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
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IX	Feedback
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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 MP2 /cc-pV(T+d)Z

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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	He2+	helium diatomic cation	2Σu	D∞h
12	Li	Lithium atom	2S	Kh
13	Na	Sodium atom	2S	Kh
14	Na+	Sodium atom cation	1S	Kh
15	LiH	Lithium Hydride	1Σ	C∞v
16	LiH-	lithium hydride anion	2Σ	C∞v
17	LiH+	lithium hydride cation	2Σ	C∞v
18	NaH	sodium hydride	1Σ	C∞v
19	NaH-	sodium hydride anion	2Σ	C∞v
20	NaH+	sodium hydride cation	2Σ	C∞v
21	Be	Beryllium atom	1S	Kh
22	Mg	Magnesium atom	1S	Kh
23	BeH	beryllium monohydride	2Σ	C∞v
24	BeH-	berylium monohydride anion	1Σ	C∞v
25	BeH+	beryllium monohydride cation	1Σ	C∞v
26	MgH	magnesium monohydride	2Σ	C∞v
27	MgH-	magnesium monohydride anion	1Σ	C∞v
28	MgH+	magnesium monohydride cation	1Σ	C∞v
29	BeH2	beryllium dihydride	1Σg	D∞h
30	MgH2	magnesium dihydride	1Σg	D∞h
31	B	Boron atom	2P	Kh
32	Al	Aluminum atom	2P	Kh
33	BH	Boron monohydride	1Σ	C∞v
34	BH-	boron monohydride anion	2Π	C∞v
35	BH+	boron monohydride cation	2Σ	C∞v
36	AlH	aluminum monohydride	1Σ	C∞v
37	BH2	boron dihydride	2A1	C2v
38	AlH2	aluminum dihydride	2A1	C2v
39	BH3	boron trihydride	1A1'	D3h
40	AlH3	aluminum trihydride	1A1'	D3h
41	BH4-	borohydride anion	1A1	Td
42	AlH4-	Aluminum tetrahydride anion	1A1	Td
43	C	Carbon atom	3P0	Kh
44	Si	Silicon atom	3P	Kh
45	CH	Methylidyne	2Π1/2	C∞v
46	CH-	methylidyne anion	3Σ	C∞v
47	CH+	Methylidyne cation	1Σ	C∞v
48	SiH	Silylidyne	2Π	C∞v
49	CH2	Methylene	3B1	C2v
50	CH2	Methylene	1A1	C2v
51	CH2-	methylene anion	2B1	C2v
52	CH2+	methylene cation	2A1	C2v
53	SiH2	silicon dihydride	1A1	C2v
54	SiH2	silicon dihydride	3B1	C2v
55	CH3	Methyl radical	2A1	D3h
56	CH3-	methyl anion	1A1	C3v
57	CH3+	methyl cation	1A1'	D3h
58	SiH3	Silyl radical	2A1	C3v
59	SiH3+	Silyl cation	1A1'	D3h
60	CH4	Methane	1A1	Td
61	SiH4	Silane	1A1	Td
62	P	Phosphorus atom	4S	Kh
63	NH	Imidogen	3Σ-	C∞v
64	NH	Imidogen	1Σ+	C∞v
65	NH-	Imidogen anion	2Π	C∞v
66	NH+	imidogen cation	2Π	C∞v
67	PH	phosphorus monohydride	3Σ-	C∞v
68	PH	phosphorus monohydride	1Δ	C∞v
69	ND2	Amidogen-d2	2B1	C2v
70	NH2	Amino radical	2B1	C2v
71	NH2-	amino anion	1A1	C2v
72	PH2	Phosphino radical	2B1	C2v
73	ND3	Ammonia-d3	1A1	C3v
74	NH3	Ammonia	1A1	C3v
75	NH3+	ammonia cation	2A2"	D3h
76	PH3	Phosphine	1A1	C3v
77	NH4+	ammonium cation	1A1	Td
78	PH4+	phosphonium cation
79	O	Oxygen atom	3S	Kh
80	S	Sulfur atom	3P	Kh
81	DO	Hydroxyl-d	2Π	C∞v
82	OH	Hydroxyl radical	2Π	C∞v
83	OH-	hydroxide anion	1Σ	C∞v
84	OH+	hydoxyl cation	3Σ	C∞v
85	OH+	hydoxyl cation	1Σ	C∞v
86	DS	Mercapto-d	2Π	C∞v
87	HS	Mercapto radical	2Π	C∞v
88	HS-	mercapto anion	1Σ	C∞v
89	HS+	sulfur monohydride cation	3Σ	C∞v
90	D2O	Deuterium oxide	1A1	C2v
91	H2O	Water	1A1	C2v
92	H2O-	water anion	2A1	C2v
93	H2O-	water anion	2A'	Cs
94	H2O+	water cation	2B1	C2v
95	HDO	Water-d1	1A1	C2v
96	D2S	Hydrogen sulfide-d2	1A1	C2v
97	H2S	Hydrogen sulfide	1A1	C2v
98	H2S+	Hydrogen sulfide cation	2B1	C2v
99	H3O+	hydronium cation	1A1	C3v
100	H3S+	Sulfonium cation	1A1	C3v
101	F	Fluorine atom	2P	Kh
102	Cl	Chlorine atom	2P	Kh
103	DF	Hydrofluoric acid-d	1Σ	C∞v
104	HF	Hydrogen fluoride	1Σ	C∞v
105	HF-	hydrogen fluoride anion	2Σ	C∞v
106	HF+	hydrogen fluoride cation	2Π	C∞v
107	HCl	Hydrogen chloride	1Σ	C∞v
108	HCl-	hydrogen chloride anion	2Σ	C∞v
109	HCl+	hydrogen chloride cation	2Π	C∞v
110	H2F+	dihydrogen fluoride cation	1A1	C2v
111	H2Cl+	dihydrogen monochloride cation	1A1	C2v
112	Ne	Neon atom	1S	Kh
113	NeH+	neon hydrogen cation	1Σ	C∞v
114	Li2	Lithium diatomic	1Σg	D∞v
115	Li2-	lithium diatomic anion	2Σu	D∞h
116	Li2+	lithium diatomic cation	2Σg	D∞h
117	NaLi	lithium sodium	1Σ	C∞v
118	NaLi-	lithium sodium anion	2Σ	C∞v
119	NaLi+	lithium sodium cation	2Σ	C∞v
120	Na2	Sodium diatomic	1Σg	D∞h
121	Na2-	sodium diatomic anion	2Σu	D∞h
122	Na2+	sodium diatomic cation	2Σg	D∞h
123	Be2-	Beryllium diatomic anion	2Πu	D∞h
124	Be2+	Beryllium diatomic cation	2Σu	D∞h
125	Mg2	Magnesium diatomic	1Σg	D∞h
126	Mg2-	magnesium diatomic anion	2ΠU	D∞h
127	Mg2+	magnesium diatomic cation	2Σu	D∞h
128	B2	Boron diatomic	3Σg	D∞h
129	B2	Boron diatomic	1Σg	D∞h
130	B2	Boron diatomic	5Σu	D∞h
131	B2-	Boron diatomic anion	4Σg	D∞h
132	BAl	Boron Aluminum	3Σ	C∞v
133	B2H6	Diborane	1Ag	D2h
134	BC-	boron monocarbide anion	1Σg+	C∞v
135	BC+	boron monocarbide cation	3Σ	C∞v
136	BC+	boron monocarbide cation	1Σ	C∞v
137	AlC	Aluminum carbide	4Σ	C∞v
138	C2	Carbon diatomic	1Σg+	D∞h
139	C2	Carbon diatomic	3Πu	D∞h
140	C2-	carbon diatomic anion	2Σg	D∞h
141	C2+	carbon diatomic cation	2Π	D∞h
142	SiC	silicon monocarbide	3Σ	C∞v
143	SiC	silicon monocarbide	1Σ	C∞v
144	Si2	Silicon diatomic	3Σg	D∞h
145	C2H	Ethynyl radical	2Σ	C∞v
146	C2H2	Acetylene	1Σg	D∞h
147	C2H2+	acetylene cation	2Πu	D∞h
148	CCH2	vinylidene	1A1	C2v
149	C2H3	vinyl	2A'	Cs
150	C2H4	Ethylene	1Ag	D2h
151	C2H5	Ethyl radical	2A'	Cs
152	C2H6	Ethane	1A1g	D3d
153	CH3SiH3	methyl silane	1A1	C3
154	Si2H6	disilane	1Eu	D3d
155	BeN-	Beryllium mononitride anion	1Σ	C∞v
156	BN-	boron nitride anion	2Σ	C∞v
157	BN	boron nitride	3Π	C∞v
158	BN	boron nitride	1Σ	C∞v
159	BN+	boron nitride cation	2Π	C∞v
160	AlN	Aluminum nitride	3Πi	C∞v
161	CN	Cyano radical	2Σ	C∞v
162	CN-	cyanide anion	1Σ	C∞v
163	CN+	Cyano cation	1Σ	C∞v
164	CP	Carbon monophosphide	2Σ	C∞v
165	SiN	Silicon nitride	2Σ	C∞v
166	SiP	Silicon monophosphide	2Π	C∞v
167	N2	Nitrogen diatomic	1Σg	D∞h
168	N2-	nitrogen diatomic anion	2Πg	D∞h
169	N2+	diatomic nitrogen cation	2Σg	D∞h
170	PN	Phosphorus mononitride	1Σ	C∞v
171	P2	Phosphorus diatomic	1Σg	D∞h
172	HNC	hydrogen isocyanide	1Σ	C∞v
173	HCN	Hydrogen cyanide	1Σ	C∞v
174	HCN+	hydrogen cyanide cation	2Π	C∞v
175	HCP	Phosphaethyne	1Σ	C∞v
176	HPO	Hydrogen phosphorus oxide	1A'	Cs
177	N2H2	(E)-diazene	1Ag	C2h
178	CH2NH	Methanimine	1A'	Cs
179	CH2PH	Phosphaethene	1A'	Cs
180	CH2NH2+	methyleneamine cation	1A1	C2v
181	N2H4	Hydrazine	1A	C2
182	P2H4	Diphosphine	1A	C2
183	CH3NH2	methyl amine	1A'	Cs
184	BH3PH3	borane phosphine
185	LiO	lithium oxide	2Σ	C∞v
186	LiO-	lithium oxide anion	1Σ	C∞v
187	LiO+	lithium oxide cation	3Σ	C∞v
188	LiO+	lithium oxide cation	1Σ	C∞v
189	LiS	Lithium monosulfide	2Π	C∞v
190	NaO	sodium monoxide	2Σ	C∞v
191	NaO-	sodium oxide anion	1Σ	C∞v
192	NaO+	sodium oxide cation	3Σ	C∞v
193	BeO	beryllium oxide	1Σ	C∞v
194	BeO-	Beryllium monoxide anion	2Σ	C∞v
195	BeO+	Beryllium monoxide cation	2Π	C∞v
196	BeS	beryllium sulfide	1Σ	C∞v
197	MgO	magnesium oxide	1Σ+	C∞v
198	MgO-	magnesium oxide anion	2Σ	C∞v
199	MgO+	magnesium oxide cation	2Π	C∞v
200	MgS	magnesium sulfide	1Σ	C∞v
201	CaS	Calcium sulfide	1Σ	C∞v
202	BO	boron monoxide	2Σ	C∞v
203	BO-	boron monoxide anion	1Σ	C∞v
204	AlO	Aluminum monoxide	2Σ	C∞v
205	BS	boron sulfide	2Σ	C∞v
206	AlS	Aluminum sulfide	2Σ	C∞v
207	BO+	boron monoxide cation	1Σ	C∞v
208	CO	Carbon monoxide	1Σ	C∞v
209	CO-	carbon monoxide anion	2Π	C∞v
210	CO+	carbon monoxide cation	2Σ	C∞v
211	CS	carbon monosulfide	1Σ	C∞v
212	SiO	Silicon monoxide	1Σ	C∞v
213	SiS	silicon monosulfide	1Σ	C∞v
214	GeO	Germanium monoxide	1Σ	C∞v
215	SiSe	Silicon Monoselenide
216	NO	Nitric oxide	2Π	C∞v
217	NO-	nitric oxide anion	3Σ	C∞v
218	NO-	nitric oxide anion	1Δ	C∞v
219	NO+	nitric oxide cation	1Σ	C∞v
220	NS	Mononitrogen monosulfide	2Π	C∞v
221	PO	Phosphorus monoxide	2Π	C∞v
222	PS	phosphorus sulfide	2Σ	C∞v
223	O2	Oxygen diatomic	3Σg	D∞h
224	O2-	oxygen diatomic anion	2Π	D∞h
225	O2+	diatomic oxygen cation	2Πg	D∞h
226	SO	Sulfur monoxide	3Σ	C∞v
227	SO	Sulfur monoxide	1Σ	C∞v
228	SO+	sulfur monoxide cation	2Π	C∞v
229	S2	Sulfur diatomic	3Σg	D∞h
230	S2+	sulfur diatomic cation	2Π	D∞h
231	Se2	Selenium diatomic	3Σg	D∞h
232	LiOH	lithium hydroxide	1Σ	C∞v
233	NaOH	sodium hydroxide	1Σ	C∞v
234	BeOH	beryllium monohydroxide	2A'	Cs
235	MgOH	magnesium hydroxide	2A'	Cs
236	HBO	Boron hydride oxide	1Σ	C∞v
237	HBS	hydrogen boron sulfide	1Σ	C∞v
238	HCO	Formyl radical	2A'	Cs
239	HCS	Thioformyl radical	2A'	Cs
240	HNO	Nitrosyl hydride	1A'	Cs
241	HO2	Hydroperoxy radical	2A"	Cs
242	HSO+	Sulfur Monoxide, S-protonated
243	SOH	Sulfur Hydroxide
244	SOH+	Sulfur Monoxide, protonated
245	H2CO	Formaldehyde	1A1	C2v
246	H2CO+	formaldehyde cation	2B2	C2v
247	H2CS	Thioformaldehyde	1A1	C2v
248	H2CSe	Selenoformaldehyde
249	H2O2	Hydrogen peroxide	1A	C2
250	H2S2	Disulfane	1A	C2
251	H2S2+	hydrogen disulfide cation	2Bg	C2h
252	CH2OH	Hydroxymethyl radical	2A	C1
253	CH2OH+	hydroxymethyl cation	1A'	Cs
254	CH3O	Methoxy radical	2A'	C1
255	CH3S	thiomethoxy	2A'	C3v
256	H2CSH+	Thioformaldehyde, protonated	1A'	Cs
257	NH2OH	hydroxylamine	1A'	Cs
258	H2POH	Phosphinous acid	1A1'	CS trans
259	H2POH	Phosphinous acid	1A1'	CS cis
260	H3PO	Phosphine oxide	1A1	C3v
261	CH3OH	Methyl alcohol	1A'	Cs
262	CH3SH	Methanethiol	1A'	Cs
263	H2OH2O	water dimer	1A'	Cs
264	CH3SH2+	protonated methylsulfide	1A'	Cs
265	LiF	lithium fluoride	1Σ	C∞v
266	LiCl	lithium chloride	1Σ	C∞v
