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
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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 CCSD(T)=FULL /6-311+G(3df,2p)

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count	Species	Name	State	Conformation
1	H	Hydrogen atom	1S	Kh
2	H2	Hydrogen diatomic	1Σg	D∞h
3	He	Helium atom	1S	Kh
4	He	Helium atom
5	He+	Helium atom cation	2S	Kh
6	HeH+	Helium hydride cation	1Σ	C∞v
7	He2+	helium diatomic cation	2Σu	D∞h
8	Li	Lithium atom	2S	Kh
9	Na	Sodium atom	2S	Kh
10	Na+	Sodium atom cation	1S	Kh
11	K	Potassium atom	2S	Kh
12	LiH	Lithium Hydride	1Σ	C∞v
13	KH	Potassium hydride	1Σ	C∞v
14	CuH	Copper monohydride	1Σ	C∞v
15	Be	Beryllium atom	1S	Kh
16	Be+	Beryllium atom cation	2S	Kh
17	Mg	Magnesium atom	1S	Kh
18	Mg+	Magnesium atom cation	2S	Kh
19	MgH	magnesium monohydride	2Σ	C∞v
20	ZnH+	Zinc, protonated
21	BeH2+	Beryllium dihydride cation
22	B	Boron atom	2P	Kh
23	B	Boron atom	4P	Kh
24	B+	Boron atom cation	1S	Kh
25	Al	Aluminum atom	2P	Kh
26	Al-	Aluminum atom anion	3P	Kh
27	Al+	Aluminum atom cation	1S	Kh
28	Ga	Gallium atom	2P
29	Ga-	Gallium atom anion	3P	Oh
30	Ga+	Gallium atom cation	1S
31	GaH	Gallium monohydride	1Σ	C∞v
32	GaH+	Gallium monohydride cation	2Σ	C∞v
33	BH3+	boron trihydride cation	2B2	C2v
34	BH3+	boron trihydride cation		C2v
35	AlH3-	aluminum trihydride anion		C3v
36	BH4-	borohydride anion	1A1	Td
37	C	Carbon atom	3P0	Kh
38	C	Carbon atom	3P1	Kh
39	C+	Carbon atom cation	2P	Kh
40	Si	Silicon atom	3P	Kh
41	Si	Silicon atom	1S	Kh
42	Si-	Silicon atom anion	4S	Kh
43	Si+	Silicon atom cation	2P	Kh
44	Ge	Germanium atom	3P	Kh
45	Ge-	Germanium anion	4S	Kh
46	Ge+	Germanium cation	2P	Kh
47	CH	Methylidyne	2Π1/2	C∞v
48	SiH	Silylidyne	2Π	C∞v
49	GeH	germylidene	2Π	C∞v
50	CH2-	methylene anion	2B1	C2v
51	GeH2	germylene	1A1	C2v
52	SiH3	Silyl radical	2A1	C3v
53	SiH3+	Silyl cation	1A1'	D3h
54	GeH3	Germyl radical	2A1	C3v
55	GeH3+	germyl cation	1A1'	D3h
56	CH4	Methane	1A1	Td
57	SiH2D2	silane-d2
58	GeH4	Germane	1A1	Td
59	SiH5+	Silane, protonated
60	N	Nitrogen atom	4S	Kh
61	N	Nitrogen atom	2D	Kh
62	N+	Nitrogen atom cation	3P	Kh
63	P	Phosphorus atom	4S	Kh
64	V+	Vanadium atom cation	5D	Kh
65	As	Arsenic atomic	4S	Kh
66	As-	Arsenic anion	3P	Kh
67	As+	Arsenic cation	3P	Kh
68	PH	phosphorus monohydride	3Σ-	C∞v
69	AsH	Arsenic monohydride	3Σ	C∞v
70	NH2	Amino radical	2B1	C2v
71	NH2+	Amino cation	3B1	C2v
72	NH2+	Amino cation	1A1	C2v
73	NH3	Ammonia	1A1	C3v
74	PH3	Phosphine	1A1	C3v
75	PH3+	Phosphine cation	2A1	C3v
76	AsH3	Arsine	1A1	C3v
77	AsH3+	Arsine cation	2A1	C3v
78	AsH4+	Arsonium
79	NH4	Ammonium radical
80	PH4	Phosphoranyl radical
81	O	Oxygen atom	3S	Kh
82	O+	Oxygen atom cation	4S	Kh
83	S	Sulfur atom	3P	Kh
84	S	Sulfur atom
85	Se	Selenium atom	3P	Kh
86	Se-	Selenium atom anion	2P	Kh
87	Se+	Selenium atom cation	4S	Kh
88	OH	Hydroxyl radical	2Π	C∞v
89	OH+	hydoxyl cation	3Σ	C∞v
90	HS-	mercapto anion	1Σ	C∞v
91	HS+	sulfur monohydride cation	3Σ	C∞v
92	CrH+	Chromium hydride cation	5Σ	C∞v
93	HSe	Selenium monohydride	2Π	C∞v
94	HSe-	selenium monohydride anion	1Σ	C∞v
95	HSe+	selenium monohydride cation	3Σ	C∞v
96	H2O	Water	1A1	C2v
97	H2O-	water anion	2A1	C2v
98	H2O-	water anion	2A'	Cs
99	H2O+	water cation	2B1	C2v
100	HDO	Water-d1	1A1	C2v
101	H2S+	Hydrogen sulfide cation	2B1	C2v
102	H2Se	Hydrogen selenide	1A1	C2v
103	H2Se+	Hydrogen selenide cation	2B1	C2v
104	H3S+	Sulfonium cation	1A1	C3v
105	H3Se+	Hydrogen Selenide, protonated	1A1	C3v
106	F	Fluorine atom	2P	Kh
107	F+	Fluorine atom cation	3S	Kh
108	Cl	Chlorine atom	2P	Kh
109	Cl+	Chlorine atom cation	3P	Kh
110	Br	Bromine atom	2P	Kh
111	Br-	Bromine atom anion	1S	Kh
112	Br+	Bromine atom cation	3P	Kh
113	HF	Hydrogen fluoride	1Σ	C∞v
114	HF-	hydrogen fluoride anion	2Σ	C∞v
115	HF+	hydrogen fluoride cation	2Π	C∞v
116	HCl	Hydrogen chloride	1Σ	C∞v
117	HCl-	hydrogen chloride anion	2Σ	C∞v
118	HCl+	hydrogen chloride cation	2Π	C∞v
119	HBr	hydrogen bromide	1Σ	C∞v
120	HBr-	hydrogen bromide anion	2Σ	C∞v
121	HBr+	hydrogen bromide cation	2Π	C∞v
122	H2Cl+	dihydrogen monochloride cation	1A1	C2v
123	H2Br+	protonated hydrogen bromide	2A1	C2v
124	Ne	Neon atom	1S	Kh
125	Ne	Neon atom
126	Ne+	Neon atom cation	2P	Kh
127	Ar	Argon atom	1S	Kh
128	Kr	Krypton atom	1S	Kh
129	Kr+	Krypton cation	2P	Kh
130	HeLi+	Helium Lithium cation
131	ArH+	Argon hydride cation	1Σ	C∞v
132	KrH+	Protonated Krypton	1Σ	C∞v
133	NaLi	lithium sodium	1Σ	C∞v
134	Na2	Sodium diatomic	1Σg	D∞h
135	Na2-	sodium diatomic anion	2Σu	D∞h
136	LiAl	Lithium Aluminum
137	HBBH	Diborane(2)	3ΣG	D∞h
138	B2H4	Diborane(4) D2d	1A1	D2d
139	B2H6	Diborane	1Ag	D2h
140	B2H6+	Diborane cation
141	CaC	Calcium monocarbide
142	BSi	Boron silicide	4Σ	C∞v
143	BSi	Boron silicide	2Σ	C∞v
144	GeC	Germanium monocarbide	1Σ	C∞v
145	SiGe	Silicon Germanium
146	C2H-	Ethynyl anion	1Σ	C∞v
147	C2H2	Acetylene	1Σg	D∞h
148	C2H2+	acetylene cation	2Πu	D∞h
149	C2H2+	acetylene cation
150	H2CC-	vinylidene anion
151	HCCH-	acetylene anion
152	HCCH-	acetylene anion
153	Si2H2	disilyne
154	Si2H2	disilyne
155	Si2H2	disilyne
156	Si2H2	disilyne
157	CH3Li	methyl lithium	1A1	C3v
158	C2H3	vinyl	2A'	Cs
159	C2H3+	vinyl cation	1A1	C2V bridging H
160	C2H3+	vinyl cation	1A1	C2V HCCH2
161	C2H4	Ethylene	1Ag	D2h
162	C2H4+	Ethylene cation	2B3	D2
163	Si2H4	Disilene
164	Si2H4	Disilene
165	Si2H4	Disilene
166	C2H5	Ethyl radical	2A'	Cs
167	C2H6	Ethane	1A1g	D3d
168	Si2H6	disilane	1Eu	D3d
169	LiN	Lithium Nitride	3Σ	C∞v
170	LiP	Lithium monophosphide
171	LiP	Lithium monophosphide
172	MgN	Magnesium Nitride
173	MgN	Magnesium Nitride
174	GaAs	Gallium arsenide	3Π
175	GaAs	Gallium arsenide	1Σ
176	CN	Cyano radical	2Σ	C∞v
177	SiP	Silicon monophosphide	2Π	C∞v
178	N2	Nitrogen diatomic	1Σg	D∞h
179	N2	Nitrogen diatomic
180	PN	Phosphorus mononitride	1Σ	C∞v
181	HCN	Hydrogen cyanide	1Σ	C∞v
182	HCN+	hydrogen cyanide cation	2Π	C∞v
183	HNC+	hydrogen isocyanide cation
184	HCP+	Phosphaethyne cation
185	NNH+	Dinitrogen monohydride cation	1Σ	C∞v
186	LiNH2	lithium amide
187	HBNH	Boranimine	1Σ	C∞v
188	H2NN	Isodiazene
189	N2H2+	trans-diazene cation	2AG	C2h
190	CH2NH	Methanimine	1A'	Cs
191	CH2NH+	Methanimine cation
192	CHNH2	aminomethylene
193	CHNH2+	Aminocarbene cation
194	BH2NH2	Boranamine
195	N2H4	Hydrazine	1A	C2
196	CH3NH2	methyl amine	1A'	Cs
197	SiH3NH2	Silane, amino
198	BH3PH3	borane phosphine
199	CH3NH3	methyl ammonium radical	2A1	C3v
200	N2H7+	ammonia ammonium dimer
201	LiSe	Lithium monoselenide
202	CaO	Calcium monoxide	1Σ	C∞v
203	CaS	Calcium sulfide	1Σ	C∞v
204	BO	boron monoxide	2Σ	C∞v
205	GaO	Gallium monoxide	2Σ	C∞v
206	GaS	Gallium monosulfide
207	CO	Carbon monoxide	1Σ	C∞v
208	CO-	carbon monoxide anion	2Π	C∞v
209	CO+	carbon monoxide cation	2Σ	C∞v
210	SiO	Silicon monoxide	1Σ	C∞v
211	SiS	silicon monosulfide	1Σ	C∞v
212	CSe	Carbon monoselenide	1Σ	C∞v
213	GeO	Germanium monoxide	1Σ	C∞v
214	SiSe	Silicon Monoselenide
215	SiSe+	Silicon Monoselenide cation
216	GeSe	Germanium monoselenide
217	NO	Nitric oxide	2Π	C∞v
218	NO-	nitric oxide anion	3Σ	C∞v
219	NO+	nitric oxide cation	1Σ	C∞v
220	PO	Phosphorus monoxide	2Π	C∞v
221	PS	phosphorus sulfide	2Σ	C∞v
222	NSe	Nitrogen monoselenide	2Π	C∞v
223	AsS	Arsenic monosulfide	2Π	C∞v
224	PSe	Phosphorus monoselenide	2Π	C∞v
225	AsSe	Arsenic monoselenide	2Π	C∞v
226	O2	Oxygen diatomic	3Σg	D∞h
227	O2--	dioxygen dianion
228	SO	Sulfur monoxide	3Σ	C∞v
229	SO	Sulfur monoxide	1Σ	C∞v
230	SO+	sulfur monoxide cation	2Π	C∞v
231	S2	Sulfur diatomic	3Σg	D∞h
232	SeO	Selenium monoxide	3Σ	C∞v
233	Se2	Selenium diatomic	3Σg	D∞h
234	LiOH	lithium hydroxide	1Σ	C∞v
235	KOH	Potassium hydroxide	1Σ	C∞v
236	BeOH	beryllium monohydroxide	2A'	Cs
237	HBO	Boron hydride oxide	1Σ	C∞v
238	HBS	hydrogen boron sulfide	1Σ	C∞v
239	COH	Hydroxymethylidyne
240	HCO	Formyl radical	2A'	Cs
241	HCO-	formyl anion	1A'	Cs
242	HCO+	Formyl cation	1Σ	C∞v
243	HNO	Nitrosyl hydride	1A'	Cs
244	HNO+	Nitrosyl hydride cation	2A'	Cs
245	HSO+	Sulfur Monoxide, S-protonated
246	SOH	Sulfur Hydroxide
247	SOH+	Sulfur Monoxide, protonated
248	H2CO	Formaldehyde	1A1	C2v
249	H2CO-	formaldehyde anion	2A'	Cs
250	H2CO-	formaldehyde anion
251	H2CO+	formaldehyde cation	2B2	C2v
252	H2CS	Thioformaldehyde	1A1	C2v
253	H2CS-	thioformaldehyde anion
254	H2CS-	thioformaldehyde anion
255	H2CSe	Selenoformaldehyde
256	H2O2	Hydrogen peroxide	1A	C2
257	H2O2	Hydrogen peroxide	1Ag	C2h
258	H2OO	water oxide
259	HOSH	hydrogen thioperoxide
260	H2Se2	hydrogen diselenide
261	CH2OH+	hydroxymethyl cation	1A'	Cs
262	CH3O-	methoxy anion	1A1	C3v
263	NH2OH	hydroxylamine	1A'	Cs
264	NH2OH+	Hydroxylamine cation
265	NH2SH	Thiohydroxylamine
266	NH2SH	Thiohydroxylamine
267	NH3S	sulfidoazane
268	CH3OH	Methyl alcohol	1A'	Cs
269	CH3OH+	Methyl alcohol cation	2A"	Cs
270	SiH3OH	silanol
271	NH2OH2+	protonated hydroxylamine
272	NH3OH+	N-protonated hydroxylamine
273	H5O2+	Dihydroxonium ion	1A	C2
274	LiF	lithium fluoride	1Σ	C∞v
275	LiCl	lithium chloride	1Σ	C∞v
276	NaF+	sodium fluoride cation	2Σ	C∞v
277	LiBr	Lithium Bromide	1Σ	C∞v
278	LiF+	lithium fluoride cation	2Π	C∞v
279	CaBr	Calcium monobromide
280	BF	Boron monofluoride	1Σ	C∞v
281	AlF	Aluminum monofluoride	1Σ+	C∞v
282	GaF	Gallium monofluoride	1Σ	C∞v
283	AlBr	Aluminum monobromide
284	GaCl	Gallium monochloride	1ΣG	C∞v
285	GaBr	Gallium monobromide
286	CF	Fluoromethylidyne	2Π	C∞v
287	SiCl	Clorosilylidyne	2Π	C∞v
288	CBr	Carbon monobromide	2Π	C∞v
289	GeF	Germanium monofluoride	2Π	C∞v
290	GeCl	Germanium monochloride	2Π	C∞v
291	GeCl+	Germanium monochloride cation
292	SiBr	Silicon monobromide	2Π	C∞v
293	SiBr+	Silicon monobromide cation
294	NCl	nitrogen monochloride	3Σ	C∞v
295	PBr	Phosphorus monobromide
296	ClO	Monochlorine monoxide	2Π	C∞v
297	ClO+	chlorine monoxide cation	3Σ	C∞v
298	SF	Monosulfur monofluoride	2Π	C∞v
299	SF+	sulfur monofluoride cation	3Σ	C∞v
300	SCl+	sulfur monochloride cation	3Σg	C∞v
301	BrO	Bromine monoxide	2Π	C∞v
302	BrO+	Bromine monoxide cation
303	SBr	Sulfur monobromide radical
304	SBr+	Sulfur monobromide cation
305	SeBr	Selenium monobromide
306	BrCl	Bromine monochloride	1Σ	C∞v
307	F2	Fluorine diatomic	1Σg	D∞h
308	F2+	flourine diatomic cation	2Πg	D∞h
