	Cs
319	C4	Carbon tetramer	3Σg	D∞h
320	C4H2	Diacetylene	1Σg	D∞h
321	C2H3CCH	1-Buten-3-yne	1A'	C1
322	H2CCCCH2	Butatriene	1Ag	D2h
323	C4H6	1-Methylcyclopropene	1A	C1
324	C4H6	Cyclobutene	1A1	C2v
325	C4H6	Methylenecyclopropane	1A1	C2v
326	CH3CCCH3	2-Butyne	1A1'	D3h
327	CH2C(CH3)CH3	1-Propene, 2-methyl-	1A1	C2v
328	CH3CHCHCH3	2-Butene, (E)-	1Ag	C2h
329	C(CH3)3	Tert-butyl radical	2A"	C3v
330	CH3CH2CH2CH3	Butane	1Ag	Anti
331	C2N2	Cyanogen	1Σg	D∞h
332	P4	Phosphorus tetramer	1A1	Td
333	HCCCN	Cyanoacetylene	1Σ	C∞v
334	C3H3N	acrylonitrile	1A'	Cs
335	C3H7N	Cyclopropylamine	1A'	C1
336	C4H8	cyclobutane	1A1	D2d
337	C2H8N2	Ethylenediamine	1Ag	C2h
338	CH3CH(NH2)CH3	2-Propanamine	1A'	Cs
339	N(CH3)3	Trimethylamine	1A1	C3v
340	B2O2	Diboron dioxide	1Σg	D∞h
341	CO3--	carbonate	1A1'	D3h
342	SO3	Sulfur trioxide	1A1'	D3h
343	HNO3	Nitric acid	1A'	Cs
344	C2H2O2	Ethanedial	1Ag	C2h
345	CH3COO-	acetate anion	1A'	eclipsed
346	CH3NO2	Methane, nitro-	1A'	Cs
347	CH3ONO	Methyl nitrite	1A'	C1
348	C3H4O	allenol	1A'	Cs
349	C3H4O	Cyclopropanone	1A1	C2v
350	NH2CONH2	Urea	1A	C2
351	CH3COOH	Acetic acid	1A'	Cs
352	CH3OCHO	methyl formate	1A'	Cs
353	CHOCH2OH	hydroxy acetaldehyde	1A'	CS H in
354	CH3CHNOH	Acetaldoxime	1A'	CS trans
355	CH3CONH2	Acetamide	1A'	C1
356	C3H6O	Propylene oxide	1A	C1
357	CH3COCH3	Acetone	1A1	C2v
358	C3H6S	Thietane	1A'	Cs
359	C3H6S	Thiirane, methyl-	1A	C1
360	C2H6O2	1,2-Ethanediol	1Ag	C2h
361	CH3SOCH3	Dimethyl sulfoxide	1A'	Cs
362	CH2SHCH2SH	1,2-Ethanedithiol	1Ag	C2h
363	CH3SSCH3	Disulfide, dimethyl	1A	C2
364	C3H7OH	1-Propanol	1A'	Cs
365	CH3OC2H5	Ethane, methoxy-	1A'	Cs
366	C3H7SH	1-Propanethiol	1A'	Cs
367	CH3CHSHCH3	2-Propanethiol	1A'	Cs
368	CH3SCH2CH3	Ethane, (methylthio)-	1A'	Cs
369	Na2Cl2	Disodium dichloride	1Ag	C2h
370	C2F2	difluoroacetylene	1Σg	D∞h
371	C2Cl2	dichloroacetylene	1Σg	C2h
372	ClNO2	Nitryl chloride	1A1	C2v
373	N2F2	(Z)-Difluorodiazene	1A1	C2v
374	N2F2	Dinitrogen difluoride, (E)-	1Ag	C2h
375	CF2O	Carbonic difluoride	1A1	C2v
376	CCl2O	Phosgene	1A1	C2v
377	BF3	Borane, trifluoro-	1A'	D3h
378	AlF3	Aluminum trifluoride	1A1'	D3h
379	AlF2Cl	Aluminum chloride difluoride	1A1	C2v
380	AlFCl2	Aluminum dichloride fluoride	1A1	C2v
381	BCl3	Borane, trichloro-	1A1'	D3h
382	AlCl3	Aluminum trichloride	1A1'	D3h
383	ClO3-	chlorate anion	1A1	C3v
384	CF3	Trifluoromethyl radical	2A1	C3v
385	SOCl2	thionyl chloride	1A'	Cs
386	NF3	Nitrogen trifluoride	1A1	C3v
387	PF3	Phosphorus trifluoride	1A1	C3v
388	PCl3	Phosphorus trichloride	1A1	C3v
389	ClSSCl	Disulfur dichloride	1A	C2
390	BrF3	Bromine trifluoride	1A1	C2v
391	CHF3	Methane, trifluoro-	1A1	C3v
392	CHF2Cl	difluorochloromethane	1A'	Cs
393	CHFCl2	fluorodichloromethane	1A'	Cs
394	CHCl3	Chloroform	1A1	C3v
395	SiHCl3	Trichlorosilane	1A1	C3v
396	CHBr3	bromoform	1A1	C3v
397	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	1A1	C2v
398	CH2CF2	Ethene, 1,1-difluoro-	1A1	C2v
399	CH2CCl2	Ethene, 1,1-dichloro-	1A1	C2v
400	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	1Ag	C2h
401	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	1A1	C2v
402	CH3COF	Acetyl fluoride	1A'	NULL
403	CH3COCl	Acetyl Chloride	1A'	Cs
404	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
405	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	1A	C1
406	CH2ClCH2Cl	Ethane, 1,2-dichloro-	1Ag	C2h
407	CH3CHCl2	Ethane, 1,1-dichloro-	1A'	Cs
408	C3H5Cl	1-chloro-1-propene(E)	1A'	Cs
409	C5H5-	cylopentadienyl anion	1A1'	D5h
410	C5H6	1,3-Cyclopentadiene	1A1	C2v
411	C5H6	1-Buten-3-yne, 2-methyl-	1A'	Cs
412	C5H6	3-Penten-1-yne, (E)-	1A'	Cs
413	C5H6	3-Penten-1-yne, (Z)-	1A'	Cs
414	C5H8	1,3-Pentadiene, (E)-	1A'	C1
415	C5H12	Pentane	1A1	C2v
416	C5H12	Propane, 2,2-dimethyl-	1A1	Td
417	C3H2N2	Malononitrile	1A1	Cs
418	C3H4N2	1H-Imidazole	1A'	Cs
419	C3H4N2	1H-Pyrazole	1A'	Cs
420	C4H5N	Cyclopropanecarbonitrile	1A'	Cs
421	C4H5N	Pyrrole	1A1	C2v
422	C5H8	Spiropentane	1A1	D2d
423	C4H9N	Pyrrolidine	1A'	Cs
424	C3O2	Carbon suboxide	1ΣG	D∞h
425	PO4---	phosphate	1A1	Td
426	SO4--	sulfate	1A1	Td
427	H2SO4	Sulfuric acid	1A	C1
428	C3H3NO	Isoxazole	1A'	Cs
429	CH3NO3	Methyl nitrate	1A'	Cs
430	C4H4O	Furan	1A1	C2
431	C4H4S	Thiophene	1A1	C2v
432	C3H4O2	β–Propiolactone	1A'	Cs
433	C3H4O2	2-Propenoic acid	1A'	Cs
434	C3H4O2	propanedial	1A	C1
435	C3H4O2	propenalol	1A'	Cs
436	CH2CHCONH2	Acrylamide	1A	Cs
437	CH5N3S	Hydrazinecarbothioamide	1A	C1
438	H2NCH2COOH	Glycine	1A'	Cs
439	C4H6O	cis-2-butenal	1A	Cs
440	C4H6O	Cyclobutanone	1A1	C2v
441	C4H6O	Furan, 2,3-dihydro-	1A	C1
442	C4H6O	Furan, 2,5-dihydro-	1A1	Cs
443	CH2CHOCHCH2	Vinyl ether	1A1	C2v
444	CHOCHCHCH3	2-Butenal	1A'	Cs
445	C4H6S	Thiophene, 2,3-dihydro-	1A	C1
446	CH3COOCH3	methyl acetate	1A'	Cs
447	C2H6O2S	Dimethyl sulfone	1A1	C2v
448	CH3SSSCH3	dimethyl trisulfide	1A	C2
449	C4H8O	Cyclobutanol	1A'	C1
450	C3H8O2	Hydroperoxide, 1-methylethyl	1A	C1
451	C3H8S2	1,3-Propanedithiol	1A1	C1
452	FNO3	Fluorine nitrate	1A'	Cs
453	ClO4-	perchlorate anion	1A1	Td
454	BF4-	tetrafluoroboron anion	1A1	Td
455	ClFO3	Perchloryl fluoride	1A1	Cs
456	SO2Cl2	Sulfuryl chloride	1A1	C2v
457	F3NO	Nitrogen trifluoride oxide	1A1	C3v
458	F3PO	Phosphoryl fluoride	1A1	C3v
459	Cl3PO	Phosphoryl chloride	1A1	C3v
460	CF4	Carbon tetrafluoride	1A1	Td
461	CF3Cl	Methane, chlorotrifluoro-	1A1	C3v
462	SiF4	Silicon tetrafluoride	1A1	Td
463	CF2Cl2	difluorodichloromethane	1A1	C2v
464	CFCl3	Trichloromonofluoromethane	1A1	C3v
465	CCl4	Carbon tetrachloride	1A1	Td
466	SiCl4	Silane, tetrachloro-	1A1	Td
467	CBr4	Carbon tetrabromide	1A1	Td
468	SF4	Sulfur tetrafluoride	1A1	C2v
469	C2HF3	Trifluoroethylene	1A'	Cs
470	CHClCCl2	Trichloroethylene	1A'	Cs
471	HSO3F	Fluorosulfonic acid	1A	C1
472	CH3CF3	Ethane, 1,1,1-trifluoro-	1A1	C3v
473	CH3CCl3	Ethane, 1,1,1-trichloro-	1A1	C3v
474	C3H5ClO	Oxirane, (chloromethyl)-	1A	C1
475	CH2ClCHClCH3	Propane, 1,2-dichloro-	1A	C1
476	CH3CCl2CH3	Propane, 2,2-dichloro-	1A1	C2v

Species NOT done yet

count	Species	Name	file name	problem
1	D-	Deuterium atom anion	d-
2	D+	Deuterium atom cation	d+
3	H-	Hydrogen atom anion	h-
4	He-	Helium atom anion	he-
5	He+	Helium atom cation	he+
6	HeH	Helium hydride	heh
7	HeH+	Helium hydride cation	heh+
8	He2+	helium diatomic cation	he2+
9	Li-	Lithium atom anion	li-
10	Li+	Lithium atom cation	li+
11	Na-	Sodium atom anion	na-
12	K	Potassium atom	k
13	K-	Potassium atom anion	k-
14	K+	Potassium atom cation	k+
15	Cu	Copper atom	cu
16	Cu-	Copper atom anion	cu-
17	Cu+	Copper atom cation	cu+
18	LiH-	lithium hydride anion	lih-
19	NaH-	sodium hydride anion	nah-
20	NaH+	sodium hydride cation	nah+
21	KH	Potassium hydride	kh
22	KH+	Potassium hydrogen cation	kh+
23	CuH	Copper monohydride	cuh
24	Be-	Beryllium atom anion	be-
25	Be+	Beryllium atom cation	be+
26	Mg-	Magnesium atom anion	mg-
27	Mg+	Magnesium atom cation	mg+
28	Ca	Calcium atom	ca
29	Ca-	Calcium atom anion	ca-
30	Ca+	Calcium atom cation	ca+
31	Zn	Zinc atom	zn
32	Zn-	Zinc atom anion	zn-
33	Zn+	Zinc atom cation	zn+
34	MgH-	magnesium monohydride anion	mgh-
35	MgH+	magnesium monohydride cation	mgh+
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 anion	al-
47	Al+	Aluminum atom cation	al+
48	Sc	Scandium atom	sc
49	Sc+	Scandium cation	sc+
50	Ga	Gallium atom	ga
51	Ga-	Gallium atom anion	ga-
52	Ga+	Gallium atom cation	ga+
53	BH+	boron monohydride cation	bh+
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 anion	alh2-
63	AlH2+	aluminum dihydride cation	alh2+
64	BH3-	boron trihydride anion	bh3-
65	BH3+	boron trihydride cation	bh3+
66	AlH3-	aluminum trihydride anion	alh3-
67	AlH3+	aluminum trihydride cation	alh3+
68	ScH3	Scandium trihydride	sch3
69	GaH3	Gallium trihydride	gah3
70	BH4	borohydride	bh4
71	C-	Carbon atom anion	c-
72	C+	Carbon atom cation	c+
73	Si-	Silicon atom anion	si-
74	Si+	Silicon atom cation	si+
75	Ti	Titanium atom	ti
76	Ti-	Titanium atom anion	ti-
77	Ti+	Titanium atom cation	ti+
78	Ge	Germanium atom	ge
79	Ge-	Germanium anion	ge-
80	Ge+	Germanium cation	ge+
81	Sn	Tin atom	sn
82	Sn+	Tin cation	sn+
83	SiH-	silicon monohydride anion	sih-
84	SiH+	silicon monohydride cation	sih+
85	GeH	germylidene	geh
86	GeH+	Germaniun monohyrdide cation	geh+
87	CH2-	methylene anion	ch2-
88	CH2+	methylene cation	ch2+
89	SiH2-	silicon dihydride anion	sih2-
90	SiH2+	silicon dihydride cation	sih2+
91	GeH2	germylene	geh2