267	LiCl-	lithium chloride anion	2Σ	C∞v
268	LiCl+	lithium chloride cation	2Π	C∞v
269	NaF	sodium fluoride	1Σ	C∞v
270	NaF-	sodium fluoride anion	2Σ	C∞v
271	NaF+	sodium fluoride cation	2Σ	C∞v
272	NaCl	Sodium Chloride	1Σ	C∞v
273	NaCl-	sodium chloride anion	2Σ	C∞v
274	NaCl+	sodium chloride cation	2Π	C∞v
275	LiF-	lithium fluoride anion	2Σ	C∞v
276	LiF+	lithium fluoride cation	2Π	C∞v
277	BeF	Beryllium monofluoride	2Σ	C∞v
278	BeF-	Beryllium monofluoride anion	1Σ	C∞v
279	BeF+	Beryllium monofluoride cation	1Σ	C∞v
280	BeCl	beryllium monochloride	2Σ	C∞v
281	MgF	Magnesium monofluoride	2Σ	C∞v
282	MgF-	magnesium fluoride anion	1Σ	C∞v
283	MgF+	magnesium fluoride cation	1Σ	C∞v
284	MgCl	magnesium monochloride	2Σ	C∞v
285	MgCl-	magnesium monochloride anion	1Σ	C∞v
286	MgCl+	magnesium monochloride cation	1Σ	C∞v
287	BeCl-	beryllium monochloride anion	1Σ	C∞v
288	BeCl+	beryllium monochloride cation	1Σ	C∞v
289	BF	Boron monofluoride	1Σ	C∞v
290	BF-	Boron monofluoride anion	2Π	C∞v
291	BF+	Boron monofluoride cation	2Σ	C∞v
292	AlF	Aluminum monofluoride	1Σ+	C∞v
293	BCl	boron monochloride	1Σ	C∞v
294	BCl-	boron monochloride anion	2Π	C∞v
295	BCl+	boron monochloride cation	2Σ	C∞v
296	AlCl	Aluminum monochloride	1Σ	C∞v
297	AlCl-	aluminum monochloride anion	2Π	C∞v
298	AlCl+	aluminum monochloride cation	2Σ	C∞v
299	CF	Fluoromethylidyne	2Π	C∞v
300	CF-	carbon monofluoride anion	3Σ	C∞v
301	CF-	carbon monofluoride anion	1Σ	C∞v
302	CF+	carbon monofluoride cation	1Σ	C∞v
303	CCl	carbon monochloride	2Π	C∞v
304	CCl-	carbon monochloride anion	3Σ	C∞v
305	CCl+	carbon monochloride cation	1Σ	C∞v
306	SiF	silicon monofluoride	2Π	C∞v
307	SiF+	silicon monofluoride cation	1Σ	C∞v
308	SiCl	Clorosilylidyne	2Π	C∞v
309	SiCl-	silicon monochloride anion	3Σ	C∞v
310	SiCl+	silicon monochloride cation	1Σ	C∞v
311	NF	nitrogen fluoride	3Σ	C∞v
312	NF	nitrogen fluoride	1Σ	C∞v
313	NF-	nitrogen monofluorine anion	2Π	C∞v
314	NF+	nitrogen monofluoirde cation	2Π	C∞v
315	NCl	nitrogen monochloride	3Σ	C∞v
316	NCl-	nitrogen monochloride anion	2Π	C∞v
317	NCl+	nitrogen monochloride cation	2Π	C∞v
318	PF	phosphorus monofluoride	3Σ	C∞v
319	PCl	phosphorus chloride	3Σ	C∞v
320	PCl-	phosphorus monochloride anion	2Π	C∞v
321	PCl+	phosphorus monochloride cation	2Π	C∞v
322	FO	Oxygen monofluoride	2Π	C∞v
323	FO-	flourine oxide anion	1Σ	C∞v
324	FO+	fluorine monoxide cation	3Σ	C∞v
325	ClO	Monochlorine monoxide	2Π	C∞v
326	ClO+	chlorine monoxide cation	3Σ	C∞v
327	SF	Monosulfur monofluoride	2Π	C∞v
328	SF+	sulfur monofluoride cation	3Σ	C∞v
329	SCl	sulfur monochloride	2Π	C∞v
330	SCl-	sulfur monochloride anion	1Σ	C∞v
331	SCl+	sulfur monochloride cation	3Σg	C∞v
332	SBr	Sulfur monobromide radical
333	F2	Fluorine diatomic	1Σg	D∞h
334	F2-	flourine diatomic anion	2Σu	D∞h
335	F2+	flourine diatomic cation	2Πg	D∞h
336	ClF	Chlorine monofluoride	1Σ+	C∞v
337	ClF-	clorine monofluoride anion	2Σ	C∞v
338	ClF+	clorine monofluoride cation	2Π	C∞v
339	Cl2	Chlorine diatomic	1Σg	D∞h
340	Cl2-	chlorine diatomic anion	2Σu	D∞h
341	Cl2+	chlorine diatomic cation	2Πg	D∞h
342	HCF	Fluoromethylene	1A'	Cs
343	HOF	Hypofluorous acid	1A'	Cs
344	HOCl	hypochlorous acid	1A'	Cs
345	CH2Cl	chloromethyl radical	2A'	Cs
346	H2F2	Hydrogen fluoride dimer	1Ag	Cs
347	CH3F	Methyl fluoride	1A1	C3v
348	CH3Cl	Methyl chloride	1A1	C3v
349	SiH3F	monofluorosilane	1A1	C3v
350	SiH3Cl	chlorosilane	1A1	C1
351	C3	carbon trimer	1Σg	D∞h
352	C3H3	Propargyl radical	2B1	Cs
353	CH2CCH2	allene	1A1	D2d
354	CH3CCH	propyne	1A'	C3v
355	C3H6	Cyclopropane	1A1'	D3h
356	CH2CHCH3	Propene	1A'	Cs
357	C3H7	n-Propyl radical	2A"	C1
358	C3H8	Propane	1A1	C2v
359	SiH2(CH3)2	dimethylsilane	1A1	C2v
360	Si3H8	trisilane
361	HN3	hydrogen azide	1A'	Cs
362	CH2NN	diazomethane	1A1	C2v
363	CH3CN	Acetonitrile	1A1	C3v
364	CH3NC	methyl isocyanide	1A1	C3v
365	NHCHNH2	aminomethanimine	1A	C1
366	C2H5N	Aziridine	1A'	C1
367	CH3CH2NH2	Ethylamine	1A'	Cs
368	CH3NHCH3	Dimethylamine	1A'	Cs
369	Li2O	dilithium oxide	1Σg	D∞h
370	Li2S	dilithium sulfide	1ΣG	D∞h
371	Li2S	dilithium sulfide	1A1	C2v
372	BO2	Boron dioxide	2A'	D∞h
373	N2O	Nitrous oxide	1Σ	C∞v
374	NNS	Nitrogen sulfide	1Σ	C∞v
375	CO2	Carbon dioxide	1Σg	D∞h
376	OCS	Carbonyl sulfide	1Σ	C∞v
377	SiO2	silicon dioxide	1Σg	D∞h
378	CS2	Carbon disulfide	1Σg	D∞h
379	SiS2	Silicon disulfide	1ΣG	D∞h
380	NO2	Nitrogen dioxide	2A1	C2v
381	NSO	sulfinyl amidogen
382	PO2	Phosphorus dioxide	2A1	C2v
383	SNO	Nitrogen oxide sulfide
384	O3	Ozone	1A1	Cs
385	SO2	Sulfur dioxide	1A1	C2v
386	SSO	Disulfur monoxide	1A'	Cs
387	S3	Sulfur trimer	1A1	C2v
388	S3	Sulfur trimer
389	S3-	Sulfur trimer anion	2B1	C2v
390	S3+	Sulfur trimer cation	2B2	C2v
391	HCCO	ketenyl radical	2A"	Cs
392	HCNO	fulminic acid	1Σ	C∞v
393	HNCO	Isocyanic acid	1A'	Cs
394	HOCN	cyanic acid	1A'	Cs
395	HCO2-	formate anion	1A1	C2v
396	HOCO	Hydrocarboxyl radical	1A'	cis
397	HOCO	Hydrocarboxyl radical	1A'	trans
398	HNO2	Nitrous acid	1A'	Cs
399	CH2CO	Ketene	1A1	C2v
400	HCCOH	ethynol	1A'	Cs
401	CH2CS	Thioketene
402	HCOOH	Formic acid	1A'	Cs
403	HSSSH	trisulfane	1A	C2
404	HSSSH	trisulfane	1A'	Cs
405	CH3CO	Acetyl radical	2A'	Cs
406	CHONH2	formamide	1A'	Planar
407	CH3OO	methylperoxy radical	2A"	Cs
408	C2H4O	Ethylene oxide	1A1	C2v
409	CH2CHOH	ethenol	1A'	Cs
410	CH3CHO	Acetaldehyde	1A'	Cs
411	C2H4S	Thiirane	1A1	C2v
412	CH3CHS	Thioacetaldehyde	1A'	C1
413	CH3OOH	Methyl peroxide	1A	C1
414	CH3SSH	Hydrogen methyl disulfide
415	CH3CH2OH	Ethanol	1A'	Cs
416	CH3OCH3	Dimethyl ether	1A1	C2v
417	CH3CH2SH	ethanethiol	1A'	Cs
418	CH3SCH3	Dimethyl sulfide	1A1	C2v
419	FCN	Cyanogen fluoride	1Σ	C∞v
420	ClCN	chlorocyanogen	1Σ	C∞v
421	MgCl2	Magnesium dichloride	1Σg	C2v
422	FNO	Nitrosyl fluoride	1A'	Cs
423	ClNO	Nitrosyl chloride	1A'	Cs
424	FNS	Thionitrosyl fluoride	1A'	Cs
425	FSN	Thiazyl fluoride	1A'	Cs
426	OPCl	Phosphorus oxychloride
427	CF2	Difluoromethylene	1A1	D∞h
428	CCl2	dichloromethylene	1A1	C2v
429	SiCl2	Dichlorosilylene	1A1	C2v
430	GeCl2	Germanium dichloride	1A1	C2v
431	FOO	Dioxygen monofluoride radical	2A"	Cs
432	ClOO	chloroperoxy radical	2A"	Cs
433	OClO	Chlorine dioxide	2B1	D∞h
434	ClSO	Sulfur chloride oxide	2A"	Cs
435	ClS2	Sulfur chloride	2A"	Cs
436	NF2	Difluoroamino radical	2B1	C2v
437	FClO	chlorosyl fluoride	1A'	Cs
438	F2O	Difluorine monoxide	1A1	C2v
439	ClOF	Chlorine hypofluorite	1A'	Cs
440	SF2	sulfur difluoride	1A1	C2v
441	Cl2O	Dichlorine monoxide	1A1	C2v
442	SCl2	Sulfur dichloride	1A1	C2v
443	SeCl2	Selenium Dichloride
444	SBr2	Sulfur dibromide
445	SeBr2	Selenium dibromide
446	HCCF	Fluoroacetylene	1Σ	C∞v
447	BHF2	Difluoroborane	1A1	C2v
448	BHCl2	Borane, dichloro-	1A1	C2v
449	CH2F2	Methane, difluoro-	1A1	C2v
450	CH2FCl	fluorochloromethane	1A'	Cs
451	CH2Cl2	Methylene chloride	1A1	C2v
452	SiH2Cl2	dichlorosilane	1A1	C2v
453	CH2CHF	Ethene, fluoro-	1A'	Cs
454	C2H3Cl	Ethene, chloro-	1A'	Cs
455	C2H5F	fluoroethane	1A'	Cs
456	C4	Carbon tetramer	3Σg	D∞h
457	C4H2	Diacetylene	1Σg	D∞h
458	C2H3CCH	1-Buten-3-yne	1A'	C1
459	H2CCCCH2	Butatriene	1Ag	D2h
460	C4H6	1-Methylcyclopropene	1A	C1
461	C4H6	Cyclobutene	1A1	C2v
462	C4H6	Methylenecyclopropane	1A1	C2v
463	CH2CCHCH3	1,2-Butadiene	1A'	C1
464	CH2CHCHCH2	1,3-Butadiene	1Ag	C2h
465	CH3CCCH3	2-Butyne	1A1'	D3h
466	CH2C(CH3)CH3	1-Propene, 2-methyl-	1A1	C2v
467	CH3CHCHCH3	2-Butene, (E)-	1Ag	C2h
468	CH3CHCHCH3	2-Butene, (Z)-	1A1	C2v
469	C(CH3)3	Tert-butyl radical	2A"	C3v
470	CH2CH(CH3)2	Isobutyl radical	2A'	C1
471	CH3CHCH2CH3	2-Butyl radical	1A	C1
472	CH3CH(CH3)CH3	Isobutane	1A1	C3v
473	CH3CH2CH2CH3	Butane	1Ag	Anti
474	SiH(CH3)3	trimethylsilane	1A1	C3v
475	C2N2	Cyanogen	1Σg	D∞h
476	P4	Phosphorus tetramer	1A1	Td
477	HCCCN	Cyanoacetylene	1Σ	C∞v
478	C3H3N	acrylonitrile	1A'	Cs
479	C3H7N	Cyclopropylamine	1A'	C1
480	C4H8	cyclobutane	1A1	D2d
481	CH3CH(NH2)CH3	2-Propanamine	1A'	Cs
482	N(CH3)3	Trimethylamine	1A1	C3v
483	B2O2	Diboron dioxide	1Σg	D∞h
484	S2N2	Disulfur dinitride	1AG	D2h
485	CO3--	carbonate	1A1'	D3h
486	CS3--	Carbonotrithioate
487	NO3	Nitrogen trioxide	2A1'	all bonds equal
488	SO3	Sulfur trioxide	1A1'	D3h
489	S4	Sulfur tetramer
490	S4	Sulfur tetramer
491	S4	Sulfur tetramer
492	HNO3	Nitric acid	1A'	Cs
493	C2H2O2	Ethanedial	1Ag	C2h
494	CH3COO-	acetate anion	1A'	eclipsed
495	CH3NO2	Methane, nitro-	1A'	Cs
496	CH3ONO	Methyl nitrite	1A'	C1
497	H3AlO3	Aluminum hydroxide
498	C3H4O	allenol	1A'	Cs
499	C3H4O	Cyclopropanone	1A1	C2v
500	CH2CHCHO	Acrolein	1A'	Cs
501	NH2CONH2	Urea	1A	C2
502	NH2CSNH2	Thiourea	1A	C2
503	CH3COOH	Acetic acid	1A'	Cs
504	CH3OCHO	methyl formate	1A'	Cs
505	CHOCH2OH	hydroxy acetaldehyde	1A'	CS H in
506	CH3CHNOH	Acetaldoxime	1A'	CS trans
507	CH3CONH2	Acetamide	1A'	C1
508	CH3CSNH2	Ethanethioamide
509	C3H6O	Propylene oxide	1A	C1
510	CH3CH2CHO	Propanal	1A'	Cs
511	CH3COCH3	Acetone	1A1	C2v
512	C3H6S	Thietane	1A'	Cs
513	C2H6O2	1,2-Ethanediol	1Ag	C2h
514	CH3SSCH3	Disulfide, dimethyl	1A	C2
515	CH3CHOHCH3	Isopropyl alcohol	1A	C1
516	CH3OC2H5	Ethane, methoxy-	1A'	Cs
517	C2F2	difluoroacetylene	1Σg	D∞h
518	C2Cl2	dichloroacetylene	1Σg	C2h