309	ClF	Chlorine monofluoride	1Σ+	C∞v
310	ClF+	clorine monofluoride cation	2Π	C∞v
311	Cl2	Chlorine diatomic	1Σg	D∞h
312	Cl2+	chlorine diatomic cation	2Πg	D∞h
313	BrF	Bromine monofluoride	1Σ	C∞v
314	Br2	Bromine diatomic	1Σg	D∞h
315	Br2-	bromine diatomic anion	2Σu	D∞h
316	Br2+	bromine diatomic cation	2Πg	D∞h
317	HCF	Fluoromethylene	1A'	Cs
318	HCF	Fluoromethylene	3A"	Cs
319	HSiF	fluorosilylene
320	HSiCl	Chlorosilylene
321	HSiBr	monobromosilylene
322	HOF	Hypofluorous acid	1A'	Cs
323	HOCl	hypochlorous acid	1A'	Cs
324	HOCl+	hypochlorous acid cation
325	F2H+	Fluorine, protonated	1A'	Cs
326	ClFH+	Chlorine fluoride, F-protonated
327	FClH+	Chlorine fluoride, Cl-protonated
328	Cl2H+	Chlorine, protonated	1A'	Cs
329	CH2Br	bromomethyl radical
330	CH2F	fluoromethyl radical	2A	Cs
331	CH2F+	fluoromethyl cation
332	CH2Cl+	chloromethyl cation
333	CH2Cl	chloromethyl radical	2A'	Cs
334	CH2Cl	chloromethyl radical	2B1	C2v
335	NH2Cl	chloramine	1A'	Cs
336	CH3F+	methyl fluoride cation
337	CH3Cl	Methyl chloride	1A1	C3v
338	CH3Cl+	Methyl chloride cation
339	SiH3F	monofluorosilane	1A1	C3v
340	SiH3Cl	chlorosilane	1A1	C1
341	CH3Br	methyl bromide	1A1	C3v
342	GeH3F	monofluorogermane
343	GeH3Cl	monochlorogermane
344	NH3Cl+	protonated monochloroammonia
345	CH3ClH+	methyl chloride, protonated
346	NH4Cl	Ammonium chloride
347	LiNe+	Lithium Neon cation
348	Ar2	Argon diatomic	1Sg	D∞h
349	C3	carbon trimer	1Σg	D∞h
350	C3	carbon trimer	1A1	C2v
351	SiC2	Silicon dicarbide
352	C3H4	cyclopropene	1A1	C2v
353	CH2CCH2	allene	1A1	D2d
354	CH3CCH	propyne	1A'	C3v
355	C3H5	Allyl radical	2A2	C2v
356	C3H6	Cyclopropane	1A1'	D3h
357	CH2CHCH3	Propene	1A'	Cs
358	C3H7	n-Propyl radical	2A"	C1
359	CH3CHCH3	Isopropyl radical	2A	C2
360	CH3CHCH3+	Isopropyl cation	1A	C2
361	C3H8	Propane	1A1	C2v
362	Si3H8	trisilane
363	LiCN	lithium cyanide	1Σ	C*V LiCN
364	KCN	Potassium cyanide	1Σ	C∞v
365	KCN	Potassium cyanide	1Σ	C∞v
366	KCN	Potassium cyanide	1A'	Cs
367	ZnCN	Zinc monocyanide	2Σ	C∞v
368	ZnNC	Zinc isocyanide	2Σ	C∞v
369	AlCN	Aluminum monocyanide
370	AlNC	Aluminum isocyanide
371	CNN	Diazocarbene
372	N3	azide radical	2Πg	D∞h
373	HN3	hydrogen azide	1A'	Cs
374	HN3+	Hydrazoic acid cation
375	HNCNH	diiminomethane	1A	C2
376	HNNNH+	1,2-Triazadienium
377	NH2NN+	hydrazoic acid, protonated
378	CH3CN	Acetonitrile	1A1	C3v
379	CH3CN-	acetonitrile anion	2E	C3v
380	CH3CN-	acetonitrile anion	2A'	Cs
381	CHNCH2	2H-Azirine
382	CHNHCH	1H-Azirine
383	H2CCNH	Ethenimine
384	H2CNCH	methyleneaminomethylene
385	HCCNH2	Ethynamine
386	HCNCH2+	2H-Azirine cation
387	NH2CNH+	cyanamide, cn protonated
388	NH3CN+	cyanamide, amine protonated
389	C2H6N+	aziridine, protonated	1A1	C2v
390	CH3CH2NH2	Ethylamine
391	Li2O	dilithium oxide	1Σg	D∞h
392	Na2O	disodium monoxide	1Σg	Linear
393	Na2O	disodium monoxide	1A1	C2v
394	Na2S	Sodium sulfide
395	Na2S	Sodium sulfide
396	LiO2	Lithium dioxide
397	NaO2	Sodium superoxide
398	NCO	isocyanato radical	2Π	C∞v
399	N2O	Nitrous oxide	1Σ	C∞v
400	CO2	Carbon dioxide	1Σg	D∞h
401	OCS	Carbonyl sulfide	1Σ	C∞v
402	CS2	Carbon disulfide	1Σg	D∞h
403	GeO2	Germanium dioxide	1Σg	D∞h
404	OCSe	Carbonyl selenide	1Σ	C∞v
405	SCSe	Carbon sulfide selenide
406	NSO	sulfinyl amidogen
407	SNO	Nitrogen oxide sulfide
408	SO2	Sulfur dioxide	1A1	C2v
409	SSO	Disulfur monoxide	1A'	Cs
410	S3	Sulfur trimer	1A1	C2v
411	S3	Sulfur trimer
412	SeO2	Selenium dioxide	1A1	C2v
413	HCCO	ketenyl radical	2Π	C∞v
414	HCCO	ketenyl radical	2A"	Cs
415	HCNO	fulminic acid	1Σ	C∞v
416	HNCS	Isothiocyanic acid
417	HSCN	thiocyanic acid	1A'	Cs
418	HOCO	Hydrocarboxyl radical	1A'	cis
419	HOCO	Hydrocarboxyl radical	1A'	trans
420	O3H+	protonated ozone	1A'	Cs
421	O3H+	protonated ozone
422	C2H2O	Oxirene	1A1	C2v
423	CH2CO	Ketene	1A1	C2v
424	CH2CS	Thioketene
425	Be(OH)2	Beryllium hydroxide
426	Be(OH)2	Beryllium hydroxide
427	H2COO	Dioxymethyl radical	2A'	Cs
428	H2COO+	dioxymethyl cation	2A'	Cs
429	HCOOH	Formic acid	1A'	Cs
430	HCOOH	Formic acid
431	BH3CO	Borane carbonyl	1A1	C3v
432	CH2COH+	ketene, protonated
433	HOCHNH	hydroxymethylimine	1A'	CS H all up
434	CHSNH2	thioformamide
435	NHCHSH	Methanimidothioic acid
436	C2H4O	Ethylene oxide	1A1	C2v
437	C2H4O+	ethylene oxide cation
438	CH3CHO	Acetaldehyde	1A'	Cs
439	CH3CHO+	acetaldehyde cation
440	H2COCH2+	Methyl, (methyleneoxoniumyl)-
441	C2H4S	Thiirane	1A1	C2v
442	CH2CHSH	Ethenethiol
443	CH3CHS	Thioacetaldehyde	1A'	C1
444	NH2CHOH+	Formamide, O-protonated
445	CH3SSH	Hydrogen methyl disulfide
446	HSCH2SH	Methanedithiol
447	C2H4OH+	ethylene oxide, protonated	1A'	Cs
448	NH2CH2OH	aminomethanol
449	CH3CH2SH	ethanethiol	1A'	Cs
450	CH3CH2SH	ethanethiol	1A	C1
451	CH3SCH3	Dimethyl sulfide	1A1	C2v
452	CH3SCH3+	dimethyl sulfide cation
453	CNF	iso cyanogen fluoride	1Σ	C∞v
454	BrCN	Cyanogen bromide	1Σ	C∞v
455	FBO	Boron monofluoride monoxide
456	BeBr2	Beryllium bromide
457	CaBr2	Calcium dibromide
458	BF2	Boron difluoride radical	2A1	C2v
459	FNO	Nitrosyl fluoride	1A'	Cs
460	ClNO	Nitrosyl chloride	1A'	Cs
461	FSN	Thiazyl fluoride	1A'	Cs
462	OPCl	Phosphorus oxychloride
463	CF2	Difluoromethylene	1A1	D∞h
464	CFCl	chlorofluoromethylene	1A'	Cs
465	SiF2	Silicon difluoride	1A1	C2v
466	GeCl2	Germanium dichloride	1A1	C2v
467	CBr2	dibromomethylene	1A1	C2v
468	CBr2	dibromomethylene	3B1	C2v
469	FOO+	Fluorine dioxide cation
470	OClO	Chlorine dioxide	2B1	D∞h
471	OClO-	Chlorine dioxide anion	1A'	Cs
472	BrOO	Bromine dioxide
473	OBrO	Bromine dioxide radical	2B1	C2v
474	PF2	Phosphorus difluoride
475	PF2+	Phosphorus difluoride cation
476	FClO	chlorosyl fluoride	1A'	Cs
477	ClOF	Chlorine hypofluorite	1A'	Cs
478	SF2	sulfur difluoride	1A1	C2v
479	SeF2	Selenium difluoride
480	SeCl2	Selenium Dichloride
481	SBr2	Sulfur dibromide
482	SeBr2	Selenium dibromide
483	Br3-	tribromide anion
484	SFCl	Sulfur chloride fluoride
485	HCCF	Fluoroacetylene	1Σ	C∞v
486	HCCBr	bromoacetylene	1Σ	C∞v
487	CHF2	difluoromethyl radical	2A	Cs
488	CHF2+	difluoromethyl cation
489	CHFCl	Chlorofluoromethyl radical
490	CHFCl+	Chlorofluoromethyl cation
491	CHCl2+	dichloromethyl cation
492	CHBr2	dibromomethyl radical
493	NHF2	difluoramine
494	NHCl2	dichloroamine
495	CH2F2	Methane, difluoro-	1A1	C2v
496	SiH2F2	difluorosilane
497	CH2Cl2	Methylene chloride	1A1	C2v
498	CH2BrCl	Methane, bromochloro-	1A'	Cs
499	CH2Br2	dibromomethane	1A1	C2v
500	CH3MgBr	Methyl Magnesium Bromide
501	CH2CHF	Ethene, fluoro-	1A'	Cs
502	CH2FOH	fluoromethanol
503	CH2CH2Cl	2-chloroethyl radical	2A'	Cs
504	CHClCH3	1-chloroethyl radical	2A	C1
505	C2H5Br	Ethyl bromide	1A'	Cs
506	C4	Carbon tetramer	3Σg	D∞h
507	C4	Carbon tetramer
508	C4H2+	diacetlyene cation	2Πg	D∞h
509	C4H4	Tetrahedrane
510	CH2CHCH2CH3	1-Butene	1A	C1
511	CH3CH2CH2CH3	Butane	1Ag	Anti
512	As4	Arsenic tetramer	1A1	Td
513	HCCCN+	Cyanoacetylene cation	2Π	C∞v
514	H2CNCN	cyanamide, methylene
515	HNCCNH	Ethenediimine
516	C2H5CN	ethyl cyanide	1A'	Cs
517	H2NCHCHNH2	diaminoethylene
518	CH7N3	triaminomethane
519	NH2CH2CH2CH3	1-Propanamine	1A'	Cs
520	N(SiH3)3	trisilylamine
521	K2O2	dipotassium dioxide
522	ONNO	NO dimer	1Ag	trans C2H
523	ONNO	NO dimer	1A1	cis C2V
524	S2N2	Disulfur dinitride	1AG	D2h
525	CS3--	Carbonotrithioate
526	SO3	Sulfur trioxide	1A1'	D3h
527	SO3--	Sulfate dianion
528	S4	Sulfur tetramer
529	S4	Sulfur tetramer
530	S4	Sulfur tetramer
531	HNO3	Nitric acid	1A'	Cs
532	C3H2O	Propadienal
533	C3H2O	Propadienal
534	C2H2O2	Ethanedial	1Ag	C2h
535	CH3NCO	methylisocyante
536	HOCH2CN	cyanomethanol
537	CH3NO2	Methane, nitro-	1A'	Cs
538	H3AlO3	Aluminum hydroxide
539	CH2CHCHO	Acrolein	1A'	Cs
540	CH2CHCHO	Acrolein
541	CH2C(OH)NH2	1-amino vinyl alchohol
542	CH3C(OH)=NH	Ethaninidic acid
543	CH3CSNH2	Ethanethioamide
544	C3H6O	Acetone enol	1A'	Cs
545	CH3CH2CHO	Propanal	1A'	Cs
546	C3H7OH	1-Propanol
547	Li2F2	Lithium fluoride dimer
548	CF2O	Carbonic difluoride	1A1	C2v
549	CF2O+	Carbonic difluoride cation
550	BF3	Borane, trifluoro-	1A'	D3h
551	BF3+	boron trifluoride cation
552	AlF3	Aluminum trifluoride	1A1'	D3h
553	BClF2	Chlorodifluoroborane
554	BCl3	Borane, trichloro-	1A1'	D3h
555	BCl3+	Boron Trichloride cation
556	GaF3	Gallium trifluoride	1A1'	D3h
557	GaCl3	Gallium trichloride	1A1'	D3h
558	CF2Cl	difluorochloromethyl radical
559	CFCl2	dichlorofluoromethyl radical
560	CBr3	tribromomethyl radical
561	ClO2F	Chloryl fluoride	1A'	Cs
562	SSCl2	Thiothionyl chloride
563	NF3	Nitrogen trifluoride	1A1	C3v
564	NCl3	nitrogen trichloride	1A1	C3v
565	NBr3	Nitrogen Tribromide	1A1	C3v
566	HClO3	Chloric Acid	1A'	Cs
567	HClO3	Chloric Acid	1A	C1
568	CHF3	Methane, trifluoro-	1A1	C3v
569	SiHF3	trifluorosilane
570	CHBrF2	Methane, bromodifluoro-	1A'	Cs
571	CHBrCl2	Methane, bromodichloro-	1A'	Cs
572	CHBr2F	dibromofluoromethane
573	AsF3H+	Arsenic trifluoride, protonated
574	C2H2ClF	1-chloro-1-fluoroethylene	1A'	Cs
575	CHFCHCl	(E)-1-chloro-2-fluoroethene	1A'	Cs
576	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	1A'	Cs
577	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
578	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
579	C2H4F2	1,2-difluoroethane	1Ag	C2H anti
580	C2H4F2	1,2-difluoroethane	1A	C2 gauche
581	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
582	CH2BrCH2Cl	1-bromo-2-chloroethane
583	CH2BrCH2Br	Ethane, 1,2-dibromo-	1Ag	C2h
584	CH2BrCH2Br	Ethane, 1,2-dibromo-	1A	C2
585	CH2CHCH2F	Allyl Fluoride
586	CH2CHCH2F	Allyl Fluoride
587	CH3CHCHF	trans-1-Fluoro-1-propene
588	CH2FCH2OH	2-fluoroethanol
589	CH2FCH2CH3	1-Fluoropropane	1A'	Cs
590	CH2FCH2CH3	1-Fluoropropane
591	CH3CHFCH3	2-Fluoropropane	1A'	Cs
592	B5H9	pentaborane9
593	C5H4	pentatetraene
594	C5H6	Propellane	1A1	D3h
595	C5H8	Bicyclo[1.1.1]pentane
596	C3H4N2	2H-Imidazole	1A1	C2v
597	C4H5N	Pyrrole	1A1	C2v
598	C3O2	Carbon suboxide	1ΣG	D∞h
599	B2O3	diboron trioxide
600	B2O3	diboron trioxide
601	CHOOCHO	diformyl ether
602	C3H3NO	Isoxazole	1A'	Cs
603	C3H3NS	Thiazole
604	CH3COCCH	3-butyn-2-one	1A'	Cs
605	C4H4Se	selenophene
606	HCOOC2H5	Ethyl formate	1A'	Cs
607	C2H6O2S	Dimethyl sulfone	1A1	C2v
608	C4H8S	Thiophene, tetrahydro-	1A	C1
609	C4H10O	Methyl propyl ether	1A	C1
610	C(CH3)3SH	2-Propanethiol, 2-methyl-	1A'	Cs
611	C4H9SH	1-Butanethiol