92	GeH2-	germylene anion	geh2-
93	CH3+	methyl cation	ch3+
94	SiH3-	Silyl anion	sih3-
95	SiH3+	Silyl cation	sih3+
96	GeH3	Germyl radical	geh3
97	GeH3+	germyl cation	geh3+
98	CD4	methane-d4	cd4
99	CH2D2	methane-d2	ch2d2
100	CH3D	methane-d	ch3d
101	CH4-	Methane anion	ch4-
102	CH4+	Methane cation	ch4+
103	CHD3	methane-d3	chd3
104	SiH2D2	silane-d2	sih2d2
105	SiH4+	Silane cation	sih4+
106	GeH4	Germane	geh4
107	SnH4	Stannane	snh4
108	SiH5+	Silane, protonated	sih5+
109	N	Nitrogen atom	n
110	N-	Nitrogen atom anion	n-
111	N+	Nitrogen atom cation	n+
112	P-	Phosphorus atom anion	p-
113	P+	Phosphorus atom cation	p+
114	V	Vanadium atom	v
115	V+	Vanadium atom cation	v+
116	As	Arsenic atomic	as
117	As-	Arsenic anion	as-
118	As+	Arsenic cation	as+
119	Sb	Antimony atom	sb
120	PH-	phosphorus monohydride anion	ph-
121	PH+	phosphorus monohydride cation	ph+
122	AsH	Arsenic monohydride	ash
123	AsH+	Arsenic monohydride cation	ash+
124	SbH	Antimony monohydride	sbh
125	NH2-	amino anion	nh2-
126	NH2+	Amino cation	nh2+
127	PH2-	Phosphino anion	ph2-
128	PH2+	Phosphino cation	ph2+
129	AsH2	Arsenic dihydride	ash2
130	AsH2+	Arsenic dihydride cation	ash2+
131	NH3-	Ammonia anion	nh3-
132	PH3+	Phosphine cation	ph3+
133	AsH3	Arsine	ash3
134	AsH3+	Arsine cation	ash3+
135	SbH3	Stibine	sbh3
136	AsH4+	Arsonium	ash4+
137	NH4	Ammonium radical	nh4
138	PH4	Phosphoranyl radical	ph4
139	PH4+	phosphonium cation	ph4+
140	O-	Oxygen atom anion	o-
141	O+	Oxygen atom cation	o+
142	S-	Sulfur atom anion	s-
143	S+	Sulfur atom cation	s+
144	Cr	Chromium atom	cr
145	Se-	Selenium atom anion	se-
146	Se+	Selenium atom cation	se+
147	Te	Tellurium atom	te
148	Te+	Tellurium atom cation	te+
149	HS+	sulfur monohydride cation	sh+
150	CrH	Chromium hydride	crh
151	CrH+	Chromium hydride cation	crh+
152	HSe	Selenium monohydride	hse
153	HSe-	selenium monohydride anion	hse-
154	HSe+	selenium monohydride cation	hse+
155	TeH	Telluryl radical	teh
156	H2O-	water anion	h2o-
157	H2O+	water cation	h2o+
158	H2S-	Hydrogen sulfide anion	h2s-
159	H2S+	Hydrogen sulfide cation	h2s+
160	H2Se+	Hydrogen selenide cation	h2se+
161	H2Te	Hydrogen Telluride	h2te
162	H3S+	Sulfonium cation	h3s+
163	H3Se+	Hydrogen Selenide, protonated	h3se+
164	F-	Fluorine atom anion	f-
165	F+	Fluorine atom cation	f+
166	Cl-	Chlorine atom anion	cl-
167	Cl+	Chlorine atom cation	cl+
168	Mn	Manganese atom	mn
169	Br-	Bromine atom anion	br-
170	Br+	Bromine atom cation	br+
171	I	Iodine atom	iodine
172	I-	Iodine atom anion	iodine-
173	I+	Iodine atom cation	iodine+
174	HCl-	hydrogen chloride anion	hcl-
175	HCl+	hydrogen chloride cation	hcl+
176	HBr-	hydrogen bromide anion	hbr-
177	HBr+	hydrogen bromide cation	hbr+
178	HI	Hydrogen iodide	hi
179	HI+	Hydrogen iodide cation	hi+
180	H2Cl+	dihydrogen monochloride cation	h2cl+
181	H2Br+	protonated hydrogen bromide	h2br+
182	H2I+	Iodonium	h2i+
183	Ne-	Neon atom anion	ne-
184	Ne+	Neon atom cation	ne+
185	Ar-	Argon atom anion	ar-
186	Ar+	Argon atom cation	ar+
187	Fe	Iron atom	fe
188	Kr	Krypton atom	kr
189	Kr+	Krypton cation	kr+
190	Xe	Xenon atom	xe
191	HeLi+	Helium Lithium cation	heli+
192	NeH	neon hydrogen	neh
193	ArH+	Argon hydride cation	arh+
194	KrH+	Protonated Krypton	krh+
195	XeH+	Xenon, protonated	xeh+
196	H2Ar	H2 Ar dimer	h2ar
197	Co	Cobalt atom	cobalt
198	Ni	Nickel atom	ni
199	Li2-	lithium diatomic anion	li2-
200	NaLi-	lithium sodium anion	lina-
201	NaLi+	lithium sodium cation	lina+
202	LiK	Lithium Potassium	lik
203	Na2-	sodium diatomic anion	na2-
204	Na2+	sodium diatomic cation	na2+
205	NaK	Sodium Potassium	nak
206	NaK+	Sodium Potassium diatomic cation	nak+
207	K2	Potassium diatomic	k2
208	Cu2	Copper diatomic	cu2
209	LiBe	Lithium Beryllium	libe
210	LiMg	Lithium magnesium	limg
211	NaBe	Sodium Beryllium	nabe
212	NaMg	Sodium Magnesium	namg
213	Be2	Beryllium diatomic	be2
214	Be2-	Beryllium diatomic anion	be2-
215	BeMg	Beryllium Magnesium	bemg
216	Mg2-	magnesium diatomic anion	mg2-
217	Mg2+	magnesium diatomic cation	mg2+
218	Ca2	Calcium diatomic	ca2
219	LiB	Lithium boride	lib
220	LiAl	Lithium Aluminum	lial
221	NaAl	Sodium aluminum	naal
222	BeB	Beryllium monoboride	beb
223	B2	Boron diatomic	b2
224	B2-	Boron diatomic anion	b2-
225	B2+	Boron diatomic cation	b2+
226	BAl	Boron Aluminum	bal
227	Al2-	aluminum diatomic anion	al2-
228	Al2+	aluminum diatomic cation	al2+
229	BGa	Boron Gallium	bga
230	AlGa	Aluminum Gallium	alga
231	Ga2	Gallium diatomic	ga2
232	HBBH	Diborane(2)	hbbh
233	LiBH4	Lithium borohydride	libh4
234	B2H4	Diborane(4) D2d	b2h4
235	HBHHBH	Diborane(4) C2V	hbhhbh
236	B2H6+	Diborane cation	b2h6
237	Al2H6	dialane	al2h6
238	Ga2H6	digallane	ga2h6
239	LiC	Lithium Carbide	lic
240	BeC	Beryllium Carbide	bec
241	CaC	Calcium monocarbide	cac
242	BC	boron monocarbide	bc
243	BC-	boron monocarbide anion	bc-
244	BC+	boron monocarbide cation	bc+
245	AlC	Aluminum carbide	alc
246	BSi	Boron silicide	bsi
247	C2+	carbon diatomic cation	c2+
248	SiC	silicon monocarbide	sic
249	SiC-	silicon monocarbide anion	sic-
250	SiC+	silicon monocarbide cation	sic+
251	Si2	Silicon diatomic	si2
252	Si2-	silcon diatomic anion	si2-
253	Si2+	silcon diatomic cation	si2+
254	GeC	Germanium monocarbide	gec
255	SiGe	Silicon Germanium	sige
256	Ge2	Germanium diatomic	ge2
257	C2H-	Ethynyl anion	c2h-
258	C2H+	Ethynyl cation	c2h+
259	ZnCH2	Zinc methylene	znch2
260	H2CC-	vinylidene anion	h2cc-
261	HCCH-	acetylene anion	c2h2-
262	Si2H2	disilyne	si2h2
263	CH3Li	methyl lithium	ch3li
264	CuCH3	monomethyl copper	cuch3
265	ZnCH3	Zinc monomethyl	znch3
266	CH2BH	methyleneborane	ch2bh
267	C2H3-	vinyl anion	c2h3-
268	C2H3+	vinyl cation	c2h3+
269	C2H4-	Ethylene anion	c2h4-
270	C2H4+	Ethylene cation	c2h4+
271	CH3CH	methylmethylene	ch3ch
272	CH2SiH2	silaethylene	ch2sih2
273	Si2H4	Disilene	si2h4
274	CH3BH2	methylborane	ch3bh2
275	C2H5-	Ethyl anion	c2h5-
276	C2H5+	Ethyl cation	c2h5+
277	C2H6+	ethane cation	c2h6+
278	GeH3CH3	methyl germane	geh3ch3
279	C2H7+	Ethane, protonated	c2h7+
280	LiN	Lithium Nitride	lin
281	LiN+	Lithium Nitride cation	lin+
282	LiP	Lithium monophosphide	lip
283	BeN	Beryllium mononitride	ben
284	BeN-	Beryllium mononitride anion	ben-
285	BeN+	Beryllium mononitride cation	ben+
286	MgN	Magnesium Nitride	mgn
287	AlN-	aluminum mononitride anion	aln-
288	AlN+	aluminum mononitride cation	aln+
289	BP	Boron monophosphide	bp
290	AlP	Aluminum monophosphide	alp
291	GaN	Gallium mononitride	gan
292	GaP	Gallium monophosphide	gap
293	GaAs	Gallium arsenide	gaas
294	BN+	boron nitride cation	bn+
295	CP-	carbon monophosphide anion	cp-
296	CP+	carbon monophosphide cation	cp+
297	SiN-	silicon mononitride anion	sin-
298	SiN+	silicon mononitride cation	sin+
299	SiP	Silicon monophosphide	sip
300	SiP-	Silicon monophosphide anion	sip-
301	SiP+	Silicon monophosphide cation	sip+
302	TiN	Titanium mononitride	tin
303	PN-	phosphorus nitride anion	pn-
304	PN+	phosphorus nitride cation	pn+
305	P2-	phosphorus diatomic anion	p2-
306	P2+	phosphorus diatomic cation	p2+
307	AsN	Arsenic mononitride	asn
308	AsP	Arsenic monophosphide	asp
309	SbN	Antimony nitride	sbn
310	As2	Arsenic diatomic	as2
311	HNB	hydrogen nitrogen boron	hnb
312	HCN-	Hydrogen cyanide anion	hcn-
313	HCN+	hydrogen cyanide cation	hcn+
314	HNC+	hydrogen isocyanide cation	hnc+
315	HCP+	Phosphaethyne cation	hcp+
316	NNH+	Dinitrogen monohydride cation	nnh+
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	CH2PH	Phosphaethene	ch3p
333	BH2NH2	Boranamine	bh2nh2
334	N2H4+	hydrazine cation	n2h4+
335	CH3NH2+	methyl amine cation	ch3nh2+
336	SiH3NH2	Silane, amino	sih3nh2
337	N2H5+	protonated hydrazine	n2h5+
338	BH3PH3	borane phosphine	bh3ph3
339	BH3NH3	borane ammonia	bh3nh3
340	CH3NH3	methyl ammonium radical	ch3nh3
341	CH3NH3+	protonated methylamine	ch3nh3+
342	CH3PH3+	methyl phosphine, protonated	ch3ph3+
343	NH3NH3	Ammonia Dimer	nh3nh3
344	N2H7+	ammonia ammonium dimer	n2h7+
345	LiO-	lithium oxide anion	lio-
346	LiO+	lithium oxide cation	lio+
347	LiS	Lithium monosulfide	lis
348	LiS+	Lithium sulfide cation	lis+
349	NaO-	sodium oxide anion	nao-
350	NaO+	sodium oxide cation	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 monoxide anion	beo-
357	BeO+	Beryllium monoxide cation	beo+
358	MgO-	magnesium oxide anion	mgo-
359	MgO+	magnesium oxide cation	mgo+