519	ClNO2	Nitryl chloride	1A1	C2v
520	N2F2	(Z)-Difluorodiazene	1A1	C2v
521	N2F2	Dinitrogen difluoride, (E)-	1Ag	C2h
522	CF2O	Carbonic difluoride	1A1	C2v
523	CCl2O	Phosgene	1A1	C2v
524	Cl2CS	Thiophosgene	1A1	C2v
525	BF3	Borane, trifluoro-	1A'	D3h
526	AlF3	Aluminum trifluoride	1A1'	D3h
527	AlF2Cl	Aluminum chloride difluoride	1A1	C2v
528	AlFCl2	Aluminum dichloride fluoride	1A1	C2v
529	BCl3	Borane, trichloro-	1A1'	D3h
530	AlCl3	Aluminum trichloride	1A1'	D3h
531	ClO3-	chlorate anion	1A1	C3v
532	CF3	Trifluoromethyl radical	2A1	C3v
533	SiF3	Silicon trifluoride radical	2A1	C3v
534	SiCl3	trichlorosilyl radical	2A1	C3v
535	SiCl3+	trichlorosilyl cation	1A1'	D3h
536	ClO2F	Chloryl fluoride	1A'	Cs
537	F2SO	Thionyl Fluoride	1A'	Cs
538	FSSF	Difluorodisulfane	1A	C2
539	S2F2	Thio-thionyl fluoride	1A'	Cs
540	SOCl2	thionyl chloride	1A'	Cs
541	SSCl2	Thiothionyl chloride
542	NF3	Nitrogen trifluoride	1A1	C3v
543	PF3	Phosphorus trifluoride	1A1	C3v
544	NCl3	nitrogen trichloride	1A1	C3v
545	PCl3	Phosphorus trichloride	1A1	C3v
546	ClSSCl	Disulfur dichloride	1A	C2
547	SF3	Sulfur trifluoride	2A'	Cs
548	ClF3	Chlorine trifluoride	1A1'	D3h
549	ClF3	Chlorine trifluoride	1A1	C2v
550	HClO3	Chloric Acid	1A	C1
551	CHF3	Methane, trifluoro-	1A1	C3v
552	CHF2Cl	difluorochloromethane	1A'	Cs
553	CHFCl2	fluorodichloromethane	1A'	Cs
554	CHCl3	Chloroform	1A1	C3v
555	SiHCl3	Trichlorosilane	1A1	C3v
556	CH2CF2	Ethene, 1,1-difluoro-	1A1	C2v
557	CH2CCl2	Ethene, 1,1-dichloro-	1A1	C2v
558	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	1Ag	C2h
559	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	1A1	C2v
560	CH3COF	Acetyl fluoride	1A'	NULL
561	CH3COCl	Acetyl Chloride	1A'	Cs
562	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
563	C5H5-	cylopentadienyl anion	1A1'	D5h
564	C5H6	1-Buten-3-yne, 2-methyl-	1A'	Cs
565	C5H6	Cyclopropylacetylene	1A'	C1
566	C5H8	1,3-Pentadiene, (Z)-	1A'	Cs
567	C5H8	1,4-Pentadiene	1A	C2
568	C5H8	Cyclobutane, methylene-	1A'	Cs
569	C5H8	Cyclopentene	1A'	Cs
570	CH2CHCH2CH2CH3	1-pentene	1A	C1
571	C5H12	Butane, 2-methyl-	1A	C1
572	C5H12	Pentane	1A1	C2v
573	C5H12	Propane, 2,2-dimethyl-	1A1	Td
574	Si(CH3)4	tetramethylsilane	1A1	Td
575	N2O3	Dinitrogen trioxide	1A'	Cs
576	C3H2N2	Malononitrile	1A1	Cs
577	C3H4N2	1H-Imidazole	1A'	Cs
578	C3H4N2	1H-Pyrazole	1A'	Cs
579	C4H5N	(E)-2-Butenenitrile	1A'	Cs
580	C4H5N	(Z)-2-Butenenitrile	1A'	Cs
581	C4H5N	Cyclopropanecarbonitrile	1A'	Cs
582	C4H5N	Pyrrole	1A1	C2v
583	C5H8	Bicyclo[2.1.0]pentane	1A'	Cs
584	C4H9N	Cyclobutylamine	1A'	Cs
585	C4H9N	Pyrrolidine	1A'	Cs
586	CH3C(NH2)HCH2CH3	2-Butanamine	1A	C1
587	C3O2	Carbon suboxide	1ΣG	D∞h
588	PO4---	phosphate	1A1	Td
589	SO4--	sulfate	1A1	Td
590	H2SO4	Sulfuric acid	1A	C1
591	C3H3NO	Isoxazole	1A'	Cs
592	CH3NO3	Methyl nitrate	1A'	Cs
593	C4H4O	Furan	1A1	C2
594	C4H4S	Thiophene	1A1	C2v
595	C3H4O2	β–Propiolactone	1A'	Cs
596	C3H4O2	2-Propenoic acid	1A'	Cs
597	C3H4O2	propanedial	1A	C1
598	C3H4O2	propenalol	1A'	Cs
599	CH2CHCONH2	Acrylamide	1A	Cs
600	CH3OCH2CN	Methoxyacetonitrile	1A	C1
601	H2NCH2COOH	Glycine	1A'	Cs
602	C4H6O	cis-2-butenal	1A	Cs
603	C4H6O	Cyclobutanone	1A1	C2v
604	C4H6O	Furan, 2,3-dihydro-	1A	C1
605	C4H6O	Furan, 2,5-dihydro-	1A1	Cs
606	CHOCHCHCH3	2-Butenal	1A'	Cs
607	C3H6O2	1,3-Dioxolane	1A	C1
608	CH3COOCH3	methyl acetate	1A'	Cs
609	C2H6O2S	Dimethyl sulfone	1A1	C2v
610	C3H7NO	Propanamide	1A'	C1
611	C4H8O	Cyclobutanol	1A'	C1
612	CH3COCH2CH3	2-Butanone	1A	C1
613	CHOCH2CH2CH3	Butanal	1A'	Cs
614	C4H10O	2-Butanol, (.+/-.)-	1A	C1
615	C4H10O	Ethoxy ethane	1A1	C2v
616	FNO3	Fluorine nitrate	1A'	Cs
617	ClO4-	perchlorate anion	1A1	Td
618	BF4-	tetrafluoroboron anion	1A1	Td
619	ClFO3	Perchloryl fluoride	1A1	Cs
620	SO2Cl2	Sulfuryl chloride	1A1	C2v
621	F3NO	Nitrogen trifluoride oxide	1A1	C3v
622	F3PO	Phosphoryl fluoride	1A1	C3v
623	Cl3PO	Phosphoryl chloride	1A1	C3v
624	CF4	Carbon tetrafluoride	1A1	Td
625	CF3Cl	Methane, chlorotrifluoro-	1A1	C3v
626	SiF4	Silicon tetrafluoride	1A1	Td
627	CF2Cl2	difluorodichloromethane	1A1	C2v
628	CFCl3	Trichloromonofluoromethane	1A1	C3v
629	CCl4	Carbon tetrachloride	1A1	Td
630	SiCl4	Silane, tetrachloro-	1A1	Td
631	SF4	Sulfur tetrafluoride	1A1	C2v
632	CHClCCl2	Trichloroethylene	1A'	Cs
633	HClO4	perchloric acid	1A	Cs
634	CH3CF3	Ethane, 1,1,1-trifluoro-	1A1	C3v
635	CH2ClCHCl2	1,1,2-trichloroethane	1A	C1
636	SiH3CCl3	(trichloromethyl)silane	1A1	C3v
637	C6H5	phenyl	2A1	C2v
638	C6H6	Benzene	1A1g	D6h
639	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	1Ag	D2h
640	C6H10	cyclohexene	1A	C2
641	C6H14	Butane, 2,3-dimethyl-	1Ag	C2h
642	C4N2	2-Butynedinitrile	1Σg	D∞h
643	C3H3N3	1,3,5-Triazine	1A1'	D3h
644	CH3N5	5-Aminotetrazole	1A	C1
645	C4H4N2	1,3-Diazine	1A1	C2v
646	C4H4N2	Pyrazine	1Ag	D2h
647	C4H4N2	Pyridazine	1A1	C2v
648	C4H4N2	Succinonitrile	1Ag	C2h
649	C2H4N4	1H-Tetrazole, 1-methyl-	1A'	Cs
650	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	1A'	Cs
651	C5H5N	Pyridine	1A1	C2v
652	C6H6	Fulvene	1A1	C2v
653	N2O4	Dinitrogen tetroxide	1Ag	D2d
654	C2H3NO3	Oxamic acid	1A'	H out
655	C2H4N2O2	Oxalamide	1Ag	C2h
656	C3H6O3	1,3,5-Trioxane	1A1	C1
657	C4H7NO	2-Pyrrolidinone	1A	C1
658	CH3CH(NH2)COOH	Alanine	1A	C1
659	CH3NHCH2COOH	Sarcosine	1A	C1
660	NH2CH2CH2COOH	β–alanine	1A	C1
661	C5H10O	2-Pentanone	1A	C1
662	C4H10O2	1,3-Butanediol	1A	C1
663	C4H10O2	1,4-Butanediol	1Ag	C2h
664	C5H12O	Butane, 1-methoxy-	1A'	Cs
665	CF3CN	Acetonitrile, trifluoro-	1A1	C3v
666	B2F4	Diboron tetrafluoride	1AG	D2h
667	B2Cl4	Diboron tetrachloride	1A1	D2
668	C2F4	Tetrafluoroethylene	1Ag	D2h
669	C2Cl4	Tetrachloroethylene	1Ag	D2h
670	CF3OF	Trifluoromethylhypofluorite	1A'	Cs
671	SiF5-	silicon pentafluoride anion
672	SOF4	Sulfur tetrafluoride oxide	1A1	C2v
673	PF5	Phosphorus pentafluoride	1A1'	D3h
674	PCl5	Phosphorus pentachloride	1A1'	C4v
675	ClF5	chlorinepentafluoride	1A1	C4v
676	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
677	C6H5CH2	benzyl radical	2B1	Cs
678	C7H16	heptane	1A1	C2v
679	C6H5NH2	aniline	1A'	Cs
680	C6H5OH	phenol	1A'	Cs
681	C6H10O	cyclohexanone	1A'	Cs
682	PF6-	Hexafluorophosphate ion	1A1G	Oh
683	SF6	Sulfur Hexafluoride	1A1G	Oh
684	SF5Cl	sulfur chloropentafluoride	1A1	C4v
685	C6H5F	Fluorobenzene	1A1	C2v
686	C6H5CCH	phenylacetylene	1A1	C2v
687	C6H5CHCH2	Styrene	1A'	Cs
688	C8H8	cubane	1A1G	Oh
689	C8H8	cyclooctatetraene	1A1	D2d
690	C6H5CH2CH3	Ethylbenzene	1A'	Cs
691	S8	Octasulfur	1A1	D4d
692	C6H5CHO	benzaldehyde	1A'	Cs
693	C6H5OCH3	Anisole	1A'	Cs
694	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	1AG	D2h
695	C2F6	hexafluoroethane	1A1g	D3d
696	C6H5COOH	benzoic acid	1A'	Cs
697	C10H8	naphthalene	1Ag	D2h

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	Li-	Lithium atom anion	li-
9	Li+	Lithium atom cation	li+
10	Na-	Sodium atom anion	na-
11	K	Potassium atom	k
12	K-	Potassium atom anion	k-
13	K+	Potassium atom cation	k+
14	Cu	Copper atom	cu
15	Cu-	Copper atom anion	cu-
16	Cu+	Copper atom cation	cu+
17	KH	Potassium hydride	kh
18	KH+	Potassium hydrogen cation	kh+
19	CuH	Copper monohydride	cuh
20	Be-	Beryllium atom anion	be-
21	Be+	Beryllium atom cation	be+
22	Mg-	Magnesium atom anion	mg-
23	Mg+	Magnesium atom cation	mg+
24	Ca	Calcium atom	ca
25	Ca-	Calcium atom anion	ca-
26	Ca+	Calcium atom cation	ca+
27	Zn	Zinc atom	zn
28	Zn-	Zinc atom anion	zn-
29	Zn+	Zinc atom cation	zn+
30	CaH	Calcium monohydride	cah
31	CaH+	Calcium monohydride cation	cah+
32	TiH	Titanium monohydride	tih
33	ZnH	Zinc monohydride	znh
34	ZnH+	Zinc, protonated	znh+
35	BeH2+	Beryllium dihydride cation	beh2+
36	CaH2	Calcium Hydride	cah2
37	ZnH2	Zinc hydride	znh2
38	B-	Boron atom anion	b-
39	B+	Boron atom cation	b+
40	Al-	Aluminum atom anion	al-
41	Al+	Aluminum atom cation	al+
42	Sc	Scandium atom	sc
43	Sc+	Scandium cation	sc+
44	Ga	Gallium atom	ga
45	Ga-	Gallium atom anion	ga-
46	Ga+	Gallium atom cation	ga+
47	AlH-	aluminum monohydride anion	alh-
48	AlH+	aluminum monohydride cation	alh+
49	ScH	Scandium monohydride	sch
50	ScH+	Scandium monohydride cation	sch+
51	GaH	Gallium monohydride	gah
52	GaH+	Gallium monohydride cation	gah+
53	BH2-	boron dihydride anion	bh2-
54	BH2+	Boron dihydride cation	bh2+
55	AlH2-	aluminum dihydride anion	alh2-
56	AlH2+	aluminum dihydride cation	alh2+
57	BH3-	boron trihydride anion	bh3-
58	BH3+	boron trihydride cation	bh3+
59	AlH3-	aluminum trihydride anion	alh3-
60	AlH3+	aluminum trihydride cation	alh3+
61	ScH3	Scandium trihydride	sch3
62	GaH3	Gallium trihydride	gah3
63	BH4	borohydride	bh4
64	C-	Carbon atom anion	c-
65	C+	Carbon atom cation	c+
66	Si-	Silicon atom anion	si-
67	Si+	Silicon atom cation	si+
68	Ti	Titanium atom	ti
69	Ti-	Titanium atom anion	ti-
70	Ti+	Titanium atom cation	ti+
71	Ge	Germanium atom	ge
72	Ge-	Germanium anion	ge-
73	Ge+	Germanium cation	ge+
74	Sn	Tin atom	sn
75	Sn+	Tin cation	sn+
76	SiH-	silicon monohydride anion	sih-
77	SiH+	silicon monohydride cation	sih+
78	GeH	germylidene	geh
79	GeH+	Germaniun monohyrdide cation	geh+
80	SiH2-	silicon dihydride anion	sih2-