612	CF3Cl	Methane, chlorotrifluoro-	1A1	C3v
613	CF2Cl2	difluorodichloromethane	1A1	C2v
614	CF3Br	Bromotrifluoromethane	1A1	C3v
615	GeF4	Germanium tetrafluoride	1A1	Td
616	CBrCl2F	bromodichlorofluoromethane
617	CBr2ClF	dibromochlorofluoromethane
618	CBr2Cl2	dibromodichloromethane	1A1	C2v
619	CBr3Cl	tribromochloromethane	1A1	C3v
620	SF4	Sulfur tetrafluoride	1A1	C2v
621	SeF4	Selenium tetrafluoride
622	SCl4	Sulfur tetrachloride
623	CH2ClCCCl	1,3-dichloropropyne
624	CHCl2CCH	3,3-dichloropropyne
625	CHCl2CHO	dichloroacetaldehyde
626	CHF2CH2F	Ethane, 1,1,2-trifluoro	1A	C1
627	CH2CClCHCH2	1,3-Butadiene, 2-chloro-
628	CH2FCH2CH2F	1,3-difluoropropane
629	C2H2N2O	Furazan
630	C6H6	Prismane
631	C6H6	1,2,4,5-Hexatetraene	1Ag	C2h
632	C6H6	Dewar Benzene
633	N3P3	1,3,5,2,4,6-Triazatriphosphorine
634	N2O4	Dinitrogen tetroxide	1Ag	D2d
635	C5H6O	2H-Pyran
636	C5H6O	Pentadienal
637	C4H6O2	γ–Butyrolactone	1A	C1
638	C3H6O3	1,3,5-Trioxane	1A1	C1
639	C5H10O	3-Pentanone	1A1	C2v
640	C4F2	difluorobutadiyne
641	C2ClF3	Ethene, chlorotrifluoro-
642	C2Br4	tetrabromoethene
643	SiF5-	silicon pentafluoride anion
644	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
645	CH2BrCBr3	1,1,1,2-tetrabromo ethane
646	C7H7	cycloheptatrienyl radical	2A2	C2v
647	C7H7+	cycloheptatrienyl cation	1A1'	D7h
648	CH(CN)3	tricyanomethane
649	F2CCCF2	tetrafluoroallene
650	SF6	Sulfur Hexafluoride	1A1G	Oh
651	S4N4	Tetrasulfur tetranitride
652	C6H4Cl2	1,4-dichlorobenzene
653	C6H5NO	nitrosobenzene	1A'	Cs
654	C3F6	hexafluoropropene
655	C8H18O	1-Octanol

Species NOT done yet

count	Species	Name	file name	problem
1	D	Deuterium atom	d
2	D-	Deuterium atom anion	d-
3	D+	Deuterium atom cation	d+
4	H-	Hydrogen atom anion	h-
5	H+	Hydrogen atom cation	h+
6	D2	Deuterium diatomic	d2
7	H2-	hydrogen diatomic anion	h2-
8	H2+	Hydrogen cation	h2+
9	HD	Deuterium hydride	hd
10	H3+	hydrogen trimer cation	h3+
11	He-	Helium atom anion	he-
12	HeH	Helium hydride	heh
13	Li-	Lithium atom anion	li-
14	Li+	Lithium atom cation	li+
15	Na-	Sodium atom anion	na-
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	LiH-	lithium hydride anion	lih-
22	LiH+	lithium hydride cation	lih+
23	NaH	sodium hydride	nah
24	NaH-	sodium hydride anion	nah-
25	NaH+	sodium hydride cation	nah+
26	KH+	Potassium hydrogen cation	kh+
27	Be-	Beryllium atom anion	be-
28	Mg-	Magnesium atom anion	mg-
29	Ca	Calcium atom	ca
30	Ca-	Calcium atom anion	ca-
31	Ca+	Calcium atom cation	ca+
32	Zn	Zinc atom	zn
33	Zn-	Zinc atom anion	zn-
34	Zn+	Zinc atom cation	zn+
35	BeH	beryllium monohydride	beh
36	BeH-	berylium monohydride anion	beh-
37	BeH+	beryllium monohydride cation	beh+
38	MgH-	magnesium monohydride anion	mgh-
39	MgH+	magnesium monohydride cation	mgh+
40	CaH	Calcium monohydride	cah
41	CaH+	Calcium monohydride cation	cah+
42	TiH	Titanium monohydride	tih
43	ZnH	Zinc monohydride	znh
44	BeH2	beryllium dihydride	beh2
45	MgH2	magnesium dihydride	mgh2
46	CaH2	Calcium Hydride	cah2
47	ZnH2	Zinc hydride	znh2
48	B-	Boron atom anion	b-
49	Sc	Scandium atom	sc
50	Sc+	Scandium cation	sc+
51	BH	Boron monohydride	bh
52	BH-	boron monohydride anion	bh-
53	BH+	boron monohydride cation	bh+
54	AlH	aluminum monohydride	alh
55	AlH-	aluminum monohydride anion	alh-
56	AlH+	aluminum monohydride cation	alh+
57	ScH	Scandium monohydride	sch
58	ScH+	Scandium monohydride cation	sch+
59	BH2	boron dihydride	bh2
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	bh3
66	BH3-	boron trihydride anion	bh3-
67	AlH3	aluminum trihydride	alh3
68	AlH3+	aluminum trihydride cation	alh3+
69	ScH3	Scandium trihydride	sch3
70	GaH3	Gallium trihydride	gah3
71	BH4	borohydride	bh4
72	AlH4-	Aluminum tetrahydride anion	alh4-
73	C-	Carbon atom anion	c-
74	Ti	Titanium atom	ti
75	Ti-	Titanium atom anion	ti-
76	Ti+	Titanium atom cation	ti+
77	Sn	Tin atom	sn
78	Sn+	Tin cation	sn+
79	CH-	methylidyne anion	ch-
80	CH+	Methylidyne cation	ch+
81	SiH-	silicon monohydride anion	sih-
82	SiH+	silicon monohydride cation	sih+
83	GeH+	Germaniun monohyrdide cation	geh+
84	CH2	Methylene	ch2
85	CH2+	methylene cation	ch2+
86	SiH2	silicon dihydride	sih2
87	SiH2-	silicon dihydride anion	sih2-
88	SiH2+	silicon dihydride cation	sih2+
89	GeH2-	germylene anion	geh2-
90	CH3	Methyl radical	ch3
91	CH3-	methyl anion	ch3-
92	CH3+	methyl cation	ch3+
93	SiH3-	Silyl anion	sih3-
94	CD4	methane-d4	cd4
95	CH2D2	methane-d2	ch2d2
96	CH3D	methane-d	ch3d
97	CH4-	Methane anion	ch4-
98	CH4+	Methane cation	ch4+
99	CHD3	methane-d3	chd3
100	SiH4	Silane	sih4
101	SiH4+	Silane cation	sih4+
102	SnH4	Stannane	snh4
103	N-	Nitrogen atom anion	n-
104	P-	Phosphorus atom anion	p-
105	P+	Phosphorus atom cation	p+
106	V	Vanadium atom	v
107	Sb	Antimony atom	sb
108	NH	Imidogen	nh
109	NH-	Imidogen anion	nh-
110	NH+	imidogen cation	nh+
111	PH-	phosphorus monohydride anion	ph-
112	PH+	phosphorus monohydride cation	ph+
113	AsH+	Arsenic monohydride cation	ash+
114	SbH	Antimony monohydride	sbh
115	ND2	Amidogen-d2	nd2
116	NH2-	amino anion	nh2-
117	PH2	Phosphino radical	ph2
118	PH2-	Phosphino anion	ph2-
119	PH2+	Phosphino cation	ph2+
120	AsH2	Arsenic dihydride	ash2
121	AsH2+	Arsenic dihydride cation	ash2+
122	ND3	Ammonia-d3	nd3
123	NH3-	Ammonia anion	nh3-
124	NH3+	ammonia cation	nh3+
125	SbH3	Stibine	sbh3
126	NH4+	ammonium cation	nh4+
127	PH4+	phosphonium cation	ph4+
128	O-	Oxygen atom anion	o-
129	S-	Sulfur atom anion	s-
130	S+	Sulfur atom cation	s+
131	Cr	Chromium atom	cr
132	Te	Tellurium atom	te
133	Te+	Tellurium atom cation	te+
134	DO	Hydroxyl-d	od
135	OH-	hydroxide anion	oh-
136	DS	Mercapto-d	ds
137	HS	Mercapto radical	hs
138	CrH	Chromium hydride	crh
139	TeH	Telluryl radical	teh
140	D2O	Deuterium oxide	d2o
141	D2S	Hydrogen sulfide-d2	d2s
142	H2S	Hydrogen sulfide	h2s
143	H2S-	Hydrogen sulfide anion	h2s-
144	H2Te	Hydrogen Telluride	h2te
145	H3O+	hydronium cation	h3o+
146	F-	Fluorine atom anion	f-
147	Cl-	Chlorine atom anion	cl-
148	Mn	Manganese atom	mn
149	I	Iodine atom	iodine
150	I-	Iodine atom anion	iodine-
151	I+	Iodine atom cation	iodine+
152	DF	Hydrofluoric acid-d	df
153	DCl	Hydrochloric acid-d	dcl
154	HI	Hydrogen iodide	hi
155	HI+	Hydrogen iodide cation	hi+
156	H2F+	dihydrogen fluoride cation	h2f+
157	H2I+	Iodonium	h2i+
158	Ne-	Neon atom anion	ne-
159	Ar-	Argon atom anion	ar-
160	Ar+	Argon atom cation	ar+
161	Fe	Iron atom	fe
162	Xe	Xenon atom	xe
163	NeH	neon hydrogen	neh
164	NeH+	neon hydrogen cation	neh+
165	XeH+	Xenon, protonated	xeh+
166	H2Ar	H2 Ar dimer	h2ar
167	Co	Cobalt atom	cobalt
168	Ni	Nickel atom	ni
169	Li2	Lithium diatomic	li2
170	Li2-	lithium diatomic anion	li2-
171	Li2+	lithium diatomic cation	li2+
172	NaLi-	lithium sodium anion	lina-
173	NaLi+	lithium sodium cation	lina+
174	LiK	Lithium Potassium	lik
175	Na2+	sodium diatomic cation	na2+
176	NaK	Sodium Potassium	nak
177	NaK+	Sodium Potassium diatomic cation	nak+
178	K2	Potassium diatomic	k2
179	Cu2	Copper diatomic	cu2
180	LiBe	Lithium Beryllium	libe
181	LiMg	Lithium magnesium	limg
182	NaBe	Sodium Beryllium	nabe
183	NaMg	Sodium Magnesium	namg
184	Be2	Beryllium diatomic	be2
185	Be2-	Beryllium diatomic anion	be2-
186	Be2+	Beryllium diatomic cation	be2+
187	BeMg	Beryllium Magnesium	bemg
188	Mg2	Magnesium diatomic	mg2
189	Mg2-	magnesium diatomic anion	mg2-
190	Mg2+	magnesium diatomic cation	mg2+
191	Ca2	Calcium diatomic	ca2
192	LiB	Lithium boride	lib
193	NaAl	Sodium aluminum	naal
194	BeB	Beryllium monoboride	beb
195	B2	Boron diatomic	b2
196	B2-	Boron diatomic anion	b2-
197	B2+	Boron diatomic cation	b2+
198	BAl	Boron Aluminum	bal
199	Al2	Aluminum diatomic	al2
200	Al2-	aluminum diatomic anion	al2-
201	Al2+	aluminum diatomic cation	al2+
202	BGa	Boron Gallium	bga
203	AlGa	Aluminum Gallium	alga
204	Ga2	Gallium diatomic	ga2
205	LiBH4	Lithium borohydride	libh4
206	HBHHBH	Diborane(4) C2V	hbhhbh
207	Al2H6	dialane	al2h6
208	Ga2H6	digallane	ga2h6
209	LiC	Lithium Carbide	lic
210	BeC	Beryllium Carbide	bec
211	BC	boron monocarbide	bc
212	BC-	boron monocarbide anion	bc-
213	BC+	boron monocarbide cation	bc+
214	AlC	Aluminum carbide	alc
215	C2	Carbon diatomic	c2
216	C2-	carbon diatomic anion	c2-
217	C2+	carbon diatomic cation	c2+
218	SiC	silicon monocarbide	sic
219	SiC-	silicon monocarbide anion	sic-
220	SiC+	silicon monocarbide cation	sic+
221	Si2	Silicon diatomic	si2
222	Si2-	silcon diatomic anion	si2-
223	Si2+	silcon diatomic cation	si2+
224	Ge2	Germanium diatomic	ge2
225	C2H	Ethynyl radical	c2h
226	C2H+	Ethynyl cation	c2h+
227	ZnCH2	Zinc methylene	znch2
228	CCH2	vinylidene	vinylidene
229	CuCH3	monomethyl copper	cuch3
230	ZnCH3	Zinc monomethyl	znch3
231	CH2BH	methyleneborane	ch2bh
232	C2H3-	vinyl anion	c2h3-
233	C2H4-	Ethylene anion	c2h4-
234	CH3CH	methylmethylene	ch3ch
235	CH2SiH2	silaethylene	ch2sih2
236	CH3BH2	methylborane	ch3bh2
237	C2H5-	Ethyl anion	c2h5-
238	C2H5+	Ethyl cation	c2h5+
239	C2H6+	ethane cation	c2h6+
240	CH3SiH3	methyl silane	ch3sih3
241	GeH3CH3	methyl germane	geh3ch3
242	C2H7+	Ethane, protonated	c2h7+
243	LiN+	Lithium Nitride cation	lin+
244	BeN	Beryllium mononitride	ben
245	BeN-	Beryllium mononitride anion	ben-
246	BeN+	Beryllium mononitride cation	ben+
247	BN-	boron nitride anion	bn-
248	AlN-	aluminum mononitride anion	aln-
249	AlN+	aluminum mononitride cation	aln+
250	BP	Boron monophosphide	bp
251	AlP	Aluminum monophosphide	alp
252	GaN	Gallium mononitride	gan
253	GaP	Gallium monophosphide	gap
254	BN	boron nitride	bn
255	BN+	boron nitride cation	bn+
256	AlN	Aluminum nitride	aln
257	CN-	cyanide anion	cn-
258	CN+	Cyano cation	cn+
259	CP	Carbon monophosphide	cp
260	CP-	carbon monophosphide anion	cp-
261	CP+	carbon monophosphide cation	cp+
262	SiN	Silicon nitride	sin
263	SiN-	silicon mononitride anion	sin-
264	SiN+	silicon mononitride cation	sin+
265	SiP-	Silicon monophosphide anion	sip-
266	SiP+	Silicon monophosphide cation	sip+
267	TiN	Titanium mononitride	tin
268	N2-	nitrogen diatomic anion	n2-
269	N2+	diatomic nitrogen cation	n2+
270	PN-	phosphorus nitride anion	pn-
271	PN+	phosphorus nitride cation	pn+
272	P2	Phosphorus diatomic	p2
273	P2-	phosphorus diatomic anion	p2-