360	CaO	Calcium monoxide	cao
361	MgS-	magnesium sulfide anion	mgs-
362	MgS+	magnesium sulfide cation	mgs+
363	CaS	Calcium sulfide	cas
364	ZnO	zinc monoxide	zno
365	ZnS	Zinc sulfide	zns
366	BeS-	Beryllium monosulfide anion	bes-
367	BeS+	Beryllium monosulfide cation	bes+
368	BO-	boron monoxide anion	bo-
369	AlO-	Aluminum monoxide anion	alo-
370	AlO+	aluminum monoxide cation	alo+
371	BS-	boron monosulfide anion	bs-
372	BS+	boron monosulfide cation	bs+
373	AlS-	aluminum monosulfide anion	als-
374	AlS+	aluminum monosulfide cation	als+
375	ScO	Scandium monoxide	sco
376	GaO	Gallium monoxide	gao
377	GaS	Gallium monosulfide	gas
378	CO+	carbon monoxide cation	co+
379	CS-	carbon monosulfide anion	cs-
380	CS+	carbon monosulfide cation	cs+
381	SiO-	silicon monoxide anion	sio-
382	SiO+	silicon monoxide cation	sio+
383	SiS-	silicon monosulfide anion	sis-
384	SiS+	silicon monosulfide cation	sis+
385	TiO	Titanium monoxide	tio
386	CSe-	Carbon monoselenide anion	cse-
387	CSe+	Carbon monoselenide cation	cse+
388	GeO	Germanium monoxide	geo
389	GeO+	Germanium monoxide cation	geo+
390	GeS	Germanium monosulfide	ges
391	SiSe	Silicon Monoselenide	sise
392	SiSe+	Silicon Monoselenide cation	sise+
393	GeSe	Germanium monoselenide	gese
394	NS-	nitrogen sulfide anion	ns-
395	NS+	nitrogen sulfide cation	ns+
396	PO-	phosphorus monoxide anion	po-
397	PO+	phosphorus monoxide cation	po+
398	PS-	phosphorus monosulfide anion	ps-
399	PS+	phosphorus monosulfide cation	ps+
400	VO	Vanadium monoxide	vo
401	AsO	Arsenic monoxide	aso
402	NSe	Nitrogen monoselenide	nse
403	AsS	Arsenic monosulfide	ass
404	PSe	Phosphorus monoselenide	pse
405	AsSe	Arsenic monoselenide	asse
406	O2--	dioxygen dianion	o2--
407	SO-	sulfur monoxide anion	so-
408	SO+	sulfur monoxide cation	so+
409	S2-	sulfur diatomic anion	s2-
410	S2+	sulfur diatomic cation	s2+
411	SeO-	selenium monoxide anion	seo-
412	SeO+	selenium monoxide cation	seo+
413	SeS-	selenium monosulfide anion	ses-
414	SeS+	selenium monosulfide cation	ses+
415	TeO	Tellurium monoxide	teo
416	Se2-	selenium diatomic anion	se2-
417	Se2+	selenium diatomic cation	se2+
418	Te2	Tellurium diatomic	te2
419	KOH	Potassium hydroxide	koh
420	CaOH	Calcium monohydroxide	caoh
421	COH	Hydroxymethylidyne	coh
422	COH+	Carbon Monoxide, protonated	coh+
423	HCO-	formyl anion	hco-
424	HCO+	Formyl cation	hco+
425	HCS-	Thioformyl anion	hcs-
426	HCS+	Thioformyl cation	hcs+
427	HNO-	Nitrosyl hydride anion	hno-
428	HNO+	Nitrosyl hydride cation	hno+
429	NOH	Hydroxyimidogen	noh
430	NOH+	O-protonated nitric oxide	noh+
431	HNS	Sulfur imide	hns
432	HNS-	Sulfur imide anion	hns-
433	HO2-	Hydroperoxy anion	ho2-
434	HO2+	Hydroperoxy cation	ho2+
435	HSO+	Sulfur Monoxide, S-protonated	HSO+
436	SOH	Sulfur Hydroxide	soh
437	SOH+	Sulfur Monoxide, protonated	soh+
438	HS2	Thiosulfeno radical	hs2
439	H2CO-	formaldehyde anion	h2co-
440	H2CO+	formaldehyde cation	h2co+
441	HOCH	hydroxycarbene	hoch
442	H2CS-	thioformaldehyde anion	h2cs-
443	H2CS+	thioformaldehyde cation	h2cs+
444	H2CSe	Selenoformaldehyde	h2cse
445	H2NO	nitroxide	h2no
446	H2O2+	Hydrogen peroxide cation	h2o2+
447	H2OO	water oxide	h2oo
448	HOSH	hydrogen thioperoxide	hosh
449	H2S2+	hydrogen disulfide cation	h2s2+
450	H2Se2	hydrogen diselenide	h2se2
451	CH3O-	methoxy anion	ch3o-
452	CH3O+	Methoxy cation	ch3o+
453	H2CSH+	Thioformaldehyde, protonated	h2csh+
454	NH2OH+	Hydroxylamine cation	nh2oh+
455	NH3O	Ammonia Oxide	nh3o
456	H2POH	Phosphinous acid	h2poh
457	H3PO	Phosphine oxide	h3po
458	NH2SH	Thiohydroxylamine	nh2sh
459	NH3S	sulfidoazane	nh3s
460	H3O2+	hydrogen peroxide, protonated	h3o2+
461	CH3OH-	Methyl alcohol anion	ch3oh-
462	CH3OH+	Methyl alcohol cation	ch3oh+
463	CH3SH+	Methanethiol cation	ch3sh+
464	SiH3OH	silanol	sih3oh
465	NH2OH2+	protonated hydroxylamine	nh2oh2+
466	NH3OH+	N-protonated hydroxylamine	nh3oh+
467	H2OH2O	water dimer	h2oh2o
468	CH3OH2+	Methanol, protonated	ch3oh2+
469	CH3SH2+	protonated methylsulfide	ch3sh2+
470	H2ONH3	Water Ammonia Dimer	h2onh3
471	H5O2+	Dihydroxonium ion	h5o2+
472	LiCl-	lithium chloride anion	licl-
473	LiCl+	lithium chloride cation	licl+
474	NaF-	sodium fluoride anion	naf-
475	NaF+	sodium fluoride cation	naf+
476	KF	Potassium Fluoride	kf
477	NaCl-	sodium chloride anion	nacl-
478	NaCl+	sodium chloride cation	nacl+
479	KCl	Potassium Chloride	kcl
480	CuF	Copper monofluoride	cuf
481	LiBr-	lithium bromide anion	libr-
482	LiBr+	lithium bromide cation	libr+
483	CuCl	Copper monochloride	cucl
484	NaBr-	sodium bromide anion	nabr-
485	NaBr+	sodium bromide cation	nabr+
486	KBr	Potassium Bromide	kbr
487	LiI	Lithium Iodide	lii
488	NaI	Sodium Iodide	nai
489	KI	Potassium Iodide	ki
490	LiF-	lithium fluoride anion	lif-
491	LiF+	lithium fluoride cation	lif+
492	BeF-	Beryllium monofluoride anion	bef-
493	BeF+	Beryllium monofluoride cation	bef+
494	MgF-	magnesium fluoride anion	mgf-
495	MgF+	magnesium fluoride cation	mgf+
496	CaF	Calcium monofluoride	caf
497	MgCl-	magnesium monochloride anion	mgcl-
498	MgCl+	magnesium monochloride cation	mgcl+
499	CaCl	calcium monochloride	cacl
500	TiCl	Titanium Monochloride	ticl
501	ZnF	Zinc monofluoride	znf
502	ZnF-	Zinc monofluoride anion	znf-
503	ZnF+	Zinc monofluoride cation	znf+
504	ZnCl	Zinc monochloride	zncl
505	CaBr	Calcium monobromide	cabr
506	BeCl-	beryllium monochloride anion	becl-
507	BeCl+	beryllium monochloride cation	becl+
508	BF-	Boron monofluoride anion	bf-
509	BF+	Boron monofluoride cation	bf+
510	AlF-	Aluminum monofluoride anion	alf-
511	AlF+	Aluminum monofluoride cation	alf+
512	BCl-	boron monochloride anion	bcl-
513	BCl+	boron monochloride cation	bcl+
514	AlCl	Aluminum monochloride	alcl
515	AlCl-	aluminum monochloride anion	alcl-
516	AlCl+	aluminum monochloride cation	alcl+
517	ScF	Scandium monofluoride	scf
518	BBr	Boron monobromide	bbr
519	GaF	Gallium monofluoride	gaf
520	GaF+	Gallium monofluoride cation	gaf+
521	AlBr	Aluminum monobromide	albr
522	GaCl	Gallium monochloride	gacl
523	GaCl+	Gallium monochloride cation	gacl+
524	AlI	Aluminum monoiodide	ali
525	GaBr	Gallium monobromide	gabr
526	CF-	carbon monofluoride anion	cf-
527	CCl-	carbon monochloride anion	ccl-
528	CCl+	carbon monochloride cation	ccl+
529	SiF-	silicon monofluoride anion	sif-
530	SiF+	silicon monofluoride cation	sif+
531	SiCl-	silicon monochloride anion	sicl-
532	SiCl+	silicon monochloride cation	sicl+
533	CBr	Carbon monobromide	cbr
534	GeF	Germanium monofluoride	gef
535	GeF+	Germanium monofluoride cation	gef+
536	GeCl	Germanium monochloride	gecl
537	GeCl+	Germanium monochloride cation	gecl+
538	SiBr	Silicon monobromide	sibr
539	SiBr+	Silicon monobromide cation	sibr+
540	NF-	nitrogen monofluorine anion	nf-
541	NF+	nitrogen monofluoirde cation	nf+
542	NCl	nitrogen monochloride	ncl
543	NCl-	nitrogen monochloride anion	ncl-
544	NCl+	nitrogen monochloride cation	ncl+
545	PF-	phosphorus monofluoride anion	pf-
546	PF+	phosphorus monofluoride cation	pf+
547	PCl-	phosphorus monochloride anion	pcl-
548	PCl+	phosphorus monochloride cation	pcl+
549	AsF	Arsenic monofluoride	asf
550	NBr	nitrogen monobromide	nbr
551	AsCl	Arsenic monochloride	ascl
552	PBr	Phosphorus monobromide	pbr
553	SbF	Antimony monofluoride	sbf
554	SbCl	Antimony monochloride	sbcl
555	ClO-	chlorine monoxide anion	clo-
556	ClO+	chlorine monoxide cation	clo+
557	SF-	sulfur monofluoride anion	sf-
558	SF+	sulfur monofluoride cation	sf+
559	SCl-	sulfur monochloride anion	scl-
560	SCl+	sulfur monochloride cation	scl+
561	BrO	Bromine monoxide	bro
562	BrO-	Bromine monoxide anion	bro-
563	BrO+	Bromine monoxide cation	bro+
564	SeF	Selenium monofluoride	sef
565	SBr	Sulfur monobromide radical	sbr
566	SBr+	Sulfur monobromide cation	sbr+
567	SeCl	Selenium monochloride	secl
568	IO	Iodine monoxide	io
569	SeBr	Selenium monobromide	sebr
570	ClF-	clorine monofluoride anion	clf-
571	ClF+	clorine monofluoride cation	clf+
572	Cl2-	chlorine diatomic anion	cl2-
573	Cl2+	chlorine diatomic cation	cl2+
574	BrF-	bromine fluoride anion	brf-
575	BrF+	bromine fluoride cation	brf+
576	BrCl-	bromine chloride anion	brcl-
577	BrCl+	bromine chloride cation	brcl+
578	IF	Iodine monofluoride	if
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	HOCl+	hypochlorous acid cation	hocl+
591	HOBr+	Hypobromous acid cation	hobr+