81	SiH2+	silicon dihydride cation	sih2+
82	GeH2	germylene	geh2
83	GeH2-	germylene anion	geh2-
84	SiH3-	Silyl anion	sih3-
85	GeH3	Germyl radical	geh3
86	GeH3+	germyl cation	geh3+
87	CD4	methane-d4	cd4
88	CH2D2	methane-d2	ch2d2
89	CH3D	methane-d	ch3d
90	CH4-	Methane anion	ch4-
91	CH4+	Methane cation	ch4+
92	CHD3	methane-d3	chd3
93	SiH2D2	silane-d2	sih2d2
94	SiH4+	Silane cation	sih4+
95	GeH4	Germane	geh4
96	SnH4	Stannane	snh4
97	SiH5+	Silane, protonated	sih5+
98	N	Nitrogen atom	n
99	N-	Nitrogen atom anion	n-
100	N+	Nitrogen atom cation	n+
101	P-	Phosphorus atom anion	p-
102	P+	Phosphorus atom cation	p+
103	V	Vanadium atom	v
104	V+	Vanadium atom cation	v+
105	As	Arsenic atomic	as
106	As-	Arsenic anion	as-
107	As+	Arsenic cation	as+
108	Sb	Antimony atom	sb
109	PH-	phosphorus monohydride anion	ph-
110	PH+	phosphorus monohydride cation	ph+
111	AsH	Arsenic monohydride	ash
112	AsH+	Arsenic monohydride cation	ash+
113	SbH	Antimony monohydride	sbh
114	NH2+	Amino cation	nh2+
115	PH2-	Phosphino anion	ph2-
116	PH2+	Phosphino cation	ph2+
117	AsH2	Arsenic dihydride	ash2
118	AsH2+	Arsenic dihydride cation	ash2+
119	NH3-	Ammonia anion	nh3-
120	PH3+	Phosphine cation	ph3+
121	AsH3	Arsine	ash3
122	AsH3+	Arsine cation	ash3+
123	SbH3	Stibine	sbh3
124	AsH4+	Arsonium	ash4+
125	NH4	Ammonium radical	nh4
126	PH4	Phosphoranyl radical	ph4
127	O-	Oxygen atom anion	o-
128	O+	Oxygen atom cation	o+
129	S-	Sulfur atom anion	s-
130	S+	Sulfur atom cation	s+
131	Cr	Chromium atom	cr
132	Se	Selenium atom	se
133	Se-	Selenium atom anion	se-
134	Se+	Selenium atom cation	se+
135	Te	Tellurium atom	te
136	Te+	Tellurium atom cation	te+
137	CrH	Chromium hydride	crh
138	CrH+	Chromium hydride cation	crh+
139	HSe	Selenium monohydride	hse
140	HSe-	selenium monohydride anion	hse-
141	HSe+	selenium monohydride cation	hse+
142	TeH	Telluryl radical	teh
143	H2S-	Hydrogen sulfide anion	h2s-
144	H2Se	Hydrogen selenide	h2se
145	H2Se+	Hydrogen selenide cation	h2se+
146	H2Te	Hydrogen Telluride	h2te
147	H3Se+	Hydrogen Selenide, protonated	h3se+
148	F-	Fluorine atom anion	f-
149	F+	Fluorine atom cation	f+
150	Cl-	Chlorine atom anion	cl-
151	Cl+	Chlorine atom cation	cl+
152	Mn	Manganese atom	mn
153	Br	Bromine atom	br
154	Br-	Bromine atom anion	br-
155	Br+	Bromine atom cation	br+
156	I	Iodine atom	iodine
157	I-	Iodine atom anion	iodine-
158	I+	Iodine atom cation	iodine+
159	DCl	Hydrochloric acid-d	dcl
160	HBr	hydrogen bromide	hbr
161	HBr-	hydrogen bromide anion	hbr-
162	HBr+	hydrogen bromide cation	hbr+
163	HI	Hydrogen iodide	hi
164	HI+	Hydrogen iodide cation	hi+
165	H2Br+	protonated hydrogen bromide	h2br+
166	H2I+	Iodonium	h2i+
167	Ne-	Neon atom anion	ne-
168	Ne+	Neon atom cation	ne+
169	Ar	Argon atom	ar
170	Ar-	Argon atom anion	ar-
171	Ar+	Argon atom cation	ar+
172	Fe	Iron atom	fe
173	Kr	Krypton atom	kr
174	Kr+	Krypton cation	kr+
175	Xe	Xenon atom	xe
176	HeLi+	Helium Lithium cation	heli+
177	NeH	neon hydrogen	neh
178	ArH+	Argon hydride cation	arh+
179	KrH+	Protonated Krypton	krh+
180	XeH+	Xenon, protonated	xeh+
181	H2Ar	H2 Ar dimer	h2ar
182	Co	Cobalt atom	cobalt
183	Ni	Nickel atom	ni
184	LiK	Lithium Potassium	lik
185	NaK	Sodium Potassium	nak
186	NaK+	Sodium Potassium diatomic cation	nak+
187	K2	Potassium diatomic	k2
188	Cu2	Copper diatomic	cu2
189	LiBe	Lithium Beryllium	libe
190	LiMg	Lithium magnesium	limg
191	NaBe	Sodium Beryllium	nabe
192	NaMg	Sodium Magnesium	namg
193	Be2	Beryllium diatomic	be2
194	BeMg	Beryllium Magnesium	bemg
195	Ca2	Calcium diatomic	ca2
196	LiB	Lithium boride	lib
197	LiAl	Lithium Aluminum	lial
198	NaAl	Sodium aluminum	naal
199	BeB	Beryllium monoboride	beb
200	B2+	Boron diatomic cation	b2+
201	Al2	Aluminum diatomic	al2
202	Al2-	aluminum diatomic anion	al2-
203	Al2+	aluminum diatomic cation	al2+
204	BGa	Boron Gallium	bga
205	AlGa	Aluminum Gallium	alga
206	Ga2	Gallium diatomic	ga2
207	HBBH	Diborane(2)	hbbh
208	LiBH4	Lithium borohydride	libh4
209	B2H4	Diborane(4) D2d	b2h4
210	HBHHBH	Diborane(4) C2V	hbhhbh
211	B2H6+	Diborane cation	b2h6
212	Al2H6	dialane	al2h6
213	Ga2H6	digallane	ga2h6
214	LiC	Lithium Carbide	lic
215	BeC	Beryllium Carbide	bec
216	CaC	Calcium monocarbide	cac
217	BC	boron monocarbide	bc
218	BC-	boron monocarbide anion	bc-
219	BSi	Boron silicide	bsi
220	C2+	carbon diatomic cation	c2+
221	SiC-	silicon monocarbide anion	sic-
222	SiC+	silicon monocarbide cation	sic+
223	Si2-	silcon diatomic anion	si2-
224	Si2+	silcon diatomic cation	si2+
225	GeC	Germanium monocarbide	gec
226	SiGe	Silicon Germanium	sige
227	Ge2	Germanium diatomic	ge2
228	C2H-	Ethynyl anion	c2h-
229	C2H+	Ethynyl cation	c2h+
230	ZnCH2	Zinc methylene	znch2
231	H2CC-	vinylidene anion	h2cc-
232	HCCH-	acetylene anion	c2h2-
233	Si2H2	disilyne	si2h2
234	CH3Li	methyl lithium	ch3li
235	CuCH3	monomethyl copper	cuch3
236	ZnCH3	Zinc monomethyl	znch3
237	CH2BH	methyleneborane	ch2bh
238	C2H3-	vinyl anion	c2h3-
239	C2H3+	vinyl cation	c2h3+
240	C2H4-	Ethylene anion	c2h4-
241	C2H4+	Ethylene cation	c2h4+
242	CH3CH	methylmethylene	ch3ch
243	CH2SiH2	silaethylene	ch2sih2
244	Si2H4	Disilene	si2h4
245	CH3BH2	methylborane	ch3bh2
246	C2H5-	Ethyl anion	c2h5-
247	C2H5+	Ethyl cation	c2h5+
248	C2H6+	ethane cation	c2h6+
249	GeH3CH3	methyl germane	geh3ch3
250	C2H7+	Ethane, protonated	c2h7+
251	LiN	Lithium Nitride	lin
252	LiN+	Lithium Nitride cation	lin+
253	LiP	Lithium monophosphide	lip
254	BeN	Beryllium mononitride	ben
255	BeN+	Beryllium mononitride cation	ben+
256	MgN	Magnesium Nitride	mgn
257	AlN-	aluminum mononitride anion	aln-
258	AlN+	aluminum mononitride cation	aln+
259	BP	Boron monophosphide	bp
260	AlP	Aluminum monophosphide	alp
261	GaN	Gallium mononitride	gan
262	GaP	Gallium monophosphide	gap
263	GaAs	Gallium arsenide	gaas
264	CP-	carbon monophosphide anion	cp-
265	CP+	carbon monophosphide cation	cp+
266	SiN-	silicon mononitride anion	sin-
267	SiN+	silicon mononitride cation	sin+
268	SiP-	Silicon monophosphide anion	sip-
269	SiP+	Silicon monophosphide cation	sip+
270	TiN	Titanium mononitride	tin
271	PN-	phosphorus nitride anion	pn-
272	PN+	phosphorus nitride cation	pn+
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	HCN-	Hydrogen cyanide anion	hcn-
281	HNC+	hydrogen isocyanide cation	hnc+
282	HCP+	Phosphaethyne cation	hcp+
283	NNH	Dinitrogen monohydride	nnh
284	NNH+	Dinitrogen monohydride cation	nnh+
285	HPO+	Hydrogen phosphorus oxide cation	hpo+
286	LiNH2	lithium amide	linh2
287	HBNH	Boranimine	hbnh
288	CNH2	Aminomethylidyne radical	cnh2
289	CNH2+	N-protonated hydrogen isocyanide	cnh2+
290	H2CN	Dihydrogen cyanide radical	h2cn
291	H2CN+	hydrocyanonium cation	h2cn+
292	HCNH	methyleneazane	hcnh
293	HCNH+	N-protonated HCN	hcnh+
294	H2NN	Isodiazene	h2nn
295	N2H2	(Z)-Diazene	n2h2z
296	N2H2+	trans-diazene cation	n2h2+
297	CH2NH+	Methanimine cation	ch2nh+
298	CHNH2	aminomethylene	chnh2
299	CHNH2+	Aminocarbene cation	chnh2+
300	BH2NH2	Boranamine	bh2nh2
301	N2H4+	hydrazine cation	n2h4+
302	CH3NH2+	methyl amine cation	ch3nh2+
303	CH3PH2	Methyl phosphine	ch3ph2
304	SiH3NH2	Silane, amino	sih3nh2
305	N2H5+	protonated hydrazine	n2h5+
306	BH3NH3	borane ammonia	bh3nh3
307	CH3NH3	methyl ammonium radical	ch3nh3
308	CH3NH3+	protonated methylamine	ch3nh3+
309	CH3PH3+	methyl phosphine, protonated	ch3ph3+
310	NH3NH3	Ammonia Dimer	nh3nh3
311	N2H7+	ammonia ammonium dimer	n2h7+
312	LiS+	Lithium sulfide cation	lis+
313	KO	Potassium monoxide	ko
314	KO+	Potassium monoxide cation	ko+
315	NaS	Sodium sulfide	nas
316	CuO	Copper Monoxide	cuo
317	LiSe	Lithium monoselenide	lise
318	CaO	Calcium monoxide	cao
319	MgS-	magnesium sulfide anion	mgs-
320	MgS+	magnesium sulfide cation	mgs+
321	ZnO	zinc monoxide	zno
322	ZnS	Zinc sulfide	zns
323	BeS-	Beryllium monosulfide anion	bes-
324	BeS+	Beryllium monosulfide cation	bes+
325	AlO-	Aluminum monoxide anion	alo-
326	AlO+	aluminum monoxide cation	alo+
327	BS-	boron monosulfide anion	bs-
328	BS+	boron monosulfide cation	bs+
329	AlS-	aluminum monosulfide anion	als-
330	AlS+	aluminum monosulfide cation	als+
331	ScO	Scandium monoxide	sco
332	GaO	Gallium monoxide	gao
333	GaS	Gallium monosulfide	gas
334	CS-	carbon monosulfide anion	cs-
335	CS+	carbon monosulfide cation	cs+
336	SiO-	silicon monoxide anion	sio-
337	SiO+	silicon monoxide cation	sio+
338	SiS-	silicon monosulfide anion	sis-
339	SiS+	silicon monosulfide cation	sis+
340	TiO	Titanium monoxide	tio
341	CSe	Carbon monoselenide	cse
342	CSe-	Carbon monoselenide anion	cse-
343	CSe+	Carbon monoselenide cation	cse+
344	GeO+	Germanium monoxide cation	geo+
345	GeS	Germanium monosulfide	ges
346	SiSe+	Silicon Monoselenide cation	sise+
347	GeSe	Germanium monoselenide	gese
348	NS-	nitrogen sulfide anion	ns-
349	NS+	nitrogen sulfide cation	ns+
350	PO-	phosphorus monoxide anion	po-
351	PO+	phosphorus monoxide cation	po+
352	PS-	phosphorus monosulfide anion	ps-
353	PS+	phosphorus monosulfide cation	ps+
354	VO	Vanadium monoxide	vo
355	AsO	Arsenic monoxide	aso
356	NSe	Nitrogen monoselenide	nse