274	P2+	phosphorus diatomic cation	p2+
275	AsN	Arsenic mononitride	asn
276	AsP	Arsenic monophosphide	asp
277	SbN	Antimony nitride	sbn
278	As2	Arsenic diatomic	as2
279	HNB	hydrogen nitrogen boron	hnb
280	HNC	hydrogen isocyanide	hnc
281	HCN-	Hydrogen cyanide anion	hcn-
282	HCP	Phosphaethyne	hcp
283	NNH	Dinitrogen monohydride	nnh
284	HPO	Hydrogen phosphorus oxide	hpo
285	HPO+	Hydrogen phosphorus oxide cation	hpo+
286	CNH2	Aminomethylidyne radical	cnh2
287	CNH2+	N-protonated hydrogen isocyanide	cnh2+
288	H2CN	Dihydrogen cyanide radical	h2cn
289	H2CN+	hydrocyanonium cation	h2cn+
290	HCNH	methyleneazane	hcnh
291	HCNH+	N-protonated HCN	hcnh+
292	N2H2	(E)-diazene	n2h2
293	N2H2	(Z)-Diazene	n2h2z
294	CH2PH	Phosphaethene	ch3p
295	CH2NH2+	methyleneamine cation	ch2nh2+
296	N2H4+	hydrazine cation	n2h4+
297	P2H4	Diphosphine	p2h4
298	CH3NH2+	methyl amine cation	ch3nh2+
299	CH3PH2	Methyl phosphine	ch3ph2
300	N2H5+	protonated hydrazine	n2h5+
301	BH3NH3	borane ammonia	bh3nh3
302	CH3NH3+	protonated methylamine	ch3nh3+
303	CH3PH3+	methyl phosphine, protonated	ch3ph3+
304	NH3NH3	Ammonia Dimer	nh3nh3
305	LiO	lithium oxide	lio
306	LiO-	lithium oxide anion	lio-
307	LiO+	lithium oxide cation	lio+
308	LiS	Lithium monosulfide	lis
309	LiS+	Lithium sulfide cation	lis+
310	NaO	sodium monoxide	nao
311	NaO-	sodium oxide anion	nao-
312	NaO+	sodium oxide cation	nao+
313	KO	Potassium monoxide	ko
314	KO+	Potassium monoxide cation	ko+
315	NaS	Sodium sulfide	nas
316	CuO	Copper Monoxide	cuo
317	BeO	beryllium oxide	beo
318	BeO-	Beryllium monoxide anion	beo-
319	BeO+	Beryllium monoxide cation	beo+
320	BeS	beryllium sulfide	bes
321	MgO	magnesium oxide	mgo
322	MgO-	magnesium oxide anion	mgo-
323	MgO+	magnesium oxide cation	mgo+
324	MgS	magnesium sulfide	mgs
325	MgS-	magnesium sulfide anion	mgs-
326	MgS+	magnesium sulfide cation	mgs+
327	ZnO	zinc monoxide	zno
328	ZnS	Zinc sulfide	zns
329	BeS-	Beryllium monosulfide anion	bes-
330	BeS+	Beryllium monosulfide cation	bes+
331	BO-	boron monoxide anion	bo-
332	AlO	Aluminum monoxide	alo
333	AlO-	Aluminum monoxide anion	alo-
334	AlO+	aluminum monoxide cation	alo+
335	BS	boron sulfide	bs
336	BS-	boron monosulfide anion	bs-
337	BS+	boron monosulfide cation	bs+
338	AlS	Aluminum sulfide	als
339	AlS-	aluminum monosulfide anion	als-
340	AlS+	aluminum monosulfide cation	als+
341	ScO	Scandium monoxide	sco
342	BO+	boron monoxide cation	bo+
343	CS	carbon monosulfide	cs
344	CS-	carbon monosulfide anion	cs-
345	CS+	carbon monosulfide cation	cs+
346	SiO-	silicon monoxide anion	sio-
347	SiO+	silicon monoxide cation	sio+
348	SiS-	silicon monosulfide anion	sis-
349	SiS+	silicon monosulfide cation	sis+
350	TiO	Titanium monoxide	tio
351	CSe-	Carbon monoselenide anion	cse-
352	CSe+	Carbon monoselenide cation	cse+
353	GeO+	Germanium monoxide cation	geo+
354	GeS	Germanium monosulfide	ges
355	NS	Mononitrogen monosulfide	ns
356	NS-	nitrogen sulfide anion	ns-
357	NS+	nitrogen sulfide cation	ns+
358	PO-	phosphorus monoxide anion	po-
359	PO+	phosphorus monoxide cation	po+
360	PS	phosphorus sulfide	ps
361	PS-	phosphorus monosulfide anion	ps-
362	PS+	phosphorus monosulfide cation	ps+
363	VO	Vanadium monoxide	vo
364	AsO	Arsenic monoxide	aso
365	O2-	oxygen diatomic anion	o2-
366	O2+	diatomic oxygen cation	o2+
367	SO-	sulfur monoxide anion	so-
368	S2-	sulfur diatomic anion	s2-
369	S2+	sulfur diatomic cation	s2+
370	SeO-	selenium monoxide anion	seo-
371	SeO+	selenium monoxide cation	seo+
372	SeS	Selenium monosulfide	ses
373	SeS-	selenium monosulfide anion	ses-
374	SeS+	selenium monosulfide cation	ses+
375	TeO	Tellurium monoxide	teo
376	Se2-	selenium diatomic anion	se2-
377	Se2+	selenium diatomic cation	se2+
378	Te2	Tellurium diatomic	te2
379	NaOH	sodium hydroxide	naoh
380	MgOH	magnesium hydroxide	mgoh
381	CaOH	Calcium monohydroxide	caoh
382	COH+	Carbon Monoxide, protonated	coh+
383	HCS	Thioformyl radical	hcs
384	HCS-	Thioformyl anion	hcs-
385	HCS+	Thioformyl cation	hcs+
386	HNO-	Nitrosyl hydride anion	hno-
387	NOH	Hydroxyimidogen	noh
388	NOH+	O-protonated nitric oxide	noh+
389	HNS	Sulfur imide	hns
390	HNS-	Sulfur imide anion	hns-
391	HO2	Hydroperoxy radical	ho2
392	HO2-	Hydroperoxy anion	ho2-
393	HO2+	Hydroperoxy cation	ho2+
394	HS2	Thiosulfeno radical	hs2
395	HOCH	hydroxycarbene	hoch
396	H2CS+	thioformaldehyde cation	h2cs+
397	H2NO	nitroxide	h2no
398	H2O2+	Hydrogen peroxide cation	h2o2+
399	H2S2	Disulfane	h2s2
400	H2S2+	hydrogen disulfide cation	h2s2+
401	CH2OH	Hydroxymethyl radical	ch2oh
402	CH3O	Methoxy radical	ch3o
403	CH3O+	Methoxy cation	ch3o+
404	CH3S	thiomethoxy	ch3s
405	H2CSH+	Thioformaldehyde, protonated	h2csh+
406	NH3O	Ammonia Oxide	nh3o
407	H2POH	Phosphinous acid	h2poh
408	H3PO	Phosphine oxide	h3po
409	H3O2+	hydrogen peroxide, protonated	h3o2+
410	CH3OH-	Methyl alcohol anion	ch3oh-
411	CH3SH	Methanethiol	ch3sh
412	CH3SH+	Methanethiol cation	ch3sh+
413	CH3SeH	Methane selenol	ch3seh
414	H2OH2O	water dimer	h2oh2o
415	CH3OH2+	Methanol, protonated	ch3oh2+
416	CH3SH2+	protonated methylsulfide	ch3sh2+
417	H2ONH3	Water Ammonia Dimer	h2onh3
418	LiCl-	lithium chloride anion	licl-
419	LiCl+	lithium chloride cation	licl+
420	NaF	sodium fluoride	naf
421	NaF-	sodium fluoride anion	naf-
422	KF	Potassium Fluoride	kf
423	NaCl	Sodium Chloride	nacl
424	NaCl-	sodium chloride anion	nacl-
425	NaCl+	sodium chloride cation	nacl+
426	KCl	Potassium Chloride	kcl
427	CuF	Copper monofluoride	cuf
428	LiBr-	lithium bromide anion	libr-
429	LiBr+	lithium bromide cation	libr+
430	CuCl	Copper monochloride	cucl
431	NaBr	Sodium Bromide	nabr
432	NaBr-	sodium bromide anion	nabr-
433	NaBr+	sodium bromide cation	nabr+
434	KBr	Potassium Bromide	kbr
435	LiI	Lithium Iodide	lii
436	NaI	Sodium Iodide	nai
437	KI	Potassium Iodide	ki
438	LiF-	lithium fluoride anion	lif-
439	BeF	Beryllium monofluoride	bef
440	BeF-	Beryllium monofluoride anion	bef-
441	BeF+	Beryllium monofluoride cation	bef+
442	BeCl	beryllium monochloride	becl
443	MgF	Magnesium monofluoride	mgf
444	MgF-	magnesium fluoride anion	mgf-
445	MgF+	magnesium fluoride cation	mgf+
446	CaF	Calcium monofluoride	caf
447	MgCl	magnesium monochloride	mgcl
448	MgCl-	magnesium monochloride anion	mgcl-
449	MgCl+	magnesium monochloride cation	mgcl+
450	CaCl	calcium monochloride	cacl
451	TiCl	Titanium Monochloride	ticl
452	ZnF	Zinc monofluoride	znf
453	ZnF-	Zinc monofluoride anion	znf-
454	ZnF+	Zinc monofluoride cation	znf+
455	ZnCl	Zinc monochloride	zncl
456	BeCl-	beryllium monochloride anion	becl-
457	BeCl+	beryllium monochloride cation	becl+
458	BF-	Boron monofluoride anion	bf-
459	BF+	Boron monofluoride cation	bf+
460	AlF-	Aluminum monofluoride anion	alf-
461	AlF+	Aluminum monofluoride cation	alf+
462	BCl	boron monochloride	bcl
463	BCl-	boron monochloride anion	bcl-
464	BCl+	boron monochloride cation	bcl+
465	AlCl	Aluminum monochloride	alcl
466	AlCl-	aluminum monochloride anion	alcl-
467	AlCl+	aluminum monochloride cation	alcl+
468	ScF	Scandium monofluoride	scf
469	BBr	Boron monobromide	bbr
470	GaF+	Gallium monofluoride cation	gaf+
471	GaCl+	Gallium monochloride cation	gacl+
472	AlI	Aluminum monoiodide	ali
473	CF-	carbon monofluoride anion	cf-
474	CF+	carbon monofluoride cation	cf+
475	CCl	carbon monochloride	ccl
476	CCl-	carbon monochloride anion	ccl-
477	CCl+	carbon monochloride cation	ccl+
478	SiF	silicon monofluoride	sif
479	SiF-	silicon monofluoride anion	sif-
480	SiF+	silicon monofluoride cation	sif+
481	SiCl-	silicon monochloride anion	sicl-
482	SiCl+	silicon monochloride cation	sicl+
483	GeF+	Germanium monofluoride cation	gef+
484	NF	nitrogen fluoride	nf
485	NF-	nitrogen monofluorine anion	nf-
486	NF+	nitrogen monofluoirde cation	nf+
487	NCl-	nitrogen monochloride anion	ncl-
488	NCl+	nitrogen monochloride cation	ncl+
489	PF	phosphorus monofluoride	pf
490	PF-	phosphorus monofluoride anion	pf-
491	PF+	phosphorus monofluoride cation	pf+
492	PCl	phosphorus chloride	pcl
493	PCl-	phosphorus monochloride anion	pcl-
494	PCl+	phosphorus monochloride cation	pcl+
495	AsF	Arsenic monofluoride	asf
496	NBr	nitrogen monobromide	nbr
497	AsCl	Arsenic monochloride	ascl
498	SbF	Antimony monofluoride	sbf
499	SbCl	Antimony monochloride	sbcl
500	FO	Oxygen monofluoride	fo
501	FO-	flourine oxide anion	fo-
502	FO+	fluorine monoxide cation	fo+
503	ClO-	chlorine monoxide anion	clo-
504	SF-	sulfur monofluoride anion	sf-
505	SCl	sulfur monochloride	scl
506	SCl-	sulfur monochloride anion	scl-
507	BrO-	Bromine monoxide anion	bro-
508	SeF	Selenium monofluoride	sef
509	SeCl	Selenium monochloride	secl
510	IO	Iodine monoxide	io
511	F2-	flourine diatomic anion	f2-
512	ClF-	clorine monofluoride anion	clf-
513	Cl2-	chlorine diatomic anion	cl2-
514	BrF-	bromine fluoride anion	brf-
515	BrF+	bromine fluoride cation	brf+
516	BrCl-	bromine chloride anion	brcl-
517	BrCl+	bromine chloride cation	brcl+
518	IF	Iodine monofluoride	if
519	ICl	Iodine monochloride	icl
520	IBr	Iodine monobromide	ibr
521	I2	Iodine diatomic	i2
522	I2+	Iodine diatomic cation	i2+
523	HCCl	Chloromethylene	hccl
524	CHBr	bromomethylene	chbr
525	DOCl	Hypochlorous acid-d	docl
526	HOBr	Hypobromous acid	hobr
527	HOBr+	Hypobromous acid cation	hobr+
528	HOI	Hypoiodous acid	hoi
529	FHF	Hydrogen difluoride	fhf
530	FHF-	Hydrogen difluoride anion	fhf-
531	NH2F	monofluoroamine	nh2f
532	H2F2	Hydrogen fluoride dimer	h2f2
533	CD3F	methylfluoride-d3	cd3f
534	CH3F	Methyl fluoride	ch3f
535	CD3Cl	methyl chloride d3	cd3cl
536	SiH3Br	bromosilane	sih3br
537	CH3I	methyl iodide	ch3i
538	SiH3I	Silyl Iodide	sih3i
539	Ne2	Neon diatomic	ne2
540	Ne2+	Neon diatomic cation	ne2+
541	Ar2+	Argon diatomic cation	ar2+
542	Li3	Lithium trimer	li3
543	Li3+	Lithium trimer cation	li3+
544	C3+	carbon trimer cation	c3+
545	C3H3	cyclopropenyl radical	cpr
546	C3H3	Propargyl radical	propargyl
547	C3H3-	Propargyl anion	c3h3-
548	C3H3+	cyclopropenyl cation	cpr+
549	C3H3+	Propargyl cation	c3h3+
550	C3H5+	Allyl cation	allyl+
551	CH3CHCH	1-propenyl radical	ch3chch
552	Zn(CH3)2	dimethyl zinc	dmz
553	C3H7+	cyclopropane, protonated	c3h7+
554	SiH2(CH3)2	dimethylsilane	dms