592	HOI	Hypoiodous acid	hoi
593	F2H+	Fluorine, protonated	f2h+
594	FHF	Hydrogen difluoride	fhf
595	FHF-	Hydrogen difluoride anion	fhf-
596	ClFH+	Chlorine fluoride, F-protonated	clfh+
597	FClH+	Chlorine fluoride, Cl-protonated	fclh+
598	Cl2H+	Chlorine, protonated	cl2h+
599	CH2Br	bromomethyl radical	ch2br
600	CH2F	fluoromethyl radical	ch2f
601	CH2F+	fluoromethyl cation	ch2f+
602	CH2Cl+	chloromethyl cation	ch2cl+
603	CH2Cl	chloromethyl radical	ch2cl
604	NH2F	monofluoroamine	nh2f
605	NH2Cl	chloramine	nh2cl
606	CH3F+	methyl fluoride cation	ch3f+
607	CD3F	methylfluoride-d3	cd3f
608	CD3Cl	methyl chloride d3	cd3cl
609	CH3Cl+	Methyl chloride cation	ch3cl+
610	GeH3F	monofluorogermane	geh3f
611	GeH3Cl	monochlorogermane	geh3cl
612	SiH3Br	bromosilane	sih3br
613	CH3I	methyl iodide	ch3i
614	SiH3I	Silyl Iodide	sih3i
615	NH3Cl+	protonated monochloroammonia	nh3cl+
616	CH3ClH+	methyl chloride, protonated	ch3clh+
617	NH4Cl	Ammonium chloride	nh4cl
618	LiNe+	Lithium Neon cation	line+
619	Ne2	Neon diatomic	ne2
620	Ne2+	Neon diatomic cation	ne2+
621	Ar2	Argon diatomic	ar2
622	Ar2+	Argon diatomic cation	ar2+
623	Li3	Lithium trimer	li3
624	Li3+	Lithium trimer cation	li3+
625	C3+	carbon trimer cation	c3+
626	SiC2	Silicon dicarbide	sic2
627	C3H3	cyclopropenyl radical	cpr
628	C3H3-	Propargyl anion	c3h3-
629	C3H3+	cyclopropenyl cation	cpr+
630	C3H3+	Propargyl cation	c3h3+
631	C3H4	cyclopropene	cprop
632	C3H5	Allyl radical	allyl
633	C3H5+	Allyl cation	allyl+
634	CH3CHCH	1-propenyl radical	ch3chch
635	Zn(CH3)2	dimethyl zinc	dmz
636	C3H7+	cyclopropane, protonated	c3h7+
637	CH3CHCH3	Isopropyl radical	isopropyl
638	CH3CHCH3+	Isopropyl cation	prop2yl+
639	SiH2(CH3)2	dimethylsilane	dms
640	Si3H8	trisilane	si3h8
641	LiCN	lithium cyanide	licn
642	NaCN	Sodium Cyanide	nacn
643	KCN	Potassium cyanide	kcn
644	CuCN	Copper cyanide	cucn
645	ZnCN	Zinc monocyanide	zncn
646	ZnNC	Zinc isocyanide	znnc
647	AlCN	Aluminum monocyanide	alcn
648	AlNC	Aluminum isocyanide	alnc
649	CN2	3H-Diazirin-3-ylidene	cn2
650	CNN	Diazocarbene	cnn
651	NCN	Cyanoimidogen	ncn
652	N3	azide radical	n3
653	N3-	azide anion	n3-
654	N3+	azide cation	n3+
655	HCCN	cyanomethylene	hccn
656	HCNN	diazomethyl radical	hcnn
657	HN3+	Hydrazoic acid cation	hn3+
658	HNCNH	diiminomethane	hncnh
659	CH2N2	diazirine	ch2n2
660	CH2NN	diazomethane	ch2nn
661	NH2CN	cyanamide	cyanamide
662	HNNNH+	1,2-Triazadienium	n2h3+
663	NH2NN+	hydrazoic acid, protonated	nh2nn+
664	CH3CN-	acetonitrile anion	ch3cn-
665	CH3CN+	Acetonitrile cation	ch3cn+
666	CHNCH2	2H-Azirine	c157164
667	CHNHCH	1H-Azirine	chnhch
668	H2CCNH	Ethenimine	ch2cnh
669	H2CNCH	methyleneaminomethylene	ch2nch
670	HCCNH2	Ethynamine	hccnh2
671	HCNCH2+	2H-Azirine cation	hcnch2+
672	HNCNH2+	diiminomethane, protonated	hncnh2+
673	NCNH3+	Cyanamide, protonated	ncnh3+
674	NH2CNH+	cyanamide, cn protonated	nh2cnh+
675	NH3CN+	cyanamide, amine protonated	nh3cn+
676	CH2CHNH	vinylazine	ch2chnh
677	CH3CHN	methylmethaniminyl radical	ch3chn
678	CH2CHNH2	aminoethene	aminoethene
679	CH2NCH3	N-methylmethanimine	nmm
680	CH3CHNH	ethanimine	ethanimine
681	NH2BHNH2	diaminoborane	nh2bhnh2
682	C2H5NH+	Protonated Aziridine	c2h5nh+
683	C2H6N+	aziridine, protonated	c2h6n+
684	NH2CH2NH2	diaminomethane	nh2ch2nh2
685	CH3PHCH3	dimethylphosphine	ch3phch3
686	NH2CH2NH3+	diaminoethane, protonated	pdam
687	(CH3)2NH2+	dimethylammonium cation	dmam
688	CH3CH2NH3+	ethylamine, protonated	pea
689	Li2O+	dilithium oxide cation	li2o+
690	Li2S	dilithium sulfide	li2s
691	Na2O	disodium monoxide	na2o
692	Na2S	Sodium sulfide	na2s
693	LiO2	Lithium dioxide	lio2
694	NaO2	Sodium superoxide	nao2
695	CCO	Dicarbon monoxide	cco
696	CNO-	fulminate	cno-
697	NCO	isocyanato radical	nco
698	NCO-	cyanate	nco-
699	SCN	thiocyanato radical	scn
700	BO2-	Boron dioxide anion	bo2-
701	BO2+	Boron dioxide cation	bo2+
702	N2O-	Nitrous oxide anion	n2o-
703	N2O+	Nitrous oxide cation	n2o+
704	NNS	Nitrogen sulfide	nns
705	PPO	Phosphorus oxide phosphide	ppo
706	CO2-	Carbon dioxide anion	co2-
707	CO2+	Carbon dioxide cation	co2+
708	OCS+	Carbonyl sulfide cation	cos+
709	CS2-	Carbon disulfide anion	cs2-
710	CS2+	Carbon disulfide cation	cs2+
711	TiO2	Titanium dioxide	tio2
712	SiS2	Silicon disulfide	sis2
713	GeO2	Germanium dioxide	geo2
714	SCSe	Carbon sulfide selenide	scse
715	GeS2	Germanium disulfide	ges2
716	CSe2	Carbon diselenide	cse2
717	SCTe	Carbon sulfide Telluride	scte
718	NO2-	Nitrogen dioxide anion	no2-
719	NO2+	Nitrogen dioxide cation	no2+
720	NSO	sulfinyl amidogen	NSO
721	PO2-	Phosphorus dioxide anion	po2-
722	PO2+	Phosphorus dioxide cation	po2+
723	SNO	Nitrogen oxide sulfide	sno
724	AsO2	Aresenic dioxide	aso2
725	O3-	Ozone anion	o3-
726	O3+	Ozone cation	o3+
727	SO2-	Sulfur dioxide anion	so2-
728	SO2+	Sulfur dioxide cation	so2+
729	S3	Sulfur trimer	s3
730	S3-	Sulfur trimer anion	s3-
731	S3+	Sulfur trimer cation	s3+
732	SeO2+	Selenium dioxide cation	seo2+
733	TeO2	Tellurium Dioxide	teo2
734	CS2H+	Carbon disulfide, protonated	cs2h+
735	HNCS	Isothiocyanic acid	hncs
736	HSCN	thiocyanic acid	hscn
737	HNNO	nitrosoazane	hnno
738	HNNO+	Nitrous oxide, N-protonated	hnno+
739	NNOH+	Nitrous Oxide, O-protonated	nnoh+
740	HCOO	formate neutral radical	hcoo
741	HOCO	Hydrocarboxyl radical	hoco
742	HOCO+	Hydrocarboxyl cation	hoco+
743	HNO2+	nitrous acid cation	hno2+
744	O3H+	protonated ozone	o3h+
745	SO2H+	protonated sulfur dioxide	so2h+
746	C2H2O	Oxirene	oxirene
747	CH2CO+	Ketene cation	ch2co+
748	HCCOH	ethynol	hccoh
749	CH2CS	Thioketene	ch2cs
750	Be(OH)2	Beryllium hydroxide	beo2h2
751	Mg(OH)2	Magnesium dihydroxide	h2mgo2
752	NH2NO	Nitrosamide	nh2no
753	H2COO	Dioxymethyl radical	h2coo
754	H2COO+	dioxymethyl cation	h2coo+
755	H2O3	Hydrogen trioxide	h2o3
756	HSSSH	trisulfane	hsssh
757	NaOCH3	Sodium methoxide	naoch3
758	CH2BOH	hydroxy(methylene)borane	ch2boh
759	BH3CO	Borane carbonyl	bh3co
760	CH3BO	Borane, methyloxo-	ch3bo
761	CH2CHO	Vinyloxy radical	ch2cho
762	CH2COH+	ketene, protonated	ch2coh+
763	CH3CO-	Acetyl anion	ch3co-
764	CH3CO+	acetyl cation	ch3co+
765	CH2NOH	formaldoxime	ch2noh
766	CH3NO	nitrosomethane	ch3no
767	CNOH3	1,2-oxaziridine	cnoh3
768	HOCHNH	hydroxymethylimine	hochnh
769	CHSNH2	thioformamide	chsnh2
770	NHCHSH	Methanimidothioic acid	nhchsh
771	CH2OOH	CH2OOH radical	ch2ooh
772	CH3OO-	methylperoxy anion	ch3oo-
773	CH3OO+	methylperoxy cation	ch3oo+
774	C2H4O+	ethylene oxide cation	c2h4o+
775	CH3CHO+	acetaldehyde cation	ch3cho+
776	H2COCH2+	Methyl, (methyleneoxoniumyl)-	h2coch2+
777	CH2CHSH	Ethenethiol	ch2chsh
778	H2CONH2+	protonated formamide	h2conh2+
779	NH2CHOH+	Formamide, O-protonated	nh2choh+
780	NH3CHO+	Formamide, N-Protonated	nh3cho+
781	CH2(OH)2	methanediol	ch2o2h2
782	CH3OOH	Methyl peroxide	ch3ooh
783	CH3SSH	Hydrogen methyl disulfide	ch3ssh
784	HSCH2SH	Methanedithiol	ch4s2
785	H2OH2CO	water formaldehyde dimer	h2oh2co
786	C2H4OH+	ethylene oxide, protonated	c2h4oh+
787	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
788	CH3CH2O	Ethoxy radical	ethoxy
789	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
790	CH3CHOH+	acetaldehyde, protonated	ch3choh+
791	CH3OCH2	methoxymethyl radical	ch3och2
792	NH2CH2OH	aminomethanol	nh2ch2oh
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	FCN	Cyanogen fluoride	fcn
801	ICN	Cyanogen iodide	icn
802	FBO	Boron monofluoride monoxide	fbo
803	BeF2	Beryllium fluoride	bef2
804	MgF2	Magnesium fluoride	mgf2
805	BeCl2	Beryllium chloride	becl2
806	CaCl2	Calcium Chloride	cacl2
807	ZnCl2	Zinc dichloride	zncl2
808	BeBr2	Beryllium bromide	bebr2
809	CaBr2	Calcium dibromide	cabr2
810	CaF2	Calcium difluoride	caf2
811	FCO	Carbonyl fluoride	fco
812	FCO+	Carbonyl fluoride cation	fco+
813	ClCO	carbonyl monochloride	clco
814	BF2	Boron difluoride radical	bf2
815	FNS	Thionitrosyl fluoride	fns
816	FSN	Thiazyl fluoride	fsn
817	OPCl	Phosphorus oxychloride	opcl
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 anion	ccl2-
826	CCl2+	dichloromethylene cation	ccl2+
827	GeF2	Germanium difluoride	gef2
828	GeCl2	Germanium dichloride	gecl2
829	CBr2	dibromomethylene	cbr2
830	FOO+	Fluorine dioxide cation	foo+
831	ClOO+	chloroperoxy cation	cloo+
832	OClO-	Chlorine dioxide anion	oclo-
833	OClO+	Chlorine dioxide cation	oclo+
834	ClSO	Sulfur chloride oxide	clso