357	AsS	Arsenic monosulfide	ass
358	PSe	Phosphorus monoselenide	pse
359	AsSe	Arsenic monoselenide	asse
360	O2--	dioxygen dianion	o2--
361	SO-	sulfur monoxide anion	so-
362	S2-	sulfur diatomic anion	s2-
363	SeO	Selenium monoxide	seo
364	SeO-	selenium monoxide anion	seo-
365	SeO+	selenium monoxide cation	seo+
366	SeS	Selenium monosulfide	ses
367	SeS-	selenium monosulfide anion	ses-
368	SeS+	selenium monosulfide cation	ses+
369	TeO	Tellurium monoxide	teo
370	Se2-	selenium diatomic anion	se2-
371	Se2+	selenium diatomic cation	se2+
372	Te2	Tellurium diatomic	te2
373	KOH	Potassium hydroxide	koh
374	CaOH	Calcium monohydroxide	caoh
375	COH	Hydroxymethylidyne	coh
376	COH+	Carbon Monoxide, protonated	coh+
377	HCO-	formyl anion	hco-
378	HCO+	Formyl cation	hco+
379	HCS-	Thioformyl anion	hcs-
380	HCS+	Thioformyl cation	hcs+
381	HNO-	Nitrosyl hydride anion	hno-
382	HNO+	Nitrosyl hydride cation	hno+
383	NOH	Hydroxyimidogen	noh
384	NOH+	O-protonated nitric oxide	noh+
385	HNS	Sulfur imide	hns
386	HNS-	Sulfur imide anion	hns-
387	HO2-	Hydroperoxy anion	ho2-
388	HO2+	Hydroperoxy cation	ho2+
389	HS2	Thiosulfeno radical	hs2
390	H2CO-	formaldehyde anion	h2co-
391	HOCH	hydroxycarbene	hoch
392	H2CS-	thioformaldehyde anion	h2cs-
393	H2CS+	thioformaldehyde cation	h2cs+
394	H2NO	nitroxide	h2no
395	H2O2+	Hydrogen peroxide cation	h2o2+
396	H2OO	water oxide	h2oo
397	HOSH	hydrogen thioperoxide	hosh
398	H2Se2	hydrogen diselenide	h2se2
399	CH3O-	methoxy anion	ch3o-
400	CH3O+	Methoxy cation	ch3o+
401	NH2OH+	Hydroxylamine cation	nh2oh+
402	NH3O	Ammonia Oxide	nh3o
403	NH2SH	Thiohydroxylamine	nh2sh
404	NH3S	sulfidoazane	nh3s
405	H3O2+	hydrogen peroxide, protonated	h3o2+
406	CH3OH-	Methyl alcohol anion	ch3oh-
407	CH3OH+	Methyl alcohol cation	ch3oh+
408	CH3SH+	Methanethiol cation	ch3sh+
409	SiH3OH	silanol	sih3oh
410	CH3SeH	Methane selenol	ch3seh
411	NH2OH2+	protonated hydroxylamine	nh2oh2+
412	NH3OH+	N-protonated hydroxylamine	nh3oh+
413	CH3OH2+	Methanol, protonated	ch3oh2+
414	H2ONH3	Water Ammonia Dimer	h2onh3
415	H5O2+	Dihydroxonium ion	h5o2+
416	KF	Potassium Fluoride	kf
417	KCl	Potassium Chloride	kcl
418	CuF	Copper monofluoride	cuf
419	LiBr	Lithium Bromide	libr
420	LiBr-	lithium bromide anion	libr-
421	LiBr+	lithium bromide cation	libr+
422	CuCl	Copper monochloride	cucl
423	NaBr	Sodium Bromide	nabr
424	NaBr-	sodium bromide anion	nabr-
425	NaBr+	sodium bromide cation	nabr+
426	KBr	Potassium Bromide	kbr
427	LiI	Lithium Iodide	lii
428	NaI	Sodium Iodide	nai
429	KI	Potassium Iodide	ki
430	CaF	Calcium monofluoride	caf
431	CaCl	calcium monochloride	cacl
432	TiCl	Titanium Monochloride	ticl
433	ZnF	Zinc monofluoride	znf
434	ZnF-	Zinc monofluoride anion	znf-
435	ZnF+	Zinc monofluoride cation	znf+
436	ZnCl	Zinc monochloride	zncl
437	CaBr	Calcium monobromide	cabr
438	AlF-	Aluminum monofluoride anion	alf-
439	AlF+	Aluminum monofluoride cation	alf+
440	ScF	Scandium monofluoride	scf
441	BBr	Boron monobromide	bbr
442	GaF	Gallium monofluoride	gaf
443	GaF+	Gallium monofluoride cation	gaf+
444	AlBr	Aluminum monobromide	albr
445	GaCl	Gallium monochloride	gacl
446	GaCl+	Gallium monochloride cation	gacl+
447	AlI	Aluminum monoiodide	ali
448	GaBr	Gallium monobromide	gabr
449	SiF-	silicon monofluoride anion	sif-
450	CBr	Carbon monobromide	cbr
451	GeF	Germanium monofluoride	gef
452	GeF+	Germanium monofluoride cation	gef+
453	GeCl	Germanium monochloride	gecl
454	GeCl+	Germanium monochloride cation	gecl+
455	SiBr	Silicon monobromide	sibr
456	SiBr+	Silicon monobromide cation	sibr+
457	PF-	phosphorus monofluoride anion	pf-
458	PF+	phosphorus monofluoride cation	pf+
459	AsF	Arsenic monofluoride	asf
460	NBr	nitrogen monobromide	nbr
461	AsCl	Arsenic monochloride	ascl
462	PBr	Phosphorus monobromide	pbr
463	SbF	Antimony monofluoride	sbf
464	SbCl	Antimony monochloride	sbcl
465	ClO-	chlorine monoxide anion	clo-
466	SF-	sulfur monofluoride anion	sf-
467	BrO	Bromine monoxide	bro
468	BrO-	Bromine monoxide anion	bro-
469	BrO+	Bromine monoxide cation	bro+
470	SeF	Selenium monofluoride	sef
471	SBr+	Sulfur monobromide cation	sbr+
472	SeCl	Selenium monochloride	secl
473	IO	Iodine monoxide	io
474	SeBr	Selenium monobromide	sebr
475	BrCl	Bromine monochloride	brcl
476	BrF	Bromine monofluoride	brf
477	BrF-	bromine fluoride anion	brf-
478	BrF+	bromine fluoride cation	brf+
479	BrCl-	bromine chloride anion	brcl-
480	BrCl+	bromine chloride cation	brcl+
481	IF	Iodine monofluoride	if
482	Br2	Bromine diatomic	br2
483	Br2-	bromine diatomic anion	br2-
484	Br2+	bromine diatomic cation	br2+
485	ICl	Iodine monochloride	icl
486	IBr	Iodine monobromide	ibr
487	I2	Iodine diatomic	i2
488	I2+	Iodine diatomic cation	i2+
489	HCCl	Chloromethylene	hccl
490	HSiF	fluorosilylene	hsif
491	HSiCl	Chlorosilylene	hsicl
492	HSiBr	monobromosilylene	hsibr
493	CHBr	bromomethylene	chbr
494	DOCl	Hypochlorous acid-d	docl
495	HOCl+	hypochlorous acid cation	hocl+
496	HOBr	Hypobromous acid	hobr
497	HOBr+	Hypobromous acid cation	hobr+
498	HOI	Hypoiodous acid	hoi
499	F2H+	Fluorine, protonated	f2h+
500	FHF	Hydrogen difluoride	fhf
501	FHF-	Hydrogen difluoride anion	fhf-
502	ClFH+	Chlorine fluoride, F-protonated	clfh+
503	FClH+	Chlorine fluoride, Cl-protonated	fclh+
504	Cl2H+	Chlorine, protonated	cl2h+
505	CH2Br	bromomethyl radical	ch2br
506	CH2F	fluoromethyl radical	ch2f
507	CH2F+	fluoromethyl cation	ch2f+
508	CH2Cl+	chloromethyl cation	ch2cl+
509	NH2F	monofluoroamine	nh2f
510	NH2Cl	chloramine	nh2cl
511	CH3F+	methyl fluoride cation	ch3f+
512	CD3F	methylfluoride-d3	cd3f
513	CD3Cl	methyl chloride d3	cd3cl
514	CH3Cl+	Methyl chloride cation	ch3cl+
515	CH3Br	methyl bromide	ch3br
516	GeH3F	monofluorogermane	geh3f
517	GeH3Cl	monochlorogermane	geh3cl
518	SiH3Br	bromosilane	sih3br
519	CH3I	methyl iodide	ch3i
520	SiH3I	Silyl Iodide	sih3i
521	NH3Cl+	protonated monochloroammonia	nh3cl+
522	CH3ClH+	methyl chloride, protonated	ch3clh+
523	NH4Cl	Ammonium chloride	nh4cl
524	LiNe+	Lithium Neon cation	line+
525	Ne2	Neon diatomic	ne2
526	Ne2+	Neon diatomic cation	ne2+
527	Ar2	Argon diatomic	ar2
528	Ar2+	Argon diatomic cation	ar2+
529	Li3	Lithium trimer	li3
530	Li3+	Lithium trimer cation	li3+
531	C3+	carbon trimer cation	c3+
532	SiC2	Silicon dicarbide	sic2
533	C3H3	cyclopropenyl radical	cpr
534	C3H3-	Propargyl anion	c3h3-
535	C3H3+	cyclopropenyl cation	cpr+
536	C3H3+	Propargyl cation	c3h3+
537	C3H4	cyclopropene	cprop
538	C3H5	Allyl radical	allyl
539	C3H5+	Allyl cation	allyl+
540	CH3CHCH	1-propenyl radical	ch3chch
541	Zn(CH3)2	dimethyl zinc	dmz
542	C3H7+	cyclopropane, protonated	c3h7+
543	CH3CHCH3	Isopropyl radical	isopropyl
544	CH3CHCH3+	Isopropyl cation	prop2yl+
545	LiCN	lithium cyanide	licn
546	NaCN	Sodium Cyanide	nacn
547	KCN	Potassium cyanide	kcn
548	CuCN	Copper cyanide	cucn
549	ZnCN	Zinc monocyanide	zncn
550	ZnNC	Zinc isocyanide	znnc
551	AlCN	Aluminum monocyanide	alcn
552	AlNC	Aluminum isocyanide	alnc
553	CN2	3H-Diazirin-3-ylidene	cn2
554	CNN	Diazocarbene	cnn
555	NCN	Cyanoimidogen	ncn
556	N3	azide radical	n3
557	N3-	azide anion	n3-
558	N3+	azide cation	n3+
559	HCCN	cyanomethylene	hccn
560	HCNN	diazomethyl radical	hcnn
561	HN3+	Hydrazoic acid cation	hn3+
562	HNCNH	diiminomethane	hncnh
563	CH2N2	diazirine	ch2n2
564	NH2CN	cyanamide	cyanamide
565	HNNNH+	1,2-Triazadienium	n2h3+
566	NH2NN+	hydrazoic acid, protonated	nh2nn+
567	CH3CN-	acetonitrile anion	ch3cn-
568	CH3CN+	Acetonitrile cation	ch3cn+
569	CHNCH2	2H-Azirine	c157164
570	CHNHCH	1H-Azirine	chnhch
571	H2CCNH	Ethenimine	ch2cnh
572	H2CNCH	methyleneaminomethylene	ch2nch
573	HCCNH2	Ethynamine	hccnh2
574	HCNCH2+	2H-Azirine cation	hcnch2+
575	HNCNH2+	diiminomethane, protonated	hncnh2+
576	NCNH3+	Cyanamide, protonated	ncnh3+
577	NH2CNH+	cyanamide, cn protonated	nh2cnh+
578	NH3CN+	cyanamide, amine protonated	nh3cn+
579	CH2CHNH	vinylazine	ch2chnh
580	CH3CHN	methylmethaniminyl radical	ch3chn
581	CH2CHNH2	aminoethene	aminoethene
582	CH2NCH3	N-methylmethanimine	nmm
583	CH3CHNH	ethanimine	ethanimine
584	NH2BHNH2	diaminoborane	nh2bhnh2
585	C2H5NH+	Protonated Aziridine	c2h5nh+
586	C2H6N+	aziridine, protonated	c2h6n+
587	NH2CH2NH2	diaminomethane	nh2ch2nh2
588	CH3PHCH3	dimethylphosphine	ch3phch3
589	NH2CH2NH3+	diaminoethane, protonated	pdam
590	(CH3)2NH2+	dimethylammonium cation	dmam
591	CH3CH2NH3+	ethylamine, protonated	pea
592	Li2O+	dilithium oxide cation	li2o+
593	Na2O	disodium monoxide	na2o
594	Na2S	Sodium sulfide	na2s
595	LiO2	Lithium dioxide	lio2
596	NaO2	Sodium superoxide	nao2
597	CCO	Dicarbon monoxide	cco
598	CNO-	fulminate	cno-
599	NCO	isocyanato radical	nco
600	NCO-	cyanate	nco-
601	SCN	thiocyanato radical	scn
602	SCN-	thiocyanide anion	scn-
603	BO2-	Boron dioxide anion	bo2-
604	BO2+	Boron dioxide cation	bo2+
605	N2O-	Nitrous oxide anion	n2o-
606	N2O+	Nitrous oxide cation	n2o+
607	PPO	Phosphorus oxide phosphide	ppo
608	CO2-	Carbon dioxide anion	co2-
609	CO2+	Carbon dioxide cation	co2+
610	OCS+	Carbonyl sulfide cation	cos+