555	NaCN	Sodium Cyanide	nacn
556	CuCN	Copper cyanide	cucn
557	CN2	3H-Diazirin-3-ylidene	cn2
558	NCN	Cyanoimidogen	ncn
559	N3-	azide anion	n3-
560	N3+	azide cation	n3+
561	HCCN	cyanomethylene	hccn
562	HCNN	diazomethyl radical	hcnn
563	CH2N2	diazirine	ch2n2
564	CH2NN	diazomethane	ch2nn
565	NH2CN	cyanamide	cyanamide
566	CH3CN+	Acetonitrile cation	ch3cn+
567	CH3NC	methyl isocyanide	ch3nc
568	HNCNH2+	diiminomethane, protonated	hncnh2+
569	NCNH3+	Cyanamide, protonated	ncnh3+
570	CH2CHNH	vinylazine	ch2chnh
571	CH3CHN	methylmethaniminyl radical	ch3chn
572	NHCHNH2	aminomethanimine	cn2h4
573	C2H5N	Aziridine	c2h5n
574	CH2CHNH2	aminoethene	aminoethene
575	CH2NCH3	N-methylmethanimine	nmm
576	CH3CHNH	ethanimine	ethanimine
577	NH2BHNH2	diaminoborane	nh2bhnh2
578	C2H5NH+	Protonated Aziridine	c2h5nh+
579	NH2CH2NH2	diaminomethane	nh2ch2nh2
580	CH3NHCH3	Dimethylamine	ch3nhch3
581	CH3PHCH3	dimethylphosphine	ch3phch3
582	NH2CH2NH3+	diaminoethane, protonated	pdam
583	(CH3)2NH2+	dimethylammonium cation	dmam
584	CH3CH2NH3+	ethylamine, protonated	pea
585	Li2O+	dilithium oxide cation	li2o+
586	Li2S	dilithium sulfide	li2s
587	CCO	Dicarbon monoxide	cco
588	CNO-	fulminate	cno-
589	NCO-	cyanate	nco-
590	SCN	thiocyanato radical	scn
591	SCN-	thiocyanide anion	scn-
592	BO2	Boron dioxide	bo2
593	BO2-	Boron dioxide anion	bo2-
594	BO2+	Boron dioxide cation	bo2+
595	N2O-	Nitrous oxide anion	n2o-
596	N2O+	Nitrous oxide cation	n2o+
597	NNS	Nitrogen sulfide	nns
598	PPO	Phosphorus oxide phosphide	ppo
599	CO2-	Carbon dioxide anion	co2-
600	CO2+	Carbon dioxide cation	co2+
601	OCS+	Carbonyl sulfide cation	cos+
602	SiO2	silicon dioxide	sio2
603	CS2-	Carbon disulfide anion	cs2-
604	CS2+	Carbon disulfide cation	cs2+
605	TiO2	Titanium dioxide	tio2
606	SiS2	Silicon disulfide	sis2
607	GeS2	Germanium disulfide	ges2
608	CSe2	Carbon diselenide	cse2
609	SCTe	Carbon sulfide Telluride	scte
610	NO2	Nitrogen dioxide	no2
611	NO2-	Nitrogen dioxide anion	no2-
612	NO2+	Nitrogen dioxide cation	no2+
613	PO2	Phosphorus dioxide	po2
614	PO2-	Phosphorus dioxide anion	po2-
615	PO2+	Phosphorus dioxide cation	po2+
616	AsO2	Aresenic dioxide	aso2
617	O3	Ozone	o3
618	O3-	Ozone anion	o3-
619	O3+	Ozone cation	o3+
620	SO2-	Sulfur dioxide anion	so2-
621	SO2+	Sulfur dioxide cation	so2+
622	S3-	Sulfur trimer anion	s3-
623	S3+	Sulfur trimer cation	s3+
624	SeO2+	Selenium dioxide cation	seo2+
625	TeO2	Tellurium Dioxide	teo2
626	CS2H+	Carbon disulfide, protonated	cs2h+
627	HNCO	Isocyanic acid	hnco
628	HOCN	cyanic acid	hocn
629	HCO2-	formate anion	hco2-
630	HNNO	nitrosoazane	hnno
631	HNNO+	Nitrous oxide, N-protonated	hnno+
632	NNOH+	Nitrous Oxide, O-protonated	nnoh+
633	HCOO	formate neutral radical	hcoo
634	HOCO+	Hydrocarboxyl cation	hoco+
635	HNO2	Nitrous acid	hno2
636	HNO2+	nitrous acid cation	hno2+
637	SO2H+	protonated sulfur dioxide	so2h+
638	CH2CO+	Ketene cation	ch2co+
639	HCCOH	ethynol	hccoh
640	Mg(OH)2	Magnesium dihydroxide	h2mgo2
641	NH2NO	Nitrosamide	nh2no
642	CH2O2	Dioxirane	diox
643	H2O3	Hydrogen trioxide	h2o3
644	HSSSH	trisulfane	hsssh
645	NaOCH3	Sodium methoxide	naoch3
646	CH2BOH	hydroxy(methylene)borane	ch2boh
647	CH3BO	Borane, methyloxo-	ch3bo
648	CH2CHO	Vinyloxy radical	ch2cho
649	CH3CO	Acetyl radical	ch3co
650	CH3CO-	Acetyl anion	ch3co-
651	CH3CO+	acetyl cation	ch3co+
652	CH2NOH	formaldoxime	ch2noh
653	CH3NO	nitrosomethane	ch3no
654	CHONH2	formamide	formamide
655	CNOH3	1,2-oxaziridine	cnoh3
656	CH2OOH	CH2OOH radical	ch2ooh
657	CH3OO	methylperoxy radical	ch3oo
658	CH3OO-	methylperoxy anion	ch3oo-
659	CH3OO+	methylperoxy cation	ch3oo+
660	CH2CHOH	ethenol	ch2choh
661	H2CONH2+	protonated formamide	h2conh2+
662	NH3CHO+	Formamide, N-Protonated	nh3cho+
663	CH2(OH)2	methanediol	ch2o2h2
664	CH3OOH	Methyl peroxide	ch3ooh
665	H2OH2CO	water formaldehyde dimer	h2oh2co
666	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
667	CH3CH2O	Ethoxy radical	ethoxy
668	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
669	CH3CHOH+	acetaldehyde, protonated	ch3choh+
670	CH3OCH2	methoxymethyl radical	ch3och2
671	CH3CH2OH	Ethanol	etoh
672	CH3OCH3	Dimethyl ether	meome
673	CH3SeCH3	dimethylselenide	dmse
674	CH3OHH2O	methanol water dimer	ch3ohh2o
675	H2OCH3OH	water methanol dimer	h2och3oh
676	CuF2	Copper difluoride	cuf2
677	ZnF2	Zinc difluoride	znf2
678	FCN	Cyanogen fluoride	fcn
679	ClCN	chlorocyanogen	clcn
680	ICN	Cyanogen iodide	icn
681	BeF2	Beryllium fluoride	bef2
682	MgF2	Magnesium fluoride	mgf2
683	BeCl2	Beryllium chloride	becl2
684	MgCl2	Magnesium dichloride	mgcl2
685	CaCl2	Calcium Chloride	cacl2
686	ZnCl2	Zinc dichloride	zncl2
687	CaF2	Calcium difluoride	caf2
688	FCO	Carbonyl fluoride	fco
689	FCO+	Carbonyl fluoride cation	fco+
690	ClCO	carbonyl monochloride	clco
691	FNS	Thionitrosyl fluoride	fns
692	BrNO	Nitrosyl bromide	brno
693	INO	Nitrosyl iodide	ino
694	CF2-	Difluoromethylene anion	cf2-
695	CF2+	Difluoromethylene cation	cf2+
696	SiF2+	Silicon difluoride cation	sif2+
697	CCl2	dichloromethylene	ccl2
698	CCl2-	dichloromethylene anion	ccl2-
699	CCl2+	dichloromethylene cation	ccl2+
700	SiCl2	Dichlorosilylene	sicl2
701	GeF2	Germanium difluoride	gef2
702	FOO	Dioxygen monofluoride radical	foo
703	ClOO	chloroperoxy radical	cloo
704	ClOO+	chloroperoxy cation	cloo+
705	OClO+	Chlorine dioxide cation	oclo+
706	ClSO	Sulfur chloride oxide	clso
707	ClS2	Sulfur chloride	cls2
708	NF2	Difluoroamino radical	nf2
709	NF2+	Difluoroamino cation	nf2+
710	F2O	Difluorine monoxide	f2o
711	SF2-	sulfur difluoride anion	sf2-
712	SF2+	sulfur difluoride cation	sf2+
713	Cl2O	Dichlorine monoxide	cl2o
714	SCl2	Sulfur dichloride	scl2
715	BrOCl	Bromine hypochlorite	brocl
716	BrOBr	Bromine oxide	brobr
717	F3-	trifluoride anion	f3-
718	Cl3-	trichloride anion	cl3-
719	I3-	triiodide	i3-
720	HCCF+	fluoroacetylene cation	hccf+
721	HCCCl	Chloroacetylene	hcccl
722	HFCO	formyl fluoride	hfco
723	HFCO+	formyl fluoride cation	hfco+
724	COHCl	Formyl chloride	cohcl
725	COHBr	Formyl bromide	cohbr
726	BHF2	Difluoroborane	bhf2
727	BHCl2	Borane, dichloro-	bhcl2
728	CHCl2	dichloromethyl radical	chcl2
729	HOClO	Chlorous acid	hoclo
730	CH2FCl	fluorochloromethane	ch2fcl
731	CH2BrF	Methane, bromofluoro-	ch2fbr
732	CH2FI	fluoroiodomethane	ch2fi
733	CH2ClI	chloroiodomethane	ch2cli
734	CH2BrI	bromoiodomethane	ch2bri
735	CH2I2	Diiodomethane	ch2i2
736	SiH2Cl2	dichlorosilane	sih2cl2
737	CH2CHF+	fluoroethene cation	ch2chf+
738	C2H3Cl	Ethene, chloro-	ch2chcl
739	C2H3Br	vinyl bromide	c2h3br
740	C2H3I	Vinyl iodide	c2h3i
741	CH3OCl	methyl hypochlorite	ch3ocl
742	C2H5F	fluoroethane	c2h5f
743	CH3CH2Cl	Ethyl chloride	c2h5cl
744	CH3SiFH2	fluoromethylsilane	ch3sifh2
745	C2H5I	Ethyl iodide	c2h5i
746	KrF2	Krypton difluoride	krf2
747	XeF2	Xenon difluoride	xef2
748	B4H10	Tetraborane(10)	b4h10
749	C4+	Carbon tetramer cation	c4+
750	C4H2	Diacetylene	c4h2
751	C2H3CCH	1-Buten-3-yne	c2h3cch
752	C4H4	cyclobutadiene	cbd
753	H2CCCCH2	Butatriene	h2cccch2
754	C4H6	1-Methylcyclopropene	c3100047
755	C4H6	Cyclobutene	c822355
756	C4H6	Methylenecyclopropane	c6142730
757	CH2CCHCH3	1,2-Butadiene	butad12
758	CH2CHCHCH2	1,3-Butadiene	c106990
759	CH3CCCH3	2-Butyne	c503173
760	CHCCH2CH3	1-Butyne	c107006
761	CH3CHCHCH2	methylallyl radical	c4h7
762	C4H8	methylcyclopropane	mcp
763	CH2C(CH3)CH3	1-Propene, 2-methyl-	isobute
764	CH3CHCHCH3	2-Butene, (E)-	bute2e
765	CH3CHCHCH3	2-Butene, (Z)-	bute2z
766	B(CH3)3	trimethylborane	bme3
767	Al(CH3)3	trimethyl aluminum	tma
768	C(CH3)3	Tert-butyl radical	tbutyl
769	CH2CH(CH3)2	Isobutyl radical	isobutyl
770	CH3CHCH2CH3	2-Butyl radical	butyl2
771	CH3CH(CH3)CH3	Isobutane	isobutane
772	SiH(CH3)3	trimethylsilane	trimsi
773	Li3N	trilithium nitride	li3n
774	C2N2	Cyanogen	c2n2
775	C2N2+	Cyanogen cation	c2n2+
776	P4	Phosphorus tetramer	p4
777	HCCCN	Cyanoacetylene	hcccn
778	C3H3N	acrylonitrile	ch2chcn
779	C3H3N+	acrylonitrile cation	ch2chcn+
780	CH3N3	methyl azide	ch3n3
781	NH2CCNH2	Diaminoacetylene	daa
782	NH2CH2CN	Aminoacetonitrile	aan
783	CH3NHN2+	methyl azide, protonated	ch3nhn2+
784	CH5N3	Guanidine	guanidine
785	C4H6	Bicyclo[1.1.0]butane	c157335
786	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
787	CH6N3+	guanidinium	ch6n3+
788	C3H7N	Cyclopropylamine	cpram
789	C3H7N	Azetidine	azet
790	C4H8	cyclobutane	cbutane
791	C2H8N2	Ethylenediamine	ethdiam
792	CH3NHNHCH3	dimethyl hydrazine	dmh
793	CH3CH(NH2)CH3	2-Propanamine	pram2
794	N(CH3)3	Trimethylamine	trimeam
795	P(CH3)3	trimethylphosphine	tmp
796	As(CH3)3	trimethyl arsine	tmas
797	(CH3)3NH+	protonated trimethyl amine	ptma
798	C3H7NH3+	n-propylamine, protonated	c3h7nh2
799	Li2O2	dilithium dioxide	li2o2
800	Na2O2	disodium dioxide	na2o2
801	C3O	Tricarbon monoxide	c3o
802	B2O2	Diboron dioxide	b2o2
803	CO3	Carbon trioxide	co3
804	CO3--	carbonate	co3--
805	NO3	Nitrogen trioxide	no3
806	NO3-	nitrate anion	no3-
807	NO3+	nitrogen trioxide cation	no3+
808	SO3-	Sulfur trioxide anion	so3-
809	SO3+	Sulfur trioxide cation	so3+
810	SeO3	selenium trioxide	seo3
811	TeO3	Tellurium trioxide	teo3
812	HCO3-	bicarbonate anion	hco3-
813	HSO3	Hydroxysulfonyl radical	hso3
814	NH2NO2	nitramide	nh2no2
815	C2H2CO	cyclopropenone	c2h2co
816	HCCCHO	2-propynal	hcccho
817	C2H2O2+	Ethanedial cation	c2h2o2+
818	H2CO3	Carbonic acid	h2co3
819	H2CS3	thiocarbonic acid	h2cs3
820	H2NO3+	Nitric Acid, Protonated	h2no3+
821	H2SO3	Sulfurous acid	h2so3
822	C2H3NO	Nitrosoethylene	c2h3no
823	CH3COO-	acetate anion	ch3coo-
824	CH3ONO	Methyl nitrite	ch3ono
825	NH2COOH	Carbamic acid	nh2cooh
826	H3BO3	Boric acid	h3bo3
827	H3CO3+	carbonic acid, protonated	h3co3+
828	C3H4O	2-Propyn-1-ol	c107197
829	C3H4O	allenol	c9000071
830	C3H4O	Cyclopropanone	cpone
831	C3H4O	Methylketene	c6004440
832	NH2CONH2	Urea	urea
833	NH2CONH2+	Urea cation	urea+
834	NH2CSNH2	Thiourea	thiourea
835	C2H4O2	1,3-dioxetane	c2h4o2
836	CH3COOH	Acetic acid	ch3cooh
837	CH3OCHO	methyl formate	ch3ocho
838	CHOCH2OH	hydroxy acetaldehyde	haa
839	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
840	NH3COOH+	protonated Carbamic acid	nh3cooh+
841	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