835	BrOO	Bromine dioxide	broo
836	OBrO	Bromine dioxide radical	obro
837	NF2+	Difluoroamino cation	nf2+
838	PF2	Phosphorus difluoride	pf2
839	PF2+	Phosphorus difluoride cation	pf2+
840	FClO	chlorosyl fluoride	fclo
841	ClOF	Chlorine hypofluorite	clof
842	SF2-	sulfur difluoride anion	sf2-
843	SF2+	sulfur difluoride cation	sf2+
844	SeF2	Selenium difluoride	sef2
845	BrOCl	Bromine hypochlorite	brocl
846	SeCl2	Selenium Dichloride	secl2
847	SBr2	Sulfur dibromide	sbr2
848	SeBr2	Selenium dibromide	sebr2
849	BrOBr	Bromine oxide	brobr
850	F3-	trifluoride anion	f3-
851	Cl3-	trichloride anion	cl3-
852	Br3-	tribromide anion	br3-
853	I3-	triiodide	i3-
854	SFCl	Sulfur chloride fluoride	sfcl
855	HCCF+	fluoroacetylene cation	hccf+
856	HCCCl	Chloroacetylene	hcccl
857	HCCBr	bromoacetylene	hccbr
858	HFCO+	formyl fluoride cation	hfco+
859	COHCl	Formyl chloride	cohcl
860	COHBr	Formyl bromide	cohbr
861	CHCl2	dichloromethyl radical	chcl2
862	CHF2	difluoromethyl radical	chf2
863	CHF2+	difluoromethyl cation	chf2+
864	CHFCl	Chlorofluoromethyl radical	chfcl
865	CHFCl+	Chlorofluoromethyl cation	chfcl+
866	CHCl2+	dichloromethyl cation	chcl2+
867	CHBr2	dibromomethyl radical	chbr2
868	HOClO	Chlorous acid	hoclo
869	NHF2	difluoramine	nhf2
870	NHCl2	dichloroamine	nhcl2
871	SiH2F2	difluorosilane	sih2f2
872	CH2BrF	Methane, bromofluoro-	ch2fbr
873	CH2BrCl	Methane, bromochloro-	ch2clbr
874	CH2FI	fluoroiodomethane	ch2fi
875	CH2ClI	chloroiodomethane	ch2cli
876	CH2BrI	bromoiodomethane	ch2bri
877	CH2I2	Diiodomethane	ch2i2
878	CH3MgBr	Methyl Magnesium Bromide	ch3mgbr
879	CH2CHF+	fluoroethene cation	ch2chf+
880	C2H3Br	vinyl bromide	c2h3br
881	C2H3I	Vinyl iodide	c2h3i
882	CH2FOH	fluoromethanol	ch2foh
883	CH3OCl	methyl hypochlorite	ch3ocl
884	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
885	CHClCH3	1-chloroethyl radical	chclch3
886	CH3SiFH2	fluoromethylsilane	ch3sifh2
887	C2H5Br	Ethyl bromide	etbr
888	C2H5I	Ethyl iodide	c2h5i
889	KrF2	Krypton difluoride	krf2
890	XeF2	Xenon difluoride	xef2
891	B4H10	Tetraborane(10)	b4h10
892	C4+	Carbon tetramer cation	c4+
893	C4H2+	diacetlyene cation	c4h2+
894	C4H4	cyclobutadiene	cbd
895	C4H4	Tetrahedrane	c4h4
896	CH2CCHCH3	1,2-Butadiene	butad12
897	CH2CHCHCH2	1,3-Butadiene	c106990
898	CHCCH2CH3	1-Butyne	c107006
899	CH3CHCHCH2	methylallyl radical	c4h7
900	C4H8	methylcyclopropane	mcp
901	CH2CHCH2CH3	1-Butene	bute1
902	CH3CHCHCH3	2-Butene, (Z)-	bute2z
903	B(CH3)3	trimethylborane	bme3
904	Al(CH3)3	trimethyl aluminum	tma
905	CH2CH(CH3)2	Isobutyl radical	isobutyl
906	CH3CHCH2CH3	2-Butyl radical	butyl2
907	CH3CH(CH3)CH3	Isobutane	isobutane
908	SiH(CH3)3	trimethylsilane	trimsi
909	Li3N	trilithium nitride	li3n
910	C2N2+	Cyanogen cation	c2n2+
911	As4	Arsenic tetramer	as4
912	HCCCN+	Cyanoacetylene cation	hcccn+
913	H2CNCN	cyanamide, methylene	ch2ncn
914	HNCCNH	Ethenediimine	hnccnh
915	C3H3N+	acrylonitrile cation	ch2chcn+
916	CH3N3	methyl azide	ch3n3
917	NH2CCNH2	Diaminoacetylene	daa
918	NH2CH2CN	Aminoacetonitrile	aan
919	CH3NHN2+	methyl azide, protonated	ch3nhn2+
920	C2H5CN	ethyl cyanide	c2h5cn
921	CH5N3	Guanidine	guanidine
922	C4H6	Bicyclo[1.1.0]butane	c157335
923	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
924	H2NCHCHNH2	diaminoethylene	dae
925	CH6N3+	guanidinium	ch6n3+
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	S2N2	Disulfur dinitride	s2n2
941	CO3	Carbon trioxide	co3
942	CS3--	Carbonotrithioate	cs3--
943	NO3	Nitrogen trioxide	no3
944	NO3-	nitrate anion	no3-
945	NO3+	nitrogen trioxide cation	no3+
946	SO3-	Sulfur trioxide anion	so3-
947	SO3--	Sulfate dianion	so3--
948	SO3+	Sulfur trioxide cation	so3+
949	SeO3	selenium trioxide	seo3
950	S4	Sulfur tetramer	s4
951	TeO3	Tellurium trioxide	teo3
952	HCO3-	bicarbonate anion	hco3-
953	HSO3	Hydroxysulfonyl radical	hso3
954	NH2NO2	nitramide	nh2no2
955	C2H2CO	cyclopropenone	c2h2co
956	C3H2O	Propadienal	c3h2o
957	HCCCHO	2-propynal	hcccho
958	C2H2O2+	Ethanedial cation	c2h2o2+
959	H2CO3	Carbonic acid	h2co3
960	H2CS3	thiocarbonic acid	h2cs3
961	H2NO3+	Nitric Acid, Protonated	h2no3+
962	H2SO3	Sulfurous acid	h2so3
963	C2H3NO	Nitrosoethylene	c2h3no
964	CH3NCO	methylisocyante	ch3nco
965	HOCH2CN	cyanomethanol	hoch2cn
966	NH2COOH	Carbamic acid	nh2cooh
967	H3BO3	Boric acid	h3bo3
968	H3AlO3	Aluminum hydroxide	h3alo3
969	H3CO3+	carbonic acid, protonated	h3co3+
970	C3H4O	2-Propyn-1-ol	c107197
971	C3H4O	Methylketene	c6004440
972	CH2CHCHO	Acrolein	c3h4o
973	NH2CONH2+	Urea cation	urea+
974	NH2CSNH2	Thiourea	thiourea
975	C2H4O2	1,3-dioxetane	c2h4o2
976	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
977	NH3COOH+	protonated Carbamic acid	nh3cooh+
978	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
979	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
980	HCOOHH2O	Formic acid water dimer	hcoohh2o
981	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
982	CH3COCH2	Acetonyl radical	ch3coch2
983	CH2C(OH)NH2	1-amino vinyl alchohol	ava
984	CH3C(OH)=NH	Ethaninidic acid	eia
985	HCONHCH3	N-methylformamide	nmfa
986	CH3CSNH2	Ethanethioamide	ch3csnh2
987	CH5N2O+	urea, N-protonated	ch4n2o+
988	H2NCOHNH2+	urea, protonated	ureah+
989	C2H5OO	ethylperoxy radical	c2h5oo
990	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
991	C3H5OH	Cyclopropanol	cproh
992	C3H6O	2-Propen-1-ol	c107186
993	C3H6O	Acetone enol	enol
994	C3H6O	Oxetane	oxetane
995	CH3CH2CHO	Propanal	propanal
996	CH3COCH3-	acetone anion	ch3coch3-
997	CH3CSCH3	Thioacetone	ch3csch3
998	CH3OOCH3	dimethylperoxide	dmp
999	CH3COHCH3+	acetone, protonated	acetoneh+
1000	HOCH2CH2NH2	monoethanolamine	mea
1001	CH3CHOHCH3	Isopropyl alcohol	isoproh
1002	H2OCH3OCH3	water dimethylether dimer	h2och3och3
1003	Li2F2	Lithium fluoride dimer	li2f2
1004	Na2F2	Sodium Fluoride Dimer	na2f2
1005	C2Cl2+	dichloroacetylene cation	c2cl2+
1006	FNO2	Nitryl fluoride	fno2
1007	FONO	Nitrosyl hypofluorite	fono
1008	ClONO	chlorine nitrite	clono
1009	BrONO	Bromine nitrite	brono
1010	CF2O+	Carbonic difluoride cation	f2co+
1011	COFCl	Carbonic chloride fluoride	cofcl
1012	Cl2CS	Thiophosgene	cl2cs
1013	COBr2	Carbonic dibromide	cobr2
1014	BF3-	Borane, trifluoro- anion	bf3-
1015	BF3+	boron trifluoride cation	bf3+
1016	BClF2	Chlorodifluoroborane	bclf2
1017	ScF3	Scandium trifluoride	ScF3
1018	BCl3+	Boron Trichloride cation	bcl3+
1019	GaF3	Gallium trifluoride	gaf3
1020	GaCl3	Gallium trichloride	gacl3
1021	BBr3	Boron tribromide	bbr3
1022	AlBr3	Aluminum Bromide	albr3
1023	ClO3	Chlorine trioxide	clo3
1024	BrO3-	Bromate anion	bro3-
1025	CF3-	Trifluoromethyl anion	cf3-
1026	CF3+	Trifluoromethyl cation	cf3+
1027	CF2Cl	difluorochloromethyl radical	cf2cl
1028	SiF3	Silicon trifluoride radical	sif3
1029	SiF3+	Silicon trifluoride cation	sif3+
1030	CFCl2	dichlorofluoromethyl radical	cfcl2
1031	CCl3	Trichloromethyl radical	ccl3
1032	CCl3-	Trichloromethyl anion	ccl3-
1033	CCl3+	Trichloromethyl cation	ccl3+
1034	SiCl3	trichlorosilyl radical	sicl3
1035	SiCl3+	trichlorosilyl cation	sicl3+
1036	CBr3	tribromomethyl radical	cbr3
1037	FOOF	Perfluoroperoxide	foof
1038	ClO2F	Chloryl fluoride	clo2f
1039	F2SO	Thionyl Fluoride	f2so
1040	ClOOCl	Dichlorine dioxide	cloocl
1041	FSSF	Difluorodisulfane	fssf
1042	S2F2	Thio-thionyl fluoride	s2f2
1043	SSCl2	Thiothionyl chloride	sscl2
1044	SeOCl2	selenium oxychloride	seocl2
1045	NF3-	Nitrogen trifluoride anion	nf3-
1046	NF3+	Nitrogen trifluoride cation	nf3+
1047	NCl3	nitrogen trichloride	ncl3
1048	AsF3	Arsenic trifluoride	asf3
1049	SbF3	Antimony Trifluoride	sbf3
1050	AsCl3	Arsenous trichloride	ascl3
1051	SbCl3	Antimony Trichloride	sbcl3
1052	NBr3	Nitrogen Tribromide	nbr3
1053	PBr3	Phosphorus tribromide	pbr3
1054	AsBr3	Arsenic tribromide	asbr3
1055	NI3	Nitrogen triiodide	ni3
1056	PI3	Phosphorus triiodide	pi3
1057	SF3	Sulfur trifluoride	sf3
1058	ClF3	Chlorine trifluoride	clf3
1059	IF3	iodone trifluoride	if3
1060	HClO3	Chloric Acid	hclo3
1061	SiHF3	trifluorosilane	sihf3
1062	CDCl3	trichloromethane-d	cdcl3
1063	CHBrF2	Methane, bromodifluoro-	chbrf2
1064	CHFClBr	fluorochlorobromomethane	chfclbr
1065	CHBrCl2	Methane, bromodichloro-	chbrcl2
1066	CHF2I	difluoroiodomethane	chf2i
1067	CHBr2F	dibromofluoromethane	chbr2f
1068	CHFClI	fluorochloroiodomethane	chfcli
1069	CHCl2I	dichloroiodomethane	chcl2i
1070	CHClBr2	Methane, dibromochloro-	chclbr2