611	CS2-	Carbon disulfide anion	cs2-
612	CS2+	Carbon disulfide cation	cs2+
613	TiO2	Titanium dioxide	tio2
614	GeO2	Germanium dioxide	geo2
615	OCSe	Carbonyl selenide	ocse
616	SCSe	Carbon sulfide selenide	scse
617	GeS2	Germanium disulfide	ges2
618	CSe2	Carbon diselenide	cse2
619	SCTe	Carbon sulfide Telluride	scte
620	NO2-	Nitrogen dioxide anion	no2-
621	NO2+	Nitrogen dioxide cation	no2+
622	PO2-	Phosphorus dioxide anion	po2-
623	PO2+	Phosphorus dioxide cation	po2+
624	AsO2	Aresenic dioxide	aso2
625	O3-	Ozone anion	o3-
626	O3+	Ozone cation	o3+
627	SO2-	Sulfur dioxide anion	so2-
628	SO2+	Sulfur dioxide cation	so2+
629	SeO2	Selenium dioxide	seo2
630	SeO2+	Selenium dioxide cation	seo2+
631	TeO2	Tellurium Dioxide	teo2
632	CS2H+	Carbon disulfide, protonated	cs2h+
633	HNCS	Isothiocyanic acid	hncs
634	HSCN	thiocyanic acid	hscn
635	HNNO	nitrosoazane	hnno
636	HNNO+	Nitrous oxide, N-protonated	hnno+
637	NNOH+	Nitrous Oxide, O-protonated	nnoh+
638	HCOO	formate neutral radical	hcoo
639	HOCO+	Hydrocarboxyl cation	hoco+
640	HNO2+	nitrous acid cation	hno2+
641	O3H+	protonated ozone	o3h+
642	SO2H+	protonated sulfur dioxide	so2h+
643	C2H2O	Oxirene	oxirene
644	CH2CO+	Ketene cation	ch2co+
645	Be(OH)2	Beryllium hydroxide	beo2h2
646	Mg(OH)2	Magnesium dihydroxide	h2mgo2
647	NH2NO	Nitrosamide	nh2no
648	CH2O2	Dioxirane	diox
649	H2COO	Dioxymethyl radical	h2coo
650	H2COO+	dioxymethyl cation	h2coo+
651	H2O3	Hydrogen trioxide	h2o3
652	NaOCH3	Sodium methoxide	naoch3
653	CH2BOH	hydroxy(methylene)borane	ch2boh
654	BH3CO	Borane carbonyl	bh3co
655	CH3BO	Borane, methyloxo-	ch3bo
656	CH2CHO	Vinyloxy radical	ch2cho
657	CH2COH+	ketene, protonated	ch2coh+
658	CH3CO-	Acetyl anion	ch3co-
659	CH3CO+	acetyl cation	ch3co+
660	CH2NOH	formaldoxime	ch2noh
661	CH3NO	nitrosomethane	ch3no
662	CNOH3	1,2-oxaziridine	cnoh3
663	HOCHNH	hydroxymethylimine	hochnh
664	CHSNH2	thioformamide	chsnh2
665	NHCHSH	Methanimidothioic acid	nhchsh
666	CH2OOH	CH2OOH radical	ch2ooh
667	CH3OO-	methylperoxy anion	ch3oo-
668	CH3OO+	methylperoxy cation	ch3oo+
669	C2H4O+	ethylene oxide cation	c2h4o+
670	CH3CHO+	acetaldehyde cation	ch3cho+
671	H2COCH2+	Methyl, (methyleneoxoniumyl)-	h2coch2+
672	CH2CHSH	Ethenethiol	ch2chsh
673	H2CONH2+	protonated formamide	h2conh2+
674	NH2CHOH+	Formamide, O-protonated	nh2choh+
675	NH3CHO+	Formamide, N-Protonated	nh3cho+
676	CH2(OH)2	methanediol	ch2o2h2
677	HSCH2SH	Methanedithiol	ch4s2
678	H2OH2CO	water formaldehyde dimer	h2oh2co
679	C2H4OH+	ethylene oxide, protonated	c2h4oh+
680	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
681	CH3CH2O	Ethoxy radical	ethoxy
682	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
683	CH3CHOH+	acetaldehyde, protonated	ch3choh+
684	CH3OCH2	methoxymethyl radical	ch3och2
685	NH2CH2OH	aminomethanol	nh2ch2oh
686	CH3SCH3+	dimethyl sulfide cation	mesme+
687	CH3SeCH3	dimethylselenide	dmse
688	CH3OHH2O	methanol water dimer	ch3ohh2o
689	H2OCH3OH	water methanol dimer	h2och3oh
690	CuF2	Copper difluoride	cuf2
691	ZnF2	Zinc difluoride	znf2
692	CNF	iso cyanogen fluoride	cnf
693	BrCN	Cyanogen bromide	brcn
694	ICN	Cyanogen iodide	icn
695	FBO	Boron monofluoride monoxide	fbo
696	BeF2	Beryllium fluoride	bef2
697	MgF2	Magnesium fluoride	mgf2
698	BeCl2	Beryllium chloride	becl2
699	CaCl2	Calcium Chloride	cacl2
700	ZnCl2	Zinc dichloride	zncl2
701	BeBr2	Beryllium bromide	bebr2
702	CaBr2	Calcium dibromide	cabr2
703	CaF2	Calcium difluoride	caf2
704	FCO	Carbonyl fluoride	fco
705	FCO+	Carbonyl fluoride cation	fco+
706	ClCO	carbonyl monochloride	clco
707	BF2	Boron difluoride radical	bf2
708	BrNO	Nitrosyl bromide	brno
709	INO	Nitrosyl iodide	ino
710	CF2-	Difluoromethylene anion	cf2-
711	CF2+	Difluoromethylene cation	cf2+
712	CFCl	chlorofluoromethylene	cfcl
713	SiF2	Silicon difluoride	sif2
714	SiF2+	Silicon difluoride cation	sif2+
715	CCl2-	dichloromethylene anion	ccl2-
716	CCl2+	dichloromethylene cation	ccl2+
717	GeF2	Germanium difluoride	gef2
718	CBr2	dibromomethylene	cbr2
719	FOO+	Fluorine dioxide cation	foo+
720	ClOO+	chloroperoxy cation	cloo+
721	OClO-	Chlorine dioxide anion	oclo-
722	OClO+	Chlorine dioxide cation	oclo+
723	BrOO	Bromine dioxide	broo
724	OBrO	Bromine dioxide radical	obro
725	NF2+	Difluoroamino cation	nf2+
726	PF2	Phosphorus difluoride	pf2
727	PF2+	Phosphorus difluoride cation	pf2+
728	SF2-	sulfur difluoride anion	sf2-
729	SF2+	sulfur difluoride cation	sf2+
730	SeF2	Selenium difluoride	sef2
731	BrOCl	Bromine hypochlorite	brocl
732	BrOBr	Bromine oxide	brobr
733	F3-	trifluoride anion	f3-
734	Cl3-	trichloride anion	cl3-
735	Br3-	tribromide anion	br3-
736	I3-	triiodide	i3-
737	SFCl	Sulfur chloride fluoride	sfcl
738	HCCF+	fluoroacetylene cation	hccf+
739	HCCCl	Chloroacetylene	hcccl
740	HCCBr	bromoacetylene	hccbr
741	HFCO	formyl fluoride	hfco
742	HFCO+	formyl fluoride cation	hfco+
743	COHCl	Formyl chloride	cohcl
744	COHBr	Formyl bromide	cohbr
745	CHCl2	dichloromethyl radical	chcl2
746	CHF2	difluoromethyl radical	chf2
747	CHF2+	difluoromethyl cation	chf2+
748	CHFCl	Chlorofluoromethyl radical	chfcl
749	CHFCl+	Chlorofluoromethyl cation	chfcl+
750	CHCl2+	dichloromethyl cation	chcl2+
751	CHBr2	dibromomethyl radical	chbr2
752	HOClO	Chlorous acid	hoclo
753	NHF2	difluoramine	nhf2
754	NHCl2	dichloroamine	nhcl2
755	SiH2F2	difluorosilane	sih2f2
756	CH2BrF	Methane, bromofluoro-	ch2fbr
757	CH2BrCl	Methane, bromochloro-	ch2clbr
758	CH2FI	fluoroiodomethane	ch2fi
759	CH2Br2	dibromomethane	ch2br2
760	CH2ClI	chloroiodomethane	ch2cli
761	CH2BrI	bromoiodomethane	ch2bri
762	CH2I2	Diiodomethane	ch2i2
763	CH3MgBr	Methyl Magnesium Bromide	ch3mgbr
764	CH2CHF+	fluoroethene cation	ch2chf+
765	C2H3Br	vinyl bromide	c2h3br
766	C2H3I	Vinyl iodide	c2h3i
767	CH2FOH	fluoromethanol	ch2foh
768	CH3OCl	methyl hypochlorite	ch3ocl
769	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
770	CHClCH3	1-chloroethyl radical	chclch3
771	CH3CH2Cl	Ethyl chloride	c2h5cl
772	CH3SiFH2	fluoromethylsilane	ch3sifh2
773	C2H5Br	Ethyl bromide	etbr
774	C2H5I	Ethyl iodide	c2h5i
775	KrF2	Krypton difluoride	krf2
776	XeF2	Xenon difluoride	xef2
777	B4H10	Tetraborane(10)	b4h10
778	C4+	Carbon tetramer cation	c4+
779	C4H2+	diacetlyene cation	c4h2+
780	C4H4	cyclobutadiene	cbd
781	C4H4	Tetrahedrane	c4h4
782	CHCCH2CH3	1-Butyne	c107006
783	CH3CHCHCH2	methylallyl radical	c4h7
784	C4H8	methylcyclopropane	mcp
785	CH2CHCH2CH3	1-Butene	bute1
786	B(CH3)3	trimethylborane	bme3
787	Al(CH3)3	trimethyl aluminum	tma
788	Li3N	trilithium nitride	li3n
789	C2N2+	Cyanogen cation	c2n2+
790	As4	Arsenic tetramer	as4
791	HCCCN+	Cyanoacetylene cation	hcccn+
792	H2CNCN	cyanamide, methylene	ch2ncn
793	HNCCNH	Ethenediimine	hnccnh
794	C3H3N+	acrylonitrile cation	ch2chcn+
795	CH3N3	methyl azide	ch3n3
796	NH2CCNH2	Diaminoacetylene	daa
797	NH2CH2CN	Aminoacetonitrile	aan
798	CH3NHN2+	methyl azide, protonated	ch3nhn2+
799	C2H5CN	ethyl cyanide	c2h5cn
800	CH5N3	Guanidine	guanidine
801	C4H6	Bicyclo[1.1.0]butane	c157335
802	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
803	H2NCHCHNH2	diaminoethylene	dae
804	CH6N3+	guanidinium	ch6n3+
805	CH7N3	triaminomethane	tam
806	C3H7N	Azetidine	azet
807	C2H8N2	Ethylenediamine	ethdiam
808	CH3NHNHCH3	dimethyl hydrazine	dmh
809	NH2CH2CH2CH3	1-Propanamine	pram1
810	P(CH3)3	trimethylphosphine	tmp
811	N(SiH3)3	trisilylamine	tsa
812	As(CH3)3	trimethyl arsine	tmas
813	(CH3)3NH+	protonated trimethyl amine	ptma
814	C3H7NH3+	n-propylamine, protonated	c3h7nh2
815	Li2O2	dilithium dioxide	li2o2
816	Na2O2	disodium dioxide	na2o2
817	K2O2	dipotassium dioxide	k2o2
818	C3O	Tricarbon monoxide	c3o
819	ONNO	NO dimer	onno
820	CO3	Carbon trioxide	co3
821	NO3-	nitrate anion	no3-
822	NO3+	nitrogen trioxide cation	no3+
823	SO3-	Sulfur trioxide anion	so3-
824	SO3--	Sulfate dianion	so3--
825	SO3+	Sulfur trioxide cation	so3+
826	SeO3	selenium trioxide	seo3
827	TeO3	Tellurium trioxide	teo3
828	HCO3-	bicarbonate anion	hco3-
829	HSO3	Hydroxysulfonyl radical	hso3
830	NH2NO2	nitramide	nh2no2
831	C2H2CO	cyclopropenone	c2h2co
832	C3H2O	Propadienal	c3h2o
833	HCCCHO	2-propynal	hcccho
834	C2H2O2+	Ethanedial cation	c2h2o2+
835	H2CO3	Carbonic acid	h2co3
836	H2CS3	thiocarbonic acid	h2cs3
837	H2NO3+	Nitric Acid, Protonated	h2no3+
838	H2SO3	Sulfurous acid	h2so3
839	C2H3NO	Nitrosoethylene	c2h3no
840	CH3NCO	methylisocyante	ch3nco
841	HOCH2CN	cyanomethanol	hoch2cn
842	NH2COOH	Carbamic acid	nh2cooh
843	H3BO3	Boric acid	h3bo3
844	H3CO3+	carbonic acid, protonated	h3co3+
845	C3H4O	2-Propyn-1-ol	c107197
846	C3H4O	Methylketene	c6004440
847	NH2CONH2+	Urea cation	urea+
848	C2H4O2	1,3-dioxetane	c2h4o2
849	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
850	NH3COOH+	protonated Carbamic acid	nh3cooh+
851	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
852	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
853	HCOOHH2O	Formic acid water dimer	hcoohh2o
854	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
855	CH3COCH2	Acetonyl radical	ch3coch2
856	CH2C(OH)NH2	1-amino vinyl alchohol	ava