842	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
843	HCOOHH2O	Formic acid water dimer	hcoohh2o
844	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
845	CH3COCH2	Acetonyl radical	ch3coch2
846	CH3CHNOH	Acetaldoxime	acetaldoxime
847	CH3CONH2	Acetamide	acetamide
848	HCONHCH3	N-methylformamide	nmfa
849	CH5N2O+	urea, N-protonated	ch4n2o+
850	H2NCOHNH2+	urea, protonated	ureah+
851	C2H5OO	ethylperoxy radical	c2h5oo
852	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
853	C3H5OH	Cyclopropanol	cproh
854	C3H6O	2-Propen-1-ol	c107186
855	C3H6O	Oxetane	oxetane
856	C3H6O	Propylene oxide	prox
857	CH3COCH3	Acetone	acetone
858	CH3COCH3-	acetone anion	ch3coch3-
859	C3H6S	Thietane	thietane
860	C3H6S	Thiirane, methyl-	methiirane
861	CH3CSCH3	Thioacetone	ch3csch3
862	C2H6O2	1,2-Ethanediol	ethdiol
863	CH3OOCH3	dimethylperoxide	dmp
864	CH3SOCH3	Dimethyl sulfoxide	dmso
865	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
866	CH3SSCH3	Disulfide, dimethyl	ch3ssch3
867	CH3COHCH3+	acetone, protonated	acetoneh+
868	HOCH2CH2NH2	monoethanolamine	mea
869	CH3CHOHCH3	Isopropyl alcohol	isoproh
870	CH3OC2H5	Ethane, methoxy-	etome
871	C3H7SH	1-Propanethiol	prsh
872	CH3CHSHCH3	2-Propanethiol	isoprsh
873	CH3SCH2CH3	Ethane, (methylthio)-	etsme
874	H2OCH3OCH3	water dimethylether dimer	h2och3och3
875	Na2F2	Sodium Fluoride Dimer	na2f2
876	Na2Cl2	Disodium dichloride	na2cl2
877	C2F2	difluoroacetylene	c2f2
878	C2Cl2	dichloroacetylene	c2cl2
879	C2Cl2+	dichloroacetylene cation	c2cl2+
880	FNO2	Nitryl fluoride	fno2
881	FONO	Nitrosyl hypofluorite	fono
882	ClNO2	Nitryl chloride	clno2
883	ClONO	chlorine nitrite	clono
884	BrONO	Bromine nitrite	brono
885	N2F2	(Z)-Difluorodiazene	n2f2_z
886	N2F2	Dinitrogen difluoride, (E)-	n2f2_e
887	COFCl	Carbonic chloride fluoride	cofcl
888	CCl2O	Phosgene	cl2co
889	Cl2CS	Thiophosgene	cl2cs
890	COBr2	Carbonic dibromide	cobr2
891	BF3-	Borane, trifluoro- anion	bf3-
892	AlF2Cl	Aluminum chloride difluoride	alclf2
893	ScF3	Scandium trifluoride	ScF3
894	AlFCl2	Aluminum dichloride fluoride	alcl2f
895	AlCl3	Aluminum trichloride	alcl3
896	BBr3	Boron tribromide	bbr3
897	AlBr3	Aluminum Bromide	albr3
898	ClO3	Chlorine trioxide	clo3
899	ClO3-	chlorate anion	clo3-
900	BrO3-	Bromate anion	bro3-
901	CF3	Trifluoromethyl radical	cf3
902	CF3-	Trifluoromethyl anion	cf3-
903	CF3+	Trifluoromethyl cation	cf3+
904	SiF3	Silicon trifluoride radical	sif3
905	SiF3+	Silicon trifluoride cation	sif3+
906	CCl3	Trichloromethyl radical	ccl3
907	CCl3-	Trichloromethyl anion	ccl3-
908	CCl3+	Trichloromethyl cation	ccl3+
909	SiCl3	trichlorosilyl radical	sicl3
910	SiCl3+	trichlorosilyl cation	sicl3+
911	FOOF	Perfluoroperoxide	foof
912	F2SO	Thionyl Fluoride	f2so
913	ClOOCl	Dichlorine dioxide	cloocl
914	FSSF	Difluorodisulfane	fssf
915	S2F2	Thio-thionyl fluoride	s2f2
916	SOCl2	thionyl chloride	socl2
917	SeOCl2	selenium oxychloride	seocl2
918	NF3-	Nitrogen trifluoride anion	nf3-
919	NF3+	Nitrogen trifluoride cation	nf3+
920	PF3	Phosphorus trifluoride	pf3
921	AsF3	Arsenic trifluoride	asf3
922	PCl3	Phosphorus trichloride	pcl3
923	SbF3	Antimony Trifluoride	sbf3
924	AsCl3	Arsenous trichloride	ascl3
925	SbCl3	Antimony Trichloride	sbcl3
926	PBr3	Phosphorus tribromide	pbr3
927	AsBr3	Arsenic tribromide	asbr3
928	NI3	Nitrogen triiodide	ni3
929	PI3	Phosphorus triiodide	pi3
930	ClSSCl	Disulfur dichloride	s2cl2
931	SF3	Sulfur trifluoride	sf3
932	ClF3	Chlorine trifluoride	clf3
933	BrF3	Bromine trifluoride	brf3
934	IF3	iodone trifluoride	if3
935	CHF2Cl	difluorochloromethane	chf2cl
936	CHFCl2	fluorodichloromethane	chfcl2
937	CDCl3	trichloromethane-d	cdcl3
938	CHCl3	Chloroform	chcl3
939	SiHCl3	Trichlorosilane	sihcl3
940	CHFClBr	fluorochlorobromomethane	chfclbr
941	CHF2I	difluoroiodomethane	chf2i
942	CHFClI	fluorochloroiodomethane	chfcli
943	CHCl2I	dichloroiodomethane	chcl2i
944	CHClBr2	Methane, dibromochloro-	chclbr2
945	CHBr3	bromoform	chbr3
946	CHI3	Iodoform	chi3
947	NF3H+	protonated nitrogen trifluoride	nf3h+
948	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
949	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
950	CH2CF2	Ethene, 1,1-difluoro-	ch2cf2
951	CH2CCl2	Ethene, 1,1-dichloro-	ch2ccl2
952	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
953	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
954	C2H2Br2	1,1-dibromoethene	c2h2br2
955	CH2FCHO	Fluoroacetaldehyde	ch2fcho
956	CH3COF	Acetyl fluoride	ch3cof
957	CH2ClCHO	chloroacetaldehyde	ch2clcho
958	CH3COCl	Acetyl Chloride	ch3cocl
959	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
960	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
961	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
962	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
963	CH2CFCH3	2-fluoropropene	2fpro
964	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
965	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
966	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
967	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
968	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
969	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
970	CH3CHClCH3	Propane, 2-chloro-	prcl2
971	CH3CH2CH2Br	n-propyl bromide	prbr
972	CH3CHBrCH3	i-propyl bromide	iprbr
973	C3H9O+	trimethyl oxonium cation	c3h9o+
974	C5H5	cyclopentadienyl radical	c5h5
975	C5H5-	cylopentadienyl anion	c5h5-
976	C5H6	1,3-Cyclopentadiene	c542927
977	C5H6	1-Buten-3-yne, 2-methyl-	c78808
978	C5H6	3-Penten-1-yne, (E)-	c2004695
979	C5H6	3-Penten-1-yne, (Z)-	c1574409
980	C5H6	Bicyclo[2.1.0]pent-2-ene	c5164352
981	C5H6	Cyclopropylacetylene	c6746947
982	C5H7	1,3-pentadienyl radical	pdyl
983	C5H7	cyclopentenyl radical	cpyl
984	C5H8	1,2-Butadiene, 3-methyl-	c598254
985	C5H8	1,2-Pentadiene	c591957
986	C5H8	1,3-Butadiene, 2-methyl-	c78795
987	C5H8	1,3-Pentadiene, (E)-	c2004708
988	C5H8	1,3-Pentadiene, (Z)-	c1574410
989	C5H8	1,4-Pentadiene	c591935
990	C5H8	1-pentyne	a1pentyne
991	C5H8	2,3-Pentadiene	c591968
992	C5H8	Cyclobutane, methylene-	c1120565
993	C5H8	Cyclopentene	c142290
994	C5H8	Ethenylcyclopropane	c693867
995	CH3CCCH2CH3	2-Pentyne	2pentyne
996	C5H10	1-Butene, 2-methyl-	c563462
997	C5H10	2-Butene, 2-methyl-	c513359
998	C5H10	2-Pentene, (E)-	c646048
999	C5H10	2-Pentene, (Z)-	c627203
1000	C5H10	Cyclopentane	c287923
1001	C5H10	Cyclopropane, 1,1-dimethyl-	c1630940
1002	CH2CHCH2CH2CH3	1-pentene	pentene
1003	C5H11	2-Methylbut-2-yl radical	c4348350
1004	C5H12	Butane, 2-methyl-	buta2
1005	C5H12	Pentane	pentane
1006	C5H12	Propane, 2,2-dimethyl-	neopentane
1007	Si(CH3)4	tetramethylsilane	tms
1008	N2O3	Dinitrogen trioxide	n2o3
1009	C3H2N2	Malononitrile	c3h2n2
1010	CH2N4	1H-Tetrazole	1htz
1011	C3H3N2	imidazolyl radical	im
1012	C3H3N2-	imidizolyl anion	im-
1013	C2H3N3	1H-1,2,4-Triazole	c288880
1014	C4H4N	pyrrolide radical	c4h4n
1015	C4H4N-	pyrrolide anion	c4h4n-
1016	C3H4N2	1H-Imidazole	1himidaz
1017	C3H4N2	1H-Pyrazole	1hpyraz
1018	C3H4N2	4H-Imidazole	imid4h
1019	C4H5N	(E)-2-Butenenitrile	c627269
1020	C4H5N	(Z)-2-Butenenitrile	c1190767
1021	C4H5N	2H-pyrrole	pyrrole2
1022	C4H5N	3H-pyrrole	pyrrole3
1023	C4H5N	Cyclopropanecarbonitrile	c5500210
1024	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1025	C4H6N+	pyrrole, alpha-protonated	appyr
1026	C4H6N+	pyrrole, beta-protonated	bppyr
1027	C4H6N+	pyrrole, protonated	ppyr
1028	C3H6N2	3-Aminopropionitrile	c151188
1029	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1030	CH3CH2CH2CN	Butanenitrile	c109740
1031	C5H8	Bicyclo[2.1.0]pentane	c185944
1032	C5H8	Spiropentane	c157404
1033	C4H9N	Cyclobutylamine	cbam
1034	C4H9N	Pyrrolidine	pyrrolidine
1035	C3H10N2	1,2-Diaminopropane	diampr12
1036	C(CH3)3NH2	2-Propanamine, 2-methyl-	c75649
1037	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	c78819
1038	C(NH2)H2CH2CH2CH3	1-Butanamine	butam1
1039	CH3C(NH2)HCH2CH3	2-Butanamine	butam2
1040	NH(C2H5)2	diethylamine	dea
1041	NC4H12+	tetramethyl ammonium cation	nc4h12+
1042	C3O2+	Carbon suboxide cation	c3o2+
1043	MgCO3	Magnesium Carbonate	mgco3
1044	BeCO3	Beryllium Carbonate	beco3
1045	CaCO3	Calcium Carbonate	caco3
1046	ONONO	Nitrosyl nitrite	onono
1047	PO4---	phosphate	po4---
1048	SO4--	sulfate	so4--
1049	HOONO2	peroxy nitric acid	hoono2
1050	HSO4-	bisulfate anion	hso4-
1051	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1052	C3H2O2	Propiolic acid	c3h2o2
1053	CHOCOOH	oxo acetic acid	oaa
1054	H2SO4	Sulfuric acid	h2so4
1055	H2SeO4	Selenic acid	h2seo4
1056	C3H3NO	Oxazole	oxazole
1057	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1058	CH3NO3	Methyl nitrate	ch3no3
1059	H3PO4	Phosphoric Acid	h3po4
1060	C4H4O	Furan	furan
1061	C4H4O+	Furan cation	furan+
1062	C4H4S	Thiophene	furans
1063	C3H4O2	β–Propiolactone	beta
1064	C3H4O2	2-Propenoic acid	propenoic2
1065	C3H4O2	Methyl glyoxal	megly
1066	C3H4O2	propanedial	propanedial
1067	C3H4O2	propenalol	propenalol
1068	HOCHCCHOH	allenediol	aldiol
1069	C2H4O3	1,2,3-trioxolane	c2h4o3
1070	C2H4O3	trioxolane124	triox
1071	HOCH2COOH	Hydroxyacetic acid	hac
1072	CH2CHCONH2	Acrylamide	c79061
1073	CH3OCH2CN	Methoxyacetonitrile	c1738369
1074	CH5N3S	Hydrazinecarbothioamide	c79196
1075	H2NCH2COOH	Glycine	glycine
1076	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1077	C4H6O	cis-2-butenal	butenal2c
1078	C4H6O	Cyclobutanone	cbutone
1079	C4H6O	Furan, 2,3-dihydro-	furan23h
1080	C4H6O	Furan, 2,5-dihydro-	furan25h
1081	CH2CHOCHCH2	Vinyl ether	vinylether
1082	CHOCHCHCH3	2-Butenal	butenal2
1083	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1084	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1085	CH2CHSCHCH2	Divinyl sulfide	divis
1086	C2H6N2O	Urea, methyl-	c598505
1087	C3H6O2	1,3-Dioxolane	dioxolane
1088	CH3CH2COOH	Propanoic Acid	propanoic
1089	CH3COOCH3	methyl acetate	aame
1090	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1091	C3H7NO	dimethylformamide	dmf
1092	C3H7NO	Propanamide	propanam
1093	C2H3OC2H5	Ethene, ethoxy-	c109922
1094	C4H8O	Cyclobutanol	c2919235
1095	C4H8O	Furan, tetrahydro-	thf
1096	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	pre1meo2
1097	CH3COCH2CH3	2-Butanone	buta2one