1071	CHI3	Iodoform	chi3
1072	NF3H+	protonated nitrogen trifluoride	nf3h+
1073	AsF3H+	Arsenic trifluoride, protonated	asf3h+
1074	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1075	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
1076	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1077	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1078	C2H2Br2	1,1-dibromoethene	c2h2br2
1079	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1080	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1081	CH2FCHO	Fluoroacetaldehyde	ch2fcho
1082	CH2ClCHO	chloroacetaldehyde	ch2clcho
1083	C2H4F2	1,2-difluoroethane	c2h4f2
1084	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1085	CH2BrCH2Cl	1-bromo-2-chloroethane	ch2brch2cl
1086	CH2BrCH2Br	Ethane, 1,2-dibromo-	ch2brch2br
1087	CH2CFCH3	2-fluoropropene	2fpro
1088	CH2CHCH2F	Allyl Fluoride	allylf
1089	CH3CHCHF	trans-1-Fluoro-1-propene	propene1ft
1090	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
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	Bicyclo[2.1.0]pent-2-ene	c5164352
1106	C5H6	Cyclopropylacetylene	c6746947
1107	C5H6	Propellane	propellane
1108	C5H7	1,3-pentadienyl radical	pdyl
1109	C5H7	cyclopentenyl radical	cpyl
1110	C5H8	1,2-Butadiene, 3-methyl-	c598254
1111	C5H8	1,2-Pentadiene	c591957
1112	C5H8	1,3-Butadiene, 2-methyl-	c78795
1113	C5H8	1,3-Pentadiene, (Z)-	c1574410
1114	C5H8	1,4-Pentadiene	c591935
1115	C5H8	1-pentyne	a1pentyne
1116	C5H8	2,3-Pentadiene	c591968
1117	C5H8	Bicyclo[1.1.1]pentane	bcp
1118	C5H8	Cyclobutane, methylene-	c1120565
1119	C5H8	Cyclopentene	c142290
1120	C5H8	Ethenylcyclopropane	c693867
1121	CH3CCCH2CH3	2-Pentyne	2pentyne
1122	C5H10	1-Butene, 2-methyl-	c563462
1123	C5H10	2-Butene, 2-methyl-	c513359
1124	C5H10	2-Pentene, (E)-	c646048
1125	C5H10	2-Pentene, (Z)-	c627203
1126	C5H10	Cyclopentane	c287923
1127	C5H10	Cyclopropane, 1,1-dimethyl-	c1630940
1128	CH2CHCH2CH2CH3	1-pentene	pentene
1129	C5H11	2-Methylbut-2-yl radical	c4348350
1130	C5H12	Butane, 2-methyl-	buta2
1131	Si(CH3)4	tetramethylsilane	tms
1132	N2O3	Dinitrogen trioxide	n2o3
1133	CH2N4	1H-Tetrazole	1htz
1134	C3H3N2	imidazolyl radical	im
1135	C3H3N2-	imidizolyl anion	im-
1136	C2H3N3	1H-1,2,4-Triazole	c288880
1137	C4H4N	pyrrolide radical	c4h4n
1138	C4H4N-	pyrrolide anion	c4h4n-
1139	C3H4N2	2H-Imidazole	imid2h
1140	C3H4N2	4H-Imidazole	imid4h
1141	C4H5N	(E)-2-Butenenitrile	c627269
1142	C4H5N	(Z)-2-Butenenitrile	c1190767
1143	C4H5N	2H-pyrrole	pyrrole2
1144	C4H5N	3H-pyrrole	pyrrole3
1145	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1146	C4H6N+	pyrrole, alpha-protonated	appyr
1147	C4H6N+	pyrrole, beta-protonated	bppyr
1148	C4H6N+	pyrrole, protonated	ppyr
1149	C3H6N2	3-Aminopropionitrile	c151188
1150	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1151	CH3CH2CH2CN	Butanenitrile	c109740
1152	C5H8	Bicyclo[2.1.0]pentane	c185944
1153	C4H9N	Cyclobutylamine	cbam
1154	C3H10N2	1,2-Diaminopropane	diampr12
1155	C(CH3)3NH2	2-Propanamine, 2-methyl-	c75649
1156	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	c78819
1157	C(NH2)H2CH2CH2CH3	1-Butanamine	butam1
1158	CH3C(NH2)HCH2CH3	2-Butanamine	butam2
1159	NH(C2H5)2	diethylamine	dea
1160	NC4H12+	tetramethyl ammonium cation	nc4h12+
1161	C3O2+	Carbon suboxide cation	c3o2+
1162	B2O3	diboron trioxide	b2o3
1163	MgCO3	Magnesium Carbonate	mgco3
1164	BeCO3	Beryllium Carbonate	beco3
1165	CaCO3	Calcium Carbonate	caco3
1166	ONONO	Nitrosyl nitrite	onono
1167	HOONO2	peroxy nitric acid	hoono2
1168	HSO4-	bisulfate anion	hso4-
1169	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1170	C3H2O2	Propiolic acid	c3h2o2
1171	CHOCOOH	oxo acetic acid	oaa
1172	CHOOCHO	diformyl ether	choocho
1173	H2SeO4	Selenic acid	h2seo4
1174	C3H3NO	Oxazole	oxazole
1175	C3H3NS	Thiazole	thiazole
1176	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1177	H3PO4	Phosphoric Acid	h3po4
1178	C4H4O+	Furan cation	furan+
1179	CH3COCCH	3-butyn-2-one	c1423605
1180	C4H4Se	selenophene	c4h4se
1181	C3H4O2	Methyl glyoxal	megly
1182	HOCHCCHOH	allenediol	aldiol
1183	C2H4O3	1,2,3-trioxolane	c2h4o3
1184	C2H4O3	trioxolane124	triox
1185	HOCH2COOH	Hydroxyacetic acid	hac
1186	CH3OCH2CN	Methoxyacetonitrile	c1738369
1187	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1188	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1189	CH2CHSCHCH2	Divinyl sulfide	divis
1190	C2H6N2O	Urea, methyl-	c598505
1191	C3H6O2	1,3-Dioxolane	dioxolane
1192	CH3CH2COOH	Propanoic Acid	propanoic
1193	HCOOC2H5	Ethyl formate	faee
1194	C3H7NO	dimethylformamide	dmf
1195	C3H7NO	Propanamide	propanam
1196	C2H3OC2H5	Ethene, ethoxy-	c109922
1197	C4H8O	Furan, tetrahydro-	thf
1198	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	pre1meo2
1199	CH3COCH2CH3	2-Butanone	buta2one
1200	CHOCH(CH3)CH3	Propanal, 2-methyl-	c78842
1201	CHOCH2CH2CH3	Butanal	butanal
1202	C4H8S	Thiophene, tetrahydro-	tht
1203	C3H8O2	1,3-Propanediol	c504632
1204	C3H8O2	Methane, dimethoxy-	c109875
1205	C3H8O2	Propylene glycol	c57556
1206	C4H10O	1-Butanol	butanol1
1207	C4H10O	1-Propanol, 2-methyl-	c78831
1208	C4H10O	2-Butanol, (.+/-.)-	butanol2
1209	C4H10O	Ethanol, 1,1-dimethyl-	tbuoh
1210	C4H10O	Ethoxy ethane	etoet
1211	C4H10O	Methyl propyl ether	meopr
1212	C4H10O	Propane, 2-methoxy-	c598538
1213	C4H10O+	1-Butanol cation	butanol1+
1214	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1215	C2H5SC2H5	Diethyl sulfide	etset
1216	C4H9SH	1-Butanethiol	bush
1217	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1218	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1219	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1220	ClONO2	Chlorine nitrate	clono2
1221	BrONO2	Bromine nitrate	brono2
1222	TiCl4	Titanium tetrachloride	ticl4
1223	SO2F2	Sulfuryl fluoride	so2f2
1224	TiF4	Titanium tetrafluoride	tif4
1225	CF3Br	Bromotrifluoromethane	cf3br
1226	GeF4	Germanium tetrafluoride	gef4
1227	CCl4+	Carbon tetrachloride cation	ccl4+
1228	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1229	CBrCl2F	bromodichlorofluoromethane	cbrcl2f
1230	CF3I	trifluoroiodomethane	cf3i
1231	CBrCl3	Methane, bromotrichloro-	cbrcl3
1232	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1233	GeCl4	Germanium Tetrachloride	gecl4
1234	CBr2ClF	dibromochlorofluoromethane	cbr2clf
1235	CBr2Cl2	dibromodichloromethane	cbr2cl2
1236	CCl3I	trichloroiodomethane	ccl3i
1237	CFBr3	fluorotribromomethane	cfbr3
1238	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1239	CBr3Cl	tribromochloromethane	cbr3cl
1240	CF2I2	difluorodiiodomethane	cf2i2
1241	CCl2I2	dichlorodiiodomethane	ccl2i2
1242	SiBr4	Silicon tetrabromide	sibr4
1243	CBr3I	tribromoiododmethane	cbr3i
1244	GeBr4	Germanium tetrabromide	gebr4
1245	CI4	tetraiodomethane	ci4
1246	SiI4	silicon tetraiodide	sii4
1247	ClOF3	Chlorine trifluoride oxide	clof3
1248	SeF4	Selenium tetrafluoride	sef4
1249	SCl4	Sulfur tetrachloride	scl4
1250	C2HF3+	Trifluoroethylene cation	c2hf3+
1251	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1252	HClO4	perchloric acid	hclo4
1253	CF3OH	trifluoromethanol	cf3oh
1254	CH2ClCCCl	1,3-dichloropropyne	ch2clcccl
1255	CHClCCHCl	1,3-dichloroallene	chclcchcl
1256	CHCl2CCH	3,3-dichloropropyne	chcl2cch
1257	CHCl2CHO	dichloroacetaldehyde	chcl2cho
1258	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1259	CHF2CH2F	Ethane, 1,1,2-trifluoro	ch2fchf2
1260	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1261	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1262	CH2ClCHCl2	1,1,2-trichloroethane	ch2clchcl2
1263	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1264	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1265	NH3BCl3	Amminetrichloroboron	nh3bcl3
1266	SiH3CCl3	(trichloromethyl)silane	sih3ccl3
1267	CH2CClCHCH2	1,3-Butadiene, 2-chloro-	c4h5cl
1268	CH2FCH2CH2F	1,3-difluoropropane	ch2fch2ch2f
1269	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1270	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
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	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1292	C6H4	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1293	C6H4	Benzyne	benzyne
1294	C6H5	phenyl	phenyl
1295	C6H5-	phenyl anion	phenyl-
1296	C6H6	Prismane	prismane
1297	C6H6	1,2,4,5-Hexatetraene	ht1245