857	CH3C(OH)=NH	Ethaninidic acid	eia
858	HCONHCH3	N-methylformamide	nmfa
859	CH5N2O+	urea, N-protonated	ch4n2o+
860	H2NCOHNH2+	urea, protonated	ureah+
861	C2H5OO	ethylperoxy radical	c2h5oo
862	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
863	C3H5OH	Cyclopropanol	cproh
864	C3H6O	2-Propen-1-ol	c107186
865	C3H6O	Acetone enol	enol
866	C3H6O	Oxetane	oxetane
867	CH3COCH3-	acetone anion	ch3coch3-
868	C3H6S	Thiirane, methyl-	methiirane
869	CH3CSCH3	Thioacetone	ch3csch3
870	CH3OOCH3	dimethylperoxide	dmp
871	CH3SOCH3	Dimethyl sulfoxide	dmso
872	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
873	CH3COHCH3+	acetone, protonated	acetoneh+
874	HOCH2CH2NH2	monoethanolamine	mea
875	C3H7OH	1-Propanol	proh
876	C3H7SH	1-Propanethiol	prsh
877	CH3CHSHCH3	2-Propanethiol	isoprsh
878	CH3SCH2CH3	Ethane, (methylthio)-	etsme
879	H2OCH3OCH3	water dimethylether dimer	h2och3och3
880	Li2F2	Lithium fluoride dimer	li2f2
881	Na2F2	Sodium Fluoride Dimer	na2f2
882	Na2Cl2	Disodium dichloride	na2cl2
883	C2Cl2+	dichloroacetylene cation	c2cl2+
884	FNO2	Nitryl fluoride	fno2
885	FONO	Nitrosyl hypofluorite	fono
886	ClONO	chlorine nitrite	clono
887	BrONO	Bromine nitrite	brono
888	CF2O+	Carbonic difluoride cation	f2co+
889	COFCl	Carbonic chloride fluoride	cofcl
890	COBr2	Carbonic dibromide	cobr2
891	BF3-	Borane, trifluoro- anion	bf3-
892	BF3+	boron trifluoride cation	bf3+
893	BClF2	Chlorodifluoroborane	bclf2
894	ScF3	Scandium trifluoride	ScF3
895	BCl3+	Boron Trichloride cation	bcl3+
896	GaF3	Gallium trifluoride	gaf3
897	GaCl3	Gallium trichloride	gacl3
898	BBr3	Boron tribromide	bbr3
899	AlBr3	Aluminum Bromide	albr3
900	ClO3	Chlorine trioxide	clo3
901	BrO3-	Bromate anion	bro3-
902	CF3-	Trifluoromethyl anion	cf3-
903	CF3+	Trifluoromethyl cation	cf3+
904	CF2Cl	difluorochloromethyl radical	cf2cl
905	SiF3+	Silicon trifluoride cation	sif3+
906	CFCl2	dichlorofluoromethyl radical	cfcl2
907	CCl3	Trichloromethyl radical	ccl3
908	CCl3-	Trichloromethyl anion	ccl3-
909	CCl3+	Trichloromethyl cation	ccl3+
910	CBr3	tribromomethyl radical	cbr3
911	FOOF	Perfluoroperoxide	foof
912	ClOOCl	Dichlorine dioxide	cloocl
913	SeOCl2	selenium oxychloride	seocl2
914	NF3-	Nitrogen trifluoride anion	nf3-
915	NF3+	Nitrogen trifluoride cation	nf3+
916	AsF3	Arsenic trifluoride	asf3
917	SbF3	Antimony Trifluoride	sbf3
918	AsCl3	Arsenous trichloride	ascl3
919	SbCl3	Antimony Trichloride	sbcl3
920	NBr3	Nitrogen Tribromide	nbr3
921	PBr3	Phosphorus tribromide	pbr3
922	AsBr3	Arsenic tribromide	asbr3
923	NI3	Nitrogen triiodide	ni3
924	PI3	Phosphorus triiodide	pi3
925	BrF3	Bromine trifluoride	brf3
926	IF3	iodone trifluoride	if3
927	SiHF3	trifluorosilane	sihf3
928	CDCl3	trichloromethane-d	cdcl3
929	CHBrF2	Methane, bromodifluoro-	chbrf2
930	CHFClBr	fluorochlorobromomethane	chfclbr
931	CHBrCl2	Methane, bromodichloro-	chbrcl2
932	CHF2I	difluoroiodomethane	chf2i
933	CHBr2F	dibromofluoromethane	chbr2f
934	CHFClI	fluorochloroiodomethane	chfcli
935	CHCl2I	dichloroiodomethane	chcl2i
936	CHClBr2	Methane, dibromochloro-	chclbr2
937	CHBr3	bromoform	chbr3
938	CHI3	Iodoform	chi3
939	NF3H+	protonated nitrogen trifluoride	nf3h+
940	AsF3H+	Arsenic trifluoride, protonated	asf3h+
941	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
942	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
943	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
944	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
945	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
946	C2H2Br2	1,1-dibromoethene	c2h2br2
947	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
948	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
949	CH2FCHO	Fluoroacetaldehyde	ch2fcho
950	CH2ClCHO	chloroacetaldehyde	ch2clcho
951	C2H4F2	1,2-difluoroethane	c2h4f2
952	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
953	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
954	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
955	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
956	CH2BrCH2Cl	1-bromo-2-chloroethane	ch2brch2cl
957	CH2BrCH2Br	Ethane, 1,2-dibromo-	ch2brch2br
958	CH2CFCH3	2-fluoropropene	2fpro
959	CH2CHCH2F	Allyl Fluoride	allylf
960	CH3CHCHF	trans-1-Fluoro-1-propene	propene1ft
961	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
962	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
963	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
964	CH2FCH2OH	2-fluoroethanol	ch2fch2oh
965	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
966	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
967	CH2FCH2CH3	1-Fluoropropane	prf1
968	CH3CHFCH3	2-Fluoropropane	prf2
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	B5H9	pentaborane9	b5h9
975	C5H4	pentatetraene	ptrene
976	C5H5	cyclopentadienyl radical	c5h5
977	C5H6	1,3-Cyclopentadiene	c542927
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	Propellane	propellane
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-pentyne	a1pentyne
989	C5H8	2,3-Pentadiene	c591968
990	C5H8	Bicyclo[1.1.1]pentane	bcp
991	C5H8	Ethenylcyclopropane	c693867
992	CH3CCCH2CH3	2-Pentyne	2pentyne
993	C5H10	1-Butene, 2-methyl-	c563462
994	C5H10	2-Butene, 2-methyl-	c513359
995	C5H10	2-Pentene, (E)-	c646048
996	C5H10	2-Pentene, (Z)-	c627203
997	C5H10	Cyclopentane	c287923
998	C5H10	Cyclopropane, 1,1-dimethyl-	c1630940
999	C5H11	2-Methylbut-2-yl radical	c4348350
1000	CH2N4	1H-Tetrazole	1htz
1001	C3H3N2	imidazolyl radical	im
1002	C3H3N2-	imidizolyl anion	im-
1003	C2H3N3	1H-1,2,4-Triazole	c288880
1004	C4H4N	pyrrolide radical	c4h4n
1005	C4H4N-	pyrrolide anion	c4h4n-
1006	C3H4N2	2H-Imidazole	imid2h
1007	C3H4N2	4H-Imidazole	imid4h
1008	C4H5N	2H-pyrrole	pyrrole2
1009	C4H5N	3H-pyrrole	pyrrole3
1010	CH2CHCH2CN	Allylcyanide	ch2chch2cn
1011	C4H6N+	pyrrole, alpha-protonated	appyr
1012	C4H6N+	pyrrole, beta-protonated	bppyr
1013	C4H6N+	pyrrole, protonated	ppyr
1014	C3H6N2	3-Aminopropionitrile	c151188
1015	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1016	CH3CH2CH2CN	Butanenitrile	c109740
1017	C5H8	Spiropentane	c157404
1018	C3H10N2	1,2-Diaminopropane	diampr12
1019	C(CH3)3NH2	2-Propanamine, 2-methyl-	c75649
1020	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	c78819
1021	C(NH2)H2CH2CH2CH3	1-Butanamine	butam1
1022	NH(C2H5)2	diethylamine	dea
1023	NC4H12+	tetramethyl ammonium cation	nc4h12+
1024	C3O2+	Carbon suboxide cation	c3o2+
1025	B2O3	diboron trioxide	b2o3
1026	MgCO3	Magnesium Carbonate	mgco3
1027	BeCO3	Beryllium Carbonate	beco3
1028	CaCO3	Calcium Carbonate	caco3
1029	ONONO	Nitrosyl nitrite	onono
1030	HOONO2	peroxy nitric acid	hoono2
1031	HSO4-	bisulfate anion	hso4-
1032	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1033	C3H2O2	Propiolic acid	c3h2o2
1034	CHOCOOH	oxo acetic acid	oaa
1035	CHOOCHO	diformyl ether	choocho
1036	H2SeO4	Selenic acid	h2seo4
1037	C3H3NO	Oxazole	oxazole
1038	C3H3NS	Thiazole	thiazole
1039	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1040	H3PO4	Phosphoric Acid	h3po4
1041	C4H4O+	Furan cation	furan+
1042	CH3COCCH	3-butyn-2-one	c1423605
1043	C4H4Se	selenophene	c4h4se
1044	C3H4O2	Methyl glyoxal	megly
1045	HOCHCCHOH	allenediol	aldiol
1046	C2H4O3	1,2,3-trioxolane	c2h4o3
1047	C2H4O3	trioxolane124	triox
1048	HOCH2COOH	Hydroxyacetic acid	hac
1049	CH5N3S	Hydrazinecarbothioamide	c79196
1050	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1051	CH2CHOCHCH2	Vinyl ether	vinylether
1052	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1053	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1054	CH2CHSCHCH2	Divinyl sulfide	divis
1055	C2H6N2O	Urea, methyl-	c598505
1056	CH3CH2COOH	Propanoic Acid	propanoic
1057	HCOOC2H5	Ethyl formate	faee
1058	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1059	C3H7NO	dimethylformamide	dmf
1060	C2H3OC2H5	Ethene, ethoxy-	c109922
1061	C4H8O	Furan, tetrahydro-	thf
1062	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	pre1meo2
1063	CHOCH(CH3)CH3	Propanal, 2-methyl-	c78842
1064	C4H8S	Thiophene, tetrahydro-	tht
1065	C3H8O2	1,3-Propanediol	c504632
1066	C3H8O2	Hydroperoxide, 1-methylethyl	c3031752
1067	C3H8O2	Methane, dimethoxy-	c109875
1068	C3H8O2	Propylene glycol	c57556
1069	C3H8S2	1,3-Propanedithiol	c109808
1070	C4H10O	1-Butanol	butanol1
1071	C4H10O	1-Propanol, 2-methyl-	c78831
1072	C4H10O	Ethanol, 1,1-dimethyl-	tbuoh
1073	C4H10O	Methyl propyl ether	meopr
1074	C4H10O	Propane, 2-methoxy-	c598538
1075	C4H10O+	1-Butanol cation	butanol1+
1076	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1077	C2H5SC2H5	Diethyl sulfide	etset
1078	C4H9SH	1-Butanethiol	bush
1079	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1080	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1081	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1082	ClONO2	Chlorine nitrate	clono2
1083	BrONO2	Bromine nitrate	brono2
1084	TiCl4	Titanium tetrachloride	ticl4
1085	SO2F2	Sulfuryl fluoride	so2f2
1086	TiF4	Titanium tetrafluoride	tif4