1098	CHOCH(CH3)CH3	Propanal, 2-methyl-	c78842
1099	CHOCH2CH2CH3	Butanal	butanal
1100	C3H8O2	1,3-Propanediol	c504632
1101	C3H8O2	Hydroperoxide, 1-methylethyl	c3031752
1102	C3H8O2	Methane, dimethoxy-	c109875
1103	C3H8O2	Propylene glycol	c57556
1104	C3H8S2	1,3-Propanedithiol	c109808
1105	C4H10O	1-Butanol	butanol1
1106	C4H10O	1-Propanol, 2-methyl-	c78831
1107	C4H10O	2-Butanol, (.+/-.)-	butanol2
1108	C4H10O	Ethanol, 1,1-dimethyl-	tbuoh
1109	C4H10O	Ethoxy ethane	etoet
1110	C4H10O	Propane, 2-methoxy-	c598538
1111	C4H10O+	1-Butanol cation	butanol1+
1112	C2H5SC2H5	Diethyl sulfide	etset
1113	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1114	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1115	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1116	FNO3	Fluorine nitrate	fno3
1117	ClONO2	Chlorine nitrate	clono2
1118	BrONO2	Bromine nitrate	brono2
1119	TiCl4	Titanium tetrachloride	ticl4
1120	ClO4-	perchlorate anion	clo4-
1121	BF4-	tetrafluoroboron anion	bf4-
1122	ClFO3	Perchloryl fluoride	clfo3
1123	SO2F2	Sulfuryl fluoride	so2f2
1124	SO2Cl2	Sulfuryl chloride	so2cl2
1125	F3NO	Nitrogen trifluoride oxide	f3no
1126	F3PO	Phosphoryl fluoride	pf3o
1127	Cl3PO	Phosphoryl chloride	pcl3o
1128	CF4	Carbon tetrafluoride	cf4
1129	SiF4	Silicon tetrafluoride	sif4
1130	TiF4	Titanium tetrafluoride	tif4
1131	CFCl3	Trichloromonofluoromethane	cfcl3
1132	CCl4	Carbon tetrachloride	ccl4
1133	CCl4+	Carbon tetrachloride cation	ccl4+
1134	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1135	SiCl4	Silane, tetrachloro-	sicl4
1136	CF3I	trifluoroiodomethane	cf3i
1137	CBrCl3	Methane, bromotrichloro-	cbrcl3
1138	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1139	GeCl4	Germanium Tetrachloride	gecl4
1140	CCl3I	trichloroiodomethane	ccl3i
1141	CFBr3	fluorotribromomethane	cfbr3
1142	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1143	CF2I2	difluorodiiodomethane	cf2i2
1144	CBr4	Carbon tetrabromide	cbr4
1145	CCl2I2	dichlorodiiodomethane	ccl2i2
1146	SiBr4	Silicon tetrabromide	sibr4
1147	CBr3I	tribromoiododmethane	cbr3i
1148	GeBr4	Germanium tetrabromide	gebr4
1149	CI4	tetraiodomethane	ci4
1150	SiI4	silicon tetraiodide	sii4
1151	ClOF3	Chlorine trifluoride oxide	clof3
1152	C2HF3	Trifluoroethylene	c2hf3
1153	C2HF3+	Trifluoroethylene cation	c2hf3+
1154	CHClCCl2	Trichloroethylene	chclccl2
1155	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1156	HClO4	perchloric acid	hclo4
1157	HSO3F	Fluorosulfonic acid	hso3f
1158	CF3OH	trifluoromethanol	cf3oh
1159	CHClCCHCl	1,3-dichloroallene	chclcchcl
1160	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1161	CH3CF3	Ethane, 1,1,1-trifluoro-	ch3cf3
1162	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1163	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1164	CH2ClCHCl2	1,1,2-trichloroethane	ch2clchcl2
1165	CH3CCl3	Ethane, 1,1,1-trichloro-	ch3ccl3
1166	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1167	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1168	NH3BCl3	Amminetrichloroboron	nh3bcl3
1169	SiH3CCl3	(trichloromethyl)silane	sih3ccl3
1170	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1171	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1172	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1173	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1174	CH3CCl2CH3	Propane, 2,2-dichloro-	prdicl22
1175	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1176	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1177	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1178	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1179	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1180	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1181	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1182	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1183	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1184	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1185	C4H9F	1-fluorobutane	butaf1
1186	CH3CHFCH2CH3	2-fluorobutane	butaf2
1187	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1188	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1189	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1190	XeF4	Xenon tetrafluoride	xef4
1191	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1192	NH3BF3	Amminetrifluoroboron	nh3bf3
1193	C6H2	hexatriyne	c6h2
1194	C6H4	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1195	C6H4	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1196	C6H4	Benzyne	benzyne
1197	C6H5	phenyl	phenyl
1198	C6H5-	phenyl anion	phenyl-
1199	C6H6	2,4-Hexadiyne	hexadiyne
1200	C6H6	3,4-Dimethylenecyclobutene	cb34m
1201	C6H6	Benzene	benzene
1202	C6H6	Benzvalene	bv
1203	C6H6	Hexa-1,5-diene-3-yne	hdy153
1204	C6H6	Trimethylenecycopropane	tmcp
1205	C6H6+	Benzene cation	c6h6+
1206	C6H7+	benzene, protonated	c6h7+
1207	C6H8	(E)-hexa-1,3,5-triene	c821078
1208	C6H8	(E)-hexa-2,3,4-triene	c59660650
1209	C6H8	(Z)-hexa-1,3,5-triene	hexatri135
1210	C6H8	(Z)-hexa-2,3,4-triene	hetr234c
1211	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1212	C6H8	1,4-Cyclohexadiene	cyhexadiene14
1213	C6H8	3-Methylenecyclopentene	c930267
1214	C6H8	Bicyclo[2.1.1]hex-2-ene	c822413
1215	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1216	C6H8	Bicyclo[3.1.0]hex-2-ene	c694019
1217	C6H10	1,3-Hexadiene, (E)-	hexdi13e
1218	C6H10	1,3-Hexadiene, (Z)-	hexdi13z
1219	C6H10	1,4-Hexadiene, (E)-	hexdi14t
1220	C6H10	1,4-Hexadiene, (Z)-	hexdi14z
1221	C6H10	1,5-Hexadiene	c592427
1222	C6H10	1-Butyne, 3,3-dimethyl-	c917920
1223	C6H10	1-Hexyne	hexyne1
1224	C6H10	2,4-Hexadiene, (E,E)-	hexdi24ee
1225	C6H10	2,4-Hexadiene, (E,Z)-	hexdi24ez
1226	C6H10	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1227	C6H10	2-Hexyne	c764352
1228	C6H10	3-Hexyne	hexyne3
1229	C6H10	cyclohexene	cyclohexene
1230	C6H10	Cyclopentene, 1-methyl-	c693890
1231	C6H10	Cyclopentene, 3-methyl-	c1120623
1232	C6H10	Cyclopentene, 4-methyl-	c1759815
1233	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1234	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1235	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1236	C6H12	(E)-2-Hexene	e2hexene
1237	C6H12	(E)-3-methylpent-2-ene	c616126
1238	C6H12	(E)-hex-3-ene	e3hexene
1239	C6H12	(Z)-3-methylpent-2-ene	c922623
1240	C6H12	(Z)-hex-2-ene	z2hexene
1241	C6H12	(Z)-hex-3-ene	z3hexene
1242	C6H12	2,3-dimethylbut-1-ene	c563780
1243	C6H12	2,3-dimethyl-but-2-ene	tmeet
1244	C6H12	3-methylenepentane	c760214
1245	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1246	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1247	C6H12	Cyclohexane	cyclohexane
1248	C6H12	Cyclopentane, methyl-	c96377
1249	C6H12	Ethylcyclobutane	c4806615
1250	C6H12	hex-1-ene	hexene1
1251	C6H14	Butane, 2,2-dimethyl-	buta22
1252	C6H14	Butane, 2,3-dimethyl-	buta23
1253	C6H14	Hexane	hexane
1254	C6H14	Pentane, 2-methyl-	penta2
1255	C6H14	Pentane, 3-methyl-	penta3
1256	C4N2	2-Butynedinitrile	c4n2
1257	C4H2N2	Fumaronitrile	c4h2n2
1258	C2H2N4	sym-tetrazine	ttz
1259	C3H3N3	1,3,5-Triazine	triazine135
1260	CH3N5	5-Aminotetrazole	c4418615
1261	C4H4N2	1,3-Diazine	diazine13
1262	C4H4N2	Pyrazine	pyrazine
1263	C4H4N2	Pyridazine	pyridazine
1264	C4H4N2	Succinonitrile	c110612
1265	C2H4N4	1H-Tetrazole, 1-methyl-	c16681779
1266	C2H4N4	1H-Tetrazole, 5-methyl-	c4076362
1267	C2H4N4	2H-Tetrazole, 2-methyl-	c16681780
1268	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1269	C5H5N	E-2,4-pentadienenitrile	bdcn
1270	C5H5N	Pyridine	pyridine
1271	B3N3H6	borazine	borazine
1272	C6H6	Fulvene	fulvene
1273	C5H6N+	Pyridinium	c5h6n
1274	C4H6N2	1H-Imidazole, 2-methyl-	c693981
1275	C5H7N	(E)-2-Pentenenitrile	c26294984
1276	C5H7N	(E)-3-Pentenenitrile	c16529661
1277	C5H7N	(Z)-2-Pentenenitrile	c25899507
1278	C5H7N	1H-Pyrrole, 1-methyl-	c96548
1279	C5H7N	Cyclobutanecarbonitrile	c4426113
1280	C5H9N	1,2,3,6-Tetrahydropyridine	c694053
1281	C5H9N	Butanenitrile, 2-methyl-	c18936179
1282	C5H9N	Pentanenitrile	c110598
1283	C5H9N	Propanenitrile, 2,2-dimethyl-	c630182
1284	C6H10	Bicyclo[3.1.0]hexane	c285585
1285	C5H11N	Cyclopentanamine	cypentam
1286	C5H11N	Piperidine	piper
1287	C4H12N2	1,2-Butanediamine	c4426486
1288	C4H12N2	2-Methyl-1,2-propanediamine	c811938
1289	Li2CO3	Lithium Carbonate	li2co3
1290	Na2CO3	Sodium Carbonate	na2co3
1291	C2O4--	oxalate anion	c2o4
1292	MgSO4	Magnesium Sulfate	mgso4
1293	C3H2O3	vinylene carbonate	vica
1294	C2H2O4	Oxalic Acid	oxalic
1295	C2H3NO3	Oxamic acid	oxamic
1296	C4H4O2	2(5H)-Furanone	furanone
1297	C4H4O2	2-Oxetanone, 4-methylene-	c674828
1298	C2H4N2O2	Oxalamide	oxalamide
1299	C2H4N2S2	Ethanedithioamide	c79403
1300	C2H4CO3	Ethylene carbonate	etco3
1301	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1302	C3H4S3	1,3-Dithiolane-2-thione	c822388
1303	C2H4O4	Formic acid dimer	fadimer
1304	C4H5NO	3-Methylisoxazole	isox3m
1305	C4H5NO	Isoxazole, 5-methyl-	c5765446
1306	C4H5NS	4-Methylthiazole	c693958
1307	C2H5NO3	Nitric acid, ethyl ester	c625581
1308	C5H6O	2-methylfuran	furan2m
1309	C5H6O	3-Methylfuran	furan3m
1310	C5H6S	Thiophene, 2-methyl-	c554143
1311	C5H6S	Thiophene, 3-methyl-	c616444
1312	C4H6O2	2,3-Butanedione	c431038
1313	C4H6O2	2-Propenoic acid, methyl ester	c96333
1314	C4H6O2	Crotonic Acid	crot
1315	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1316	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1317	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1318	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1319	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1320	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1321	C4H6OS	Vinyl sulfoxide	c1115157
1322	CH6N4S	Carbonothioic dihydrazide	thiacarb
1323	C2H6N2O2	(E)-Azodioxymethane	c37765154
1324	C2H6N2O2	Dimethylnitroamine	c4164287
1325	C3H6S3	1,3,5-Trithiane	c3h6s3
1326	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1327	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1328	C4H7NO	2-Pyrrolidinone	c616455
1329	C4H7NO	Ethoxyacetonitrile	etoaccn
1330	C4H7NO	Methacrylamide	c79390