1298	C6H6	2,4-Hexadiyne	hexadiyne
1299	C6H6	3,4-Dimethylenecyclobutene	cb34m
1300	C6H6	Benzene	benzene
1301	C6H6	Benzvalene	bv
1302	C6H6	Dewar Benzene	dewar
1303	C6H6	Hexa-1,5-diene-3-yne	hdy153
1304	C6H6	Trimethylenecycopropane	tmcp
1305	C6H6+	Benzene cation	c6h6+
1306	C6H7+	benzene, protonated	c6h7+
1307	C6H8	(E)-hexa-1,3,5-triene	c821078
1308	C6H8	(E)-hexa-2,3,4-triene	c59660650
1309	C6H8	(Z)-hexa-1,3,5-triene	hexatri135
1310	C6H8	(Z)-hexa-2,3,4-triene	hetr234c
1311	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1312	C6H8	1,4-Cyclohexadiene	cyhexadiene14
1313	C6H8	3-Methylenecyclopentene	c930267
1314	C6H8	Bicyclo[2.1.1]hex-2-ene	c822413
1315	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1316	C6H8	Bicyclo[3.1.0]hex-2-ene	c694019
1317	C6H10	1,3-Hexadiene, (E)-	hexdi13e
1318	C6H10	1,3-Hexadiene, (Z)-	hexdi13z
1319	C6H10	1,4-Hexadiene, (E)-	hexdi14t
1320	C6H10	1,4-Hexadiene, (Z)-	hexdi14z
1321	C6H10	1,5-Hexadiene	c592427
1322	C6H10	1-Butyne, 3,3-dimethyl-	c917920
1323	C6H10	1-Hexyne	hexyne1
1324	C6H10	2,4-Hexadiene, (E,E)-	hexdi24ee
1325	C6H10	2,4-Hexadiene, (E,Z)-	hexdi24ez
1326	C6H10	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1327	C6H10	2-Hexyne	c764352
1328	C6H10	3-Hexyne	hexyne3
1329	C6H10	cyclohexene	cyclohexene
1330	C6H10	Cyclopentene, 1-methyl-	c693890
1331	C6H10	Cyclopentene, 3-methyl-	c1120623
1332	C6H10	Cyclopentene, 4-methyl-	c1759815
1333	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1334	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1335	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1336	C6H12	(E)-2-Hexene	e2hexene
1337	C6H12	(E)-3-methylpent-2-ene	c616126
1338	C6H12	(E)-hex-3-ene	e3hexene
1339	C6H12	(Z)-3-methylpent-2-ene	c922623
1340	C6H12	(Z)-hex-2-ene	z2hexene
1341	C6H12	(Z)-hex-3-ene	z3hexene
1342	C6H12	2,3-dimethylbut-1-ene	c563780
1343	C6H12	2,3-dimethyl-but-2-ene	tmeet
1344	C6H12	3-methylenepentane	c760214
1345	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1346	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1347	C6H12	Cyclohexane	cyclohexane
1348	C6H12	Cyclopentane, methyl-	c96377
1349	C6H12	Ethylcyclobutane	c4806615
1350	C6H12	hex-1-ene	hexene1
1351	C6H14	Butane, 2,2-dimethyl-	buta22
1352	C6H14	Butane, 2,3-dimethyl-	buta23
1353	C6H14	Hexane	hexane
1354	C6H14	Pentane, 2-methyl-	penta2
1355	C6H14	Pentane, 3-methyl-	penta3
1356	C4N2	2-Butynedinitrile	c4n2
1357	N3P3	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1358	C4H2N2	Fumaronitrile	c4h2n2
1359	C2H2N4	sym-tetrazine	ttz
1360	C3H3N3	1,3,5-Triazine	triazine135
1361	CH3N5	5-Aminotetrazole	c4418615
1362	C4H4N2	1,3-Diazine	diazine13
1363	C4H4N2	Pyrazine	pyrazine
1364	C4H4N2	Pyridazine	pyridazine
1365	C4H4N2	Succinonitrile	c110612
1366	C2H4N4	1H-Tetrazole, 1-methyl-	c16681779
1367	C2H4N4	1H-Tetrazole, 5-methyl-	c4076362
1368	C2H4N4	2H-Tetrazole, 2-methyl-	c16681780
1369	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1370	C5H5N	E-2,4-pentadienenitrile	bdcn
1371	C5H5N	Pyridine	pyridine
1372	B3N3H6	borazine	borazine
1373	C6H6	Fulvene	fulvene
1374	C5H6N+	Pyridinium	c5h6n
1375	C4H6N2	1H-Imidazole, 2-methyl-	c693981
1376	C5H7N	(E)-2-Pentenenitrile	c26294984
1377	C5H7N	(E)-3-Pentenenitrile	c16529661
1378	C5H7N	(Z)-2-Pentenenitrile	c25899507
1379	C5H7N	1H-Pyrrole, 1-methyl-	c96548
1380	C5H7N	Cyclobutanecarbonitrile	c4426113
1381	C5H9N	1,2,3,6-Tetrahydropyridine	c694053
1382	C5H9N	Butanenitrile, 2-methyl-	c18936179
1383	C5H9N	Pentanenitrile	c110598
1384	C5H9N	Propanenitrile, 2,2-dimethyl-	c630182
1385	C6H10	Bicyclo[3.1.0]hexane	c285585
1386	C5H11N	Cyclopentanamine	cypentam
1387	C5H11N	Piperidine	piper
1388	C4H12N2	1,2-Butanediamine	c4426486
1389	C4H12N2	2-Methyl-1,2-propanediamine	c811938
1390	Li2CO3	Lithium Carbonate	li2co3
1391	Na2CO3	Sodium Carbonate	na2co3
1392	C2O4--	oxalate anion	c2o4
1393	MgSO4	Magnesium Sulfate	mgso4
1394	N2O4	Dinitrogen tetroxide	n2o4
1395	C3H2O3	vinylene carbonate	vica
1396	C2H2O4	Oxalic Acid	oxalic
1397	C2H3NO3	Oxamic acid	oxamic
1398	C4H4O2	2(5H)-Furanone	furanone
1399	C4H4O2	2-Oxetanone, 4-methylene-	c674828
1400	C2H4N2O2	Oxalamide	oxalamide
1401	C2H4N2S2	Ethanedithioamide	c79403
1402	C2H4CO3	Ethylene carbonate	etco3
1403	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1404	C3H4S3	1,3-Dithiolane-2-thione	c822388
1405	C2H4O4	Formic acid dimer	fadimer
1406	C4H5NO	3-Methylisoxazole	isox3m
1407	C4H5NO	Isoxazole, 5-methyl-	c5765446
1408	C4H5NS	4-Methylthiazole	c693958
1409	C2H5NO3	Nitric acid, ethyl ester	c625581
1410	C5H6O	2H-Pyran	pyran2
1411	C5H6O	2-methylfuran	furan2m
1412	C5H6O	3-Methylfuran	furan3m
1413	C5H6O	Pentadienal	pdal
1414	C5H6S	Thiophene, 2-methyl-	c554143
1415	C5H6S	Thiophene, 3-methyl-	c616444
1416	C4H6O2	γ–Butyrolactone	c96480
1417	C4H6O2	2,3-Butanedione	c431038
1418	C4H6O2	2-Propenoic acid, methyl ester	c96333
1419	C4H6O2	Crotonic Acid	crot
1420	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1421	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1422	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1423	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1424	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1425	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1426	C4H6OS	Vinyl sulfoxide	c1115157
1427	CH6N4S	Carbonothioic dihydrazide	thiacarb
1428	C2H6N2O2	(E)-Azodioxymethane	c37765154
1429	C2H6N2O2	Dimethylnitroamine	c4164287
1430	C3H6O3	1,3,5-Trioxane	trioxane
1431	C3H6S3	1,3,5-Trithiane	c3h6s3
1432	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1433	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1434	C4H7NO	2-Pyrrolidinone	c616455
1435	C4H7NO	Ethoxyacetonitrile	etoaccn
1436	C4H7NO	Methacrylamide	c79390
1437	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1438	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1439	C3H7ONO	Propyl nitrite	prono
1440	CH3CH(CH3)ONO	Isopropyl nitrite	c541424
1441	CH3CH(NH2)COOH	Alanine	alanine
1442	CH3NHCH2COOH	Sarcosine	sarcosine
1443	NH2CH2CH2COOH	β–alanine	betaalanine
1444	NH2COOC2H5	Urethane	urethane
1445	C5H8O	2H-Pyran, 3,4-dihydro-	c110872
1446	C5H8O	Cyclopentanone	c120923
1447	C5H8O	Furan, 2,3-dihydro-5-methyl-	c1487156
1448	C5H8O	Methyl cyclopropyl ketone	c765435
1449	N(CH3)2CONH2	Urea, N,N-dimethyl-	c598947
1450	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1451	NH2CONHC2H5	Urea, ethyl-	c625525
1452	C4H8O2	1,3-Dioxane	dioxan13
1453	C4H8O2	1,3-Dioxolane, 2-methyl-	c497267
1454	C4H8O2	1,4-Dioxane	dioxan14
1455	C4H8O2	Ethene, 1,1-dimethoxy-	c922690
1456	C4H8O2	Ethyl acetate	c141786
1457	C4H8OS	s-Ethyl thioacetate	c625605
1458	C3H8O3	1,2,3-Propanetriol	glycerin
1459	C3H8O2S	(Methylsulfonyl)ethane	c594434
1460	C4H9NO	Butanamide	c541355
1461	C4H9NO	Propanamide, 2-methyl-	c563837
1462	C5H10O	2-Butanone, 3-methyl-	c563804
1463	C5H10O	2H-Pyran, tetrahydro-	c142687
1464	C5H10O	2-methylbutyraldehyde	2meba
1465	C5H10O	2-Pentanone	mpk
1466	C5H10O	3-Pentanone	dek
1467	C5H10O	Cyclopentanol	c96413
1468	C5H10O	Oxetane, 3,3-dimethyl-	c6921353
1469	C5H10O	Pentanal	pal
1470	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1471	C5H10S	3-Ethylthio-1-propene	c5296628
1472	C5H10S	Cyclopentanethiol	c1679078
1473	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1474	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1475	C4H10O2	1,1-Dimethoxyethane	c534156
1476	C4H10O2	1,3-Butanediol	budiol13
1477	C4H10O2	1,4-Butanediol	budiol14
1478	C4H10O2	Ethane, 1,2-dimethoxy-	c110714
1479	C4H10OS	Diethyl sulfoxide	c70291
1480	C4H10S2	1,4-Butanedithiol	budisl14
1481	C4H11NO	Diethylhydroxylamine	c3710847
1482	C5H12O	1-Butanol, 2-methyl-	c137326
1483	C5H12O	1-Butanol, 3-methyl-	c123513
1484	C5H12O	1-Pentanol	pentanol1
1485	C5H12O	2-Butanol, 3-methyl-	c598754
1486	C5H12O	2-Pentanol	peol2
1487	C5H12O	3-Pentanol	pentan3ol
1488	C5H12O	Butane, 1-methoxy-	meobu
1489	C5H12O	Propane, 1-ethoxy-	proet
1490	C5H12O	Propane, 2-methoxy-2-methyl-	c1634044
1491	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1492	C5H12S	1-Butanethiol, 3-methyl-	c541311
1493	C5H12S	1-Pentanethiol	c110667
1494	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1495	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1496	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1497	C5H12S	Butane, 1-(methylthio)-	c628295