1087	CF3Br	Bromotrifluoromethane	cf3br
1088	GeF4	Germanium tetrafluoride	gef4
1089	CCl4+	Carbon tetrachloride cation	ccl4+
1090	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1091	CBrCl2F	bromodichlorofluoromethane	cbrcl2f
1092	CF3I	trifluoroiodomethane	cf3i
1093	CBrCl3	Methane, bromotrichloro-	cbrcl3
1094	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1095	GeCl4	Germanium Tetrachloride	gecl4
1096	CBr2ClF	dibromochlorofluoromethane	cbr2clf
1097	CBr2Cl2	dibromodichloromethane	cbr2cl2
1098	CCl3I	trichloroiodomethane	ccl3i
1099	CFBr3	fluorotribromomethane	cfbr3
1100	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1101	CBr3Cl	tribromochloromethane	cbr3cl
1102	CF2I2	difluorodiiodomethane	cf2i2
1103	CBr4	Carbon tetrabromide	cbr4
1104	CCl2I2	dichlorodiiodomethane	ccl2i2
1105	SiBr4	Silicon tetrabromide	sibr4
1106	CBr3I	tribromoiododmethane	cbr3i
1107	GeBr4	Germanium tetrabromide	gebr4
1108	CI4	tetraiodomethane	ci4
1109	SiI4	silicon tetraiodide	sii4
1110	ClOF3	Chlorine trifluoride oxide	clof3
1111	SeF4	Selenium tetrafluoride	sef4
1112	SCl4	Sulfur tetrachloride	scl4
1113	C2HF3	Trifluoroethylene	c2hf3
1114	C2HF3+	Trifluoroethylene cation	c2hf3+
1115	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1116	HSO3F	Fluorosulfonic acid	hso3f
1117	CF3OH	trifluoromethanol	cf3oh
1118	CH2ClCCCl	1,3-dichloropropyne	ch2clcccl
1119	CHClCCHCl	1,3-dichloroallene	chclcchcl
1120	CHCl2CCH	3,3-dichloropropyne	chcl2cch
1121	CHCl2CHO	dichloroacetaldehyde	chcl2cho
1122	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1123	CHF2CH2F	Ethane, 1,1,2-trifluoro	ch2fchf2
1124	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1125	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1126	CH3CCl3	Ethane, 1,1,1-trichloro-	ch3ccl3
1127	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1128	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1129	NH3BCl3	Amminetrichloroboron	nh3bcl3
1130	CH2CClCHCH2	1,3-Butadiene, 2-chloro-	c4h5cl
1131	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1132	CH2FCH2CH2F	1,3-difluoropropane	ch2fch2ch2f
1133	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1134	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1135	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1136	CH3CCl2CH3	Propane, 2,2-dichloro-	prdicl22
1137	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1138	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1139	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1140	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1141	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1142	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1143	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1144	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1145	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1146	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1147	C4H9F	1-fluorobutane	butaf1
1148	CH3CHFCH2CH3	2-fluorobutane	butaf2
1149	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1150	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1151	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1152	XeF4	Xenon tetrafluoride	xef4
1153	C2H2N2O	Furazan	furazan
1154	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1155	NH3BF3	Amminetrifluoroboron	nh3bf3
1156	C6H2	hexatriyne	c6h2
1157	C6H4	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1158	C6H4	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1159	C6H4	Benzyne	benzyne
1160	C6H5-	phenyl anion	phenyl-
1161	C6H6	Prismane	prismane
1162	C6H6	1,2,4,5-Hexatetraene	ht1245
1163	C6H6	2,4-Hexadiyne	hexadiyne
1164	C6H6	3,4-Dimethylenecyclobutene	cb34m
1165	C6H6	Benzvalene	bv
1166	C6H6	Dewar Benzene	dewar
1167	C6H6	Hexa-1,5-diene-3-yne	hdy153
1168	C6H6	Trimethylenecycopropane	tmcp
1169	C6H6+	Benzene cation	c6h6+
1170	C6H7+	benzene, protonated	c6h7+
1171	C6H8	(E)-hexa-1,3,5-triene	c821078
1172	C6H8	(E)-hexa-2,3,4-triene	c59660650
1173	C6H8	(Z)-hexa-1,3,5-triene	hexatri135
1174	C6H8	(Z)-hexa-2,3,4-triene	hetr234c
1175	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1176	C6H8	1,4-Cyclohexadiene	cyhexadiene14
1177	C6H8	3-Methylenecyclopentene	c930267
1178	C6H8	Bicyclo[2.1.1]hex-2-ene	c822413
1179	C6H8	Bicyclo[3.1.0]hex-2-ene	c694019
1180	C6H10	1,3-Hexadiene, (E)-	hexdi13e
1181	C6H10	1,3-Hexadiene, (Z)-	hexdi13z
1182	C6H10	1,4-Hexadiene, (E)-	hexdi14t
1183	C6H10	1,4-Hexadiene, (Z)-	hexdi14z
1184	C6H10	1,5-Hexadiene	c592427
1185	C6H10	1-Butyne, 3,3-dimethyl-	c917920
1186	C6H10	1-Hexyne	hexyne1
1187	C6H10	2,4-Hexadiene, (E,E)-	hexdi24ee
1188	C6H10	2,4-Hexadiene, (E,Z)-	hexdi24ez
1189	C6H10	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1190	C6H10	2-Hexyne	c764352
1191	C6H10	3-Hexyne	hexyne3
1192	C6H10	Cyclopentene, 1-methyl-	c693890
1193	C6H10	Cyclopentene, 3-methyl-	c1120623
1194	C6H10	Cyclopentene, 4-methyl-	c1759815
1195	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1196	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1197	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1198	C6H12	(E)-2-Hexene	e2hexene
1199	C6H12	(E)-3-methylpent-2-ene	c616126
1200	C6H12	(E)-hex-3-ene	e3hexene
1201	C6H12	(Z)-3-methylpent-2-ene	c922623
1202	C6H12	(Z)-hex-2-ene	z2hexene
1203	C6H12	(Z)-hex-3-ene	z3hexene
1204	C6H12	2,3-dimethylbut-1-ene	c563780
1205	C6H12	2,3-dimethyl-but-2-ene	tmeet
1206	C6H12	3-methylenepentane	c760214
1207	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1208	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1209	C6H12	Cyclohexane	cyclohexane
1210	C6H12	Cyclopentane, methyl-	c96377
1211	C6H12	Ethylcyclobutane	c4806615
1212	C6H12	hex-1-ene	hexene1
1213	C6H14	Butane, 2,2-dimethyl-	buta22
1214	C6H14	Hexane	hexane
1215	C6H14	Pentane, 2-methyl-	penta2
1216	C6H14	Pentane, 3-methyl-	penta3
1217	N3P3	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1218	C4H2N2	Fumaronitrile	c4h2n2
1219	C2H2N4	sym-tetrazine	ttz
1220	C2H4N4	1H-Tetrazole, 5-methyl-	c4076362
1221	C2H4N4	2H-Tetrazole, 2-methyl-	c16681780
1222	C5H5N	E-2,4-pentadienenitrile	bdcn
1223	B3N3H6	borazine	borazine
1224	C5H6N+	Pyridinium	c5h6n
1225	C4H6N2	1H-Imidazole, 2-methyl-	c693981
1226	C5H7N	(E)-2-Pentenenitrile	c26294984
1227	C5H7N	(E)-3-Pentenenitrile	c16529661
1228	C5H7N	(Z)-2-Pentenenitrile	c25899507
1229	C5H7N	1H-Pyrrole, 1-methyl-	c96548
1230	C5H7N	Cyclobutanecarbonitrile	c4426113
1231	C5H9N	1,2,3,6-Tetrahydropyridine	c694053
1232	C5H9N	Butanenitrile, 2-methyl-	c18936179
1233	C5H9N	Pentanenitrile	c110598
1234	C5H9N	Propanenitrile, 2,2-dimethyl-	c630182
1235	C6H10	Bicyclo[3.1.0]hexane	c285585
1236	C5H11N	Cyclopentanamine	cypentam
1237	C5H11N	Piperidine	piper
1238	C4H12N2	1,2-Butanediamine	c4426486
1239	C4H12N2	2-Methyl-1,2-propanediamine	c811938
1240	Li2CO3	Lithium Carbonate	li2co3
1241	Na2CO3	Sodium Carbonate	na2co3
1242	C2O4--	oxalate anion	c2o4
1243	MgSO4	Magnesium Sulfate	mgso4
1244	C3H2O3	vinylene carbonate	vica
1245	C2H2O4	Oxalic Acid	oxalic
1246	C4H4O2	2(5H)-Furanone	furanone
1247	C4H4O2	2-Oxetanone, 4-methylene-	c674828
1248	C2H4N2S2	Ethanedithioamide	c79403
1249	C2H4CO3	Ethylene carbonate	etco3
1250	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1251	C3H4S3	1,3-Dithiolane-2-thione	c822388
1252	C2H4O4	Formic acid dimer	fadimer
1253	C4H5NO	3-Methylisoxazole	isox3m
1254	C4H5NO	Isoxazole, 5-methyl-	c5765446
1255	C4H5NS	4-Methylthiazole	c693958
1256	C2H5NO3	Nitric acid, ethyl ester	c625581
1257	C5H6O	2H-Pyran	pyran2
1258	C5H6O	2-methylfuran	furan2m
1259	C5H6O	3-Methylfuran	furan3m
1260	C5H6O	Pentadienal	pdal
1261	C5H6S	Thiophene, 2-methyl-	c554143
1262	C5H6S	Thiophene, 3-methyl-	c616444
1263	C4H6O2	γ–Butyrolactone	c96480
1264	C4H6O2	2,3-Butanedione	c431038
1265	C4H6O2	2-Propenoic acid, methyl ester	c96333
1266	C4H6O2	Crotonic Acid	crot
1267	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1268	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1269	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1270	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1271	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1272	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1273	C4H6OS	Vinyl sulfoxide	c1115157
1274	CH6N4S	Carbonothioic dihydrazide	thiacarb
1275	C2H6N2O2	(E)-Azodioxymethane	c37765154
1276	C2H6N2O2	Dimethylnitroamine	c4164287
1277	C3H6S3	1,3,5-Trithiane	c3h6s3
1278	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1279	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1280	C4H7NO	Ethoxyacetonitrile	etoaccn
1281	C4H7NO	Methacrylamide	c79390
1282	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1283	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1284	C3H7ONO	Propyl nitrite	prono
1285	CH3CH(CH3)ONO	Isopropyl nitrite	c541424
1286	NH2COOC2H5	Urethane	urethane
1287	C5H8O	2H-Pyran, 3,4-dihydro-	c110872
1288	C5H8O	Cyclopentanone	c120923
1289	C5H8O	Furan, 2,3-dihydro-5-methyl-	c1487156
1290	C5H8O	Methyl cyclopropyl ketone