1331	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1332	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1333	C3H7ONO	Propyl nitrite	prono
1334	CH3CH(CH3)ONO	Isopropyl nitrite	c541424
1335	CH3CH(NH2)COOH	Alanine	alanine
1336	CH3NHCH2COOH	Sarcosine	sarcosine
1337	NH2CH2CH2COOH	β–alanine	betaalanine
1338	NH2COOC2H5	Urethane	urethane
1339	C5H8O	2H-Pyran, 3,4-dihydro-	c110872
1340	C5H8O	Cyclopentanone	c120923
1341	C5H8O	Furan, 2,3-dihydro-5-methyl-	c1487156
1342	C5H8O	Methyl cyclopropyl ketone	c765435
1343	N(CH3)2CONH2	Urea, N,N-dimethyl-	c598947
1344	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1345	NH2CONHC2H5	Urea, ethyl-	c625525
1346	C4H8O2	1,3-Dioxane	dioxan13
1347	C4H8O2	1,3-Dioxolane, 2-methyl-	c497267
1348	C4H8O2	1,4-Dioxane	dioxan14
1349	C4H8O2	Ethene, 1,1-dimethoxy-	c922690
1350	C4H8O2	Ethyl acetate	c141786
1351	C4H8OS	s-Ethyl thioacetate	c625605
1352	C3H8O3	1,2,3-Propanetriol	glycerin
1353	C3H8O2S	(Methylsulfonyl)ethane	c594434
1354	C4H9NO	Butanamide	c541355
1355	C4H9NO	Propanamide, 2-methyl-	c563837
1356	C5H10O	2-Butanone, 3-methyl-	c563804
1357	C5H10O	2H-Pyran, tetrahydro-	c142687
1358	C5H10O	2-methylbutyraldehyde	2meba
1359	C5H10O	2-Pentanone	mpk
1360	C5H10O	Cyclopentanol	c96413
1361	C5H10O	Oxetane, 3,3-dimethyl-	c6921353
1362	C5H10O	Pentanal	pal
1363	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1364	C5H10S	3-Ethylthio-1-propene	c5296628
1365	C5H10S	Cyclopentanethiol	c1679078
1366	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1367	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1368	C4H10O2	1,1-Dimethoxyethane	c534156
1369	C4H10O2	1,3-Butanediol	budiol13
1370	C4H10O2	1,4-Butanediol	budiol14
1371	C4H10O2	Ethane, 1,2-dimethoxy-	c110714
1372	C4H10OS	Diethyl sulfoxide	c70291
1373	C4H10S2	1,4-Butanedithiol	budisl14
1374	C4H11NO	Diethylhydroxylamine	c3710847
1375	C5H12O	1-Butanol, 2-methyl-	c137326
1376	C5H12O	1-Butanol, 3-methyl-	c123513
1377	C5H12O	1-Pentanol	pentanol1
1378	C5H12O	2-Butanol, 3-methyl-	c598754
1379	C5H12O	2-Pentanol	peol2
1380	C5H12O	3-Pentanol	pentan3ol
1381	C5H12O	Butane, 1-methoxy-	meobu
1382	C5H12O	Propane, 1-ethoxy-	proet
1383	C5H12O	Propane, 2-methoxy-2-methyl-	c1634044
1384	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1385	C5H12S	1-Butanethiol, 3-methyl-	c541311
1386	C5H12S	1-Pentanethiol	c110667
1387	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1388	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1389	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1390	C5H12S	Butane, 1-(methylthio)-	c628295
1391	C5H12S	Ethyl propyl sulfide	c4110503
1392	C5H12S	Propane, 2-(ethylthio)-	c5145993
1393	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1394	ClCOClCO	Oxalyl chloride	oxcl
1395	CF3CN	Acetonitrile, trifluoro-	cf3cn
1396	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1397	B2F4	Diboron tetrafluoride	b2f4
1398	B2Cl4	Diboron tetrachloride	b2cl4
1399	C2F4	Tetrafluoroethylene	c2f4
1400	C2F4+	Tetrafluoroethylene cation	c2f4+
1401	CF2CCl2	difluorodichloroethylene	cf2ccl2
1402	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1403	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1404	C2FCl3	fluorotrichloroethene	c2fcl3
1405	C2Cl4	Tetrachloroethylene	c2cl4
1406	CF3OF	Trifluoromethylhypofluorite	cf3of
1407	SOF4	Sulfur tetrafluoride oxide	sof4
1408	PF5	Phosphorus pentafluoride	pf5
1409	AsF5	Arsenic pentafluoride	asf5
1410	PCl5	Phosphorus pentachloride	pcl5
1411	SF5	Sulfur pentafluoride	sf5
1412	SF5+	pentafluoro sulfur cation	sf5+
1413	SbCl5	Antimony pentachloride	sbcl5
1414	BrF5	bromine pentafluoride	brf5
1415	ClF5	chlorinepentafluoride	clf5
1416	IF5	pentafluoroiodine	if5
1417	CF3CHO	trifluoroacetaldehyde	cf3cho
1418	CCl3CHO	trichloroacetaldehyde	ccl3cho
1419	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1420	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1421	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1422	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1423	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1424	CH2ClCCl3	1,1,1,2-tetrachloroethane	ch2clccl3
1425	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1426	CF3COOH	trifluoroacetic acid	cf3cooh
1427	C4H3ClO	Furan, 2-chloro	fur2cl
1428	C4H3ClO	Furan,3-chloro	fur3cl
1429	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1430	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1431	C4H8Cl2	1,4-Dichlorobutane	c110565
1432	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1433	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1434	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1435	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1436	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1437	C5H11Cl	Pentane, 1-chloro-	pencl1
1438	C4H8O2	Butanoic acid	bua
1439	C6H5CH2	benzyl radical	benzyl
1440	C6H5CH3	toluene	toluene
1441	C7H8	cycloheptatriene	cht
1442	C7H8	Norbornadiene	norbor
1443	C7H8	Quadricyclane	qucy
1444	C7H12	Norbornane	nor
1445	C7H14	cycloheptane	c7h14
1446	C7H16	2-methylhexane	2mhex
1447	C7H16	3-methylhexane	hex3m
1448	C7H16	heptane	heptane
1449	HN=C=C(CN)2	Dicyanoketenimine	c4hn3
1450	C6H7N	2-Methylpyridine	mp
1451	C6H5NH2	aniline	aniline
1452	C6H13N	2-Methylpiperidine	pip2m
1453	C6H13N	cyclohexanamine	cham
1454	C6H15N	triethylamine	tea
1455	N2O5	Dinitrogen pentoxide	n2o5
1456	C4H2O3	Maleic Anhydride	malan
1457	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1458	C5H4O2	furfural	furfural
1459	C6H5O	phenoxy radical	phenoxy
1460	C5H5NO	2(1H)-Pyridinone	c72762006
1461	C5H5NO	2(3H)-Pyridinone	c9000048
1462	C5H5NO	2(5H)-Pyridinone	c9000037
1463	C5H5NO	2-Pyridinol	c109104
1464	C5H5NO	3(2H)-Pyridinone	c9000004
1465	C5H5NO	3(4H)-Pyridinone	c9000026
1466	C5H5NO	3(6H)-Pyridinone	c9000015
1467	C5H5NO	3-Pyridinol	c109002
1468	C5H5NO	4(1H)-Pryidinone	c9000060
1469	C5H5NO	4(3H)-Pryidinone	c9000059
1470	C5H5NO	4-Pyridinol	c626642
1471	C6H5OH	phenol	phenol
1472	C6H6O	2,4-Cyclohexadienone	c24599573
1473	C6H6O	2,5-Cyclohexadienone	c5664335
1474	C6H5SH	Benzenethiol	phsh
1475	HO2CCHNH2CH2OH	Serine	serine
1476	C5H8O2	Acetylacetone	acac
1477	C4H8O2S	Sulfolane	sulfolane
1478	C7H10	Norbornene	norbornene
1479	CH(C2H3)3	trivinyl methane	tvm
1480	C6H10O	cyclohexanone	chexo
1481	C6H12O	hexanal	c6h12o
1482	C6H12O	Oxepane	oxepane
1483	C3H7OC3H7	di-n-propyl ether	propr
1484	CF3COO-	trifluoro acetate anion	cf3coo-
1485	CF3COF	trifluoroacetyl fluoride	cf3cof
1486	CF3COCl	trifluoroacetyl chloride	cf3cocl
1487	PF6	Hexafluorophosphate neutral	pf6
1488	PF6-	Hexafluorophosphate ion	pf6-
1489	SeF6	Selenium hexafluoride	sef6
1490	SF5Cl	sulfur chloropentafluoride	sf5cl
1491	CF3CHF2	pentafluoroethane	cf3chf2
1492	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1493	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1494	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1495	CCl3CHCl2	pentachloroethane	ccl3chcl2
1496	C6H5F	Fluorobenzene	bzf
1497	C6H5Cl	chlorobenzene	bzcl
1498	C6H5Br	bromobenzene	bzbr
1499	C8H6	Calicene	calicene
1500	C6H5CCH	phenylacetylene	phac
1501	C8H6	benzocyclobutadiene	bcbd
1502	C8H6	Pentalene	pentalene
1503	C6H5CHCH2	Styrene	styrene
1504	C8H8	cubane	cubane
1505	C8H8	cyclooctatetraene	cot
1506	C6H5CH2CH3	Ethylbenzene	etbz
1507	CH3C6H4CH3	meta-xylene	mxylene
1508	CH3C6H4CH3	paraxylene	pxylene
1509	C8H14	Bicyclo[2.2.2]octane	bico222
1510	C8H16	cyclooctane	cyclooct
1511	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1512	C8H18	Octane	c8h18
1513	C6H5CN	phenyl cyanide	phcn
1514	C6H12N2	Triethylenediamine	ted
1515	C4O4--	squarate dianion	c4o4--
1516	S8	Octasulfur	s8
1517	C6H4O2	parabenzoquinone	pbq
1518	C4H4N2O2	Uracil	uracil
1519	C6H5CHO	benzaldehyde	benzal
1520	C6H5OCH3	Anisole	anisole
1521	C5H9NO2	Proline	proline
1522	C6H12O2	Methyl pivalate	c598981
1523	C6H12O2	Hexanoic acid	hexa
1524	C4F4	tetrafluorcyclobutadiene	c4f4
1525	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1526	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1527	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1528	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1529	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1530	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1531	C2F6	hexafluoroethane	c2f6
1532	C2Cl6	hexachloroethane	c2cl6
1533	IF7	Iodine heptafluoride	if7
1534	C6H4F2	metadifluorobenzene	mdfb
1535	C6H4F2	orthodifluorobenzene	odfb
1536	C6H4F2	1,4-difluorobenzene	pdfb
1537	C6H4Cl2	1,2-dichlorobenzene	dcb12
1538	C6H4Cl2	1,3-dichlorobenzene	dcb13
1539	C9H8	Indene	indene
1540	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1541	C9H12	n-propyl benzene	prbz
1542	C9H20	Nonane	nonane
1543	C(CN)4	tetracyanomethane	c5n4
1544	C5H4N4	purine	purine
1545	C8H7N	Indole	indole
1546	C3H3N3O3	cyanuric acid	cyanuric
1547	C6H5NO2	Nitrobenzene	c6h5no2
1548	C6H5COOH	benzoic acid	benzo
1549	CH3COC6H5	acetophenone	acph
1550	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1551	C6H3F3	Benzene trifluoride 123	bzf3a
1552	C10H8	Azulene	azu
1553	C10H8	naphthalene	naph
1554	C10H10	bullvalene	bullv
1555	C10H16	adamantane	adamantane
1556	C6N4	Tetracyanoethylene	tcne
1557	C6N4-	tetracyanoethylene anion	tcne-
1558	C10H22	Decane	decane
1559	C4F6	perfluorobutadiene	c4f6
1560	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1561	C3F8	perfluoropropane	c3f8
1562	Fe(CO)5	Iron pentacarbonyl	ipc
1563	Fe(C5H5)2	ferrocene	fecp2
1564	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1565	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1566	C12H8	Acenaphthylene	acenaph
1567	C12H8	biphenylene	biph
1568	C12H10	biphenyl	biphenyl
1569	C12H10	Heptalene	heptalene
1570	C6H12O6	Inositol	inositol
1571	C6F6	hexafluorobenzene	c6f6
1572	S2F10	disulphur decafluoride	s2f10
1573	C13H10	Fluorene	fluorene
1574	C14H10	Anthracene	anth
1575	C14H10	Phenanthrene	phenanthrene
1576	C14H14	Bibenzyl	bibenzyl
1577	C12H10N2	azobenzene	azobenzene
1578	C6H5COC6H5	benzophenone	benzophenone
1579	C16H10	Pyrene	pyrene
1580	C18H12	Tetracene	tetracene
1581	C19H16	Triphenylmethane	tpm
1582	C24H12	Coronene	coronene
1583	C60	Buckminsterfullerene	c60