1498	C5H12S	Ethyl propyl sulfide	c4110503
1499	C5H12S	Propane, 2-(ethylthio)-	c5145993
1500	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1501	C4F2	difluorobutadiyne	c4f2
1502	ClCOClCO	Oxalyl chloride	oxcl
1503	CF3CN	Acetonitrile, trifluoro-	cf3cn
1504	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1505	B2F4	Diboron tetrafluoride	b2f4
1506	B2Cl4	Diboron tetrachloride	b2cl4
1507	C2F4	Tetrafluoroethylene	c2f4
1508	C2F4+	Tetrafluoroethylene cation	c2f4+
1509	C2ClF3	Ethene, chlorotrifluoro-	c2f3cl
1510	CF2CCl2	difluorodichloroethylene	cf2ccl2
1511	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1512	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1513	C2FCl3	fluorotrichloroethene	c2fcl3
1514	C2Cl4	Tetrachloroethylene	c2cl4
1515	C2Br4	tetrabromoethene	c2br4
1516	CF3OF	Trifluoromethylhypofluorite	cf3of
1517	SiF5-	silicon pentafluoride anion	sif5-
1518	SOF4	Sulfur tetrafluoride oxide	sof4
1519	PF5	Phosphorus pentafluoride	pf5
1520	AsF5	Arsenic pentafluoride	asf5
1521	PCl5	Phosphorus pentachloride	pcl5
1522	SF5	Sulfur pentafluoride	sf5
1523	SF5+	pentafluoro sulfur cation	sf5+
1524	SbCl5	Antimony pentachloride	sbcl5
1525	BrF5	bromine pentafluoride	brf5
1526	ClF5	chlorinepentafluoride	clf5
1527	IF5	pentafluoroiodine	if5
1528	CF3CHO	trifluoroacetaldehyde	cf3cho
1529	CCl3CHO	trichloroacetaldehyde	ccl3cho
1530	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1531	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1532	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1533	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1534	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1535	CH2ClCCl3	1,1,1,2-tetrachloroethane	ch2clccl3
1536	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1537	CH2BrCBr3	1,1,1,2-tetrabromo ethane	c2h2br4
1538	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1539	CF3COOH	trifluoroacetic acid	cf3cooh
1540	C4H3ClO	Furan, 2-chloro	fur2cl
1541	C4H3ClO	Furan,3-chloro	fur3cl
1542	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1543	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1544	C4H8Cl2	1,4-Dichlorobutane	c110565
1545	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1546	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1547	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1548	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1549	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1550	C5H11Cl	Pentane, 1-chloro-	pencl1
1551	C4H8O2	Butanoic acid	bua
1552	C6H5CH2	benzyl radical	benzyl
1553	C7H7	cycloheptatrienyl radical	c7h7
1554	C7H7+	cycloheptatrienyl cation	c7h7+
1555	C6H5CH3	toluene	toluene
1556	C7H8	cycloheptatriene	cht
1557	C7H8	Norbornadiene	norbor
1558	C7H8	Quadricyclane	qucy
1559	C7H12	Norbornane	nor
1560	C7H14	cycloheptane	c7h14
1561	C7H16	2-methylhexane	2mhex
1562	C7H16	3-methylhexane	hex3m
1563	C7H16	heptane	heptane
1564	CH(CN)3	tricyanomethane	mecn3
1565	HN=C=C(CN)2	Dicyanoketenimine	c4hn3
1566	C6H7N	2-Methylpyridine	mp
1567	C6H5NH2	aniline	aniline
1568	C6H13N	2-Methylpiperidine	pip2m
1569	C6H13N	cyclohexanamine	cham
1570	C6H15N	triethylamine	tea
1571	N2O5	Dinitrogen pentoxide	n2o5
1572	C4H2O3	Maleic Anhydride	malan
1573	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1574	C5H4O2	furfural	furfural
1575	C6H5O	phenoxy radical	phenoxy
1576	C5H5NO	2(1H)-Pyridinone	c72762006
1577	C5H5NO	2(3H)-Pyridinone	c9000048
1578	C5H5NO	2(5H)-Pyridinone	c9000037
1579	C5H5NO	2-Pyridinol	c109104
1580	C5H5NO	3(2H)-Pyridinone	c9000004
1581	C5H5NO	3(4H)-Pyridinone	c9000026
1582	C5H5NO	3(6H)-Pyridinone	c9000015
1583	C5H5NO	3-Pyridinol	c109002
1584	C5H5NO	4(1H)-Pryidinone	c9000060
1585	C5H5NO	4(3H)-Pryidinone	c9000059
1586	C5H5NO	4-Pyridinol	c626642
1587	C6H5OH	phenol	phenol
1588	C6H6O	2,4-Cyclohexadienone	c24599573
1589	C6H6O	2,5-Cyclohexadienone	c5664335
1590	C6H5SH	Benzenethiol	phsh
1591	HO2CCHNH2CH2OH	Serine	serine
1592	C5H8O2	Acetylacetone	acac
1593	C4H8O2S	Sulfolane	sulfolane
1594	C7H10	Norbornene	norbornene
1595	CH(C2H3)3	trivinyl methane	tvm
1596	C6H10O	cyclohexanone	chexo
1597	C6H12O	hexanal	c6h12o
1598	C6H12O	Oxepane	oxepane
1599	C3H7OC3H7	di-n-propyl ether	propr
1600	F2CCCF2	tetrafluoroallene	pfa
1601	CF3COO-	trifluoro acetate anion	cf3coo-
1602	CF3COF	trifluoroacetyl fluoride	cf3cof
1603	CF3COCl	trifluoroacetyl chloride	cf3cocl
1604	PF6	Hexafluorophosphate neutral	pf6
1605	PF6-	Hexafluorophosphate ion	pf6-
1606	SF6	Sulfur Hexafluoride	sf6
1607	SeF6	Selenium hexafluoride	sef6
1608	SF5Cl	sulfur chloropentafluoride	sf5cl
1609	CF3CHF2	pentafluoroethane	cf3chf2
1610	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1611	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1612	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1613	CCl3CHCl2	pentachloroethane	ccl3chcl2
1614	C6H5F	Fluorobenzene	bzf
1615	C6H5Cl	chlorobenzene	bzcl
1616	C6H5Br	bromobenzene	bzbr
1617	C8H6	Calicene	calicene
1618	C6H5CCH	phenylacetylene	phac
1619	C8H6	benzocyclobutadiene	bcbd
1620	C8H6	Pentalene	pentalene
1621	C6H5CHCH2	Styrene	styrene
1622	C8H8	cubane	cubane
1623	C8H8	cyclooctatetraene	cot
1624	C6H5CH2CH3	Ethylbenzene	etbz
1625	CH3C6H4CH3	meta-xylene	mxylene
1626	CH3C6H4CH3	paraxylene	pxylene
1627	C8H14	Bicyclo[2.2.2]octane	bico222
1628	C8H16	cyclooctane	cyclooct
1629	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1630	C8H18	Octane	c8h18
1631	C6H5CN	phenyl cyanide	phcn
1632	C6H12N2	Triethylenediamine	ted
1633	C4O4--	squarate dianion	c4o4--
1634	S4N4	Tetrasulfur tetranitride	s4n4
1635	S8	Octasulfur	s8
1636	C6H4O2	parabenzoquinone	pbq
1637	C4H4N2O2	Uracil	uracil
1638	C6H5CHO	benzaldehyde	benzal
1639	C6H5OCH3	Anisole	anisole
1640	C5H9NO2	Proline	proline
1641	C6H12O2	Methyl pivalate	c598981
1642	C6H12O2	Hexanoic acid	hexa
1643	C4F4	tetrafluorcyclobutadiene	c4f4
1644	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1645	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1646	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1647	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1648	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1649	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1650	C2F6	hexafluoroethane	c2f6
1651	C2Cl6	hexachloroethane	c2cl6
1652	IF7	Iodine heptafluoride	if7
1653	C6H4F2	metadifluorobenzene	mdfb
1654	C6H4F2	orthodifluorobenzene	odfb
1655	C6H4F2	1,4-difluorobenzene	pdfb
1656	C6H4Cl2	1,2-dichlorobenzene	dcb12
1657	C6H4Cl2	1,3-dichlorobenzene	dcb13
1658	C6H4Cl2	1,4-dichlorobenzene	dcb14
1659	C6H5NO	nitrosobenzene	bzno
1660	C9H8	Indene	indene
1661	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1662	C9H12	n-propyl benzene	prbz
1663	C9H20	Nonane	nonane
1664	C(CN)4	tetracyanomethane	c5n4
1665	C5H4N4	purine	purine
1666	C8H7N	Indole	indole
1667	C3H3N3O3	cyanuric acid	cyanuric
1668	C6H5NO2	Nitrobenzene	c6h5no2
1669	C6H5COOH	benzoic acid	benzo
1670	CH3COC6H5	acetophenone	acph
1671	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1672	C3F6	hexafluoropropene	c3f6
1673	C6H3F3	Benzene trifluoride 123	bzf3a
1674	C8H18O	1-Octanol	octanol
1675	C10H8	Azulene	azu
1676	C10H8	naphthalene	naph
1677	C10H10	bullvalene	bullv
1678	C10H16	adamantane	adamantane
1679	C6N4	Tetracyanoethylene	tcne
1680	C6N4-	tetracyanoethylene anion	tcne-
1681	C10H22	Decane	decane
1682	C4F6	perfluorobutadiene	c4f6
1683	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1684	C3F8	perfluoropropane	c3f8
1685	Fe(CO)5	Iron pentacarbonyl	ipc
1686	Fe(C5H5)2	ferrocene	fecp2
1687	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1688	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1689	C12H8	Acenaphthylene	acenaph
1690	C12H8	biphenylene	biph
1691	C12H10	biphenyl	biphenyl
1692	C12H10	Heptalene	heptalene
1693	C6H12O6	Inositol	inositol
1694	C6F6	hexafluorobenzene	c6f6
1695	S2F10	disulphur decafluoride	s2f10
1696	C13H10	Fluorene	fluorene
1697	C14H10	Anthracene	anth
1698	C14H10	Phenanthrene	phenanthrene
1699	C14H14	Bibenzyl	bibenzyl
1700	C12H10N2	azobenzene	azobenzene
1701	C6H5COC6H5	benzophenone	benzophenone
1702	C16H10	Pyrene	pyrene
1703	C18H12	Tetracene	tetracene
1704	C19H16	Triphenylmethane	tpm
1705	C24H12	Coronene	coronene
1706	C60	Buckminsterfullerene	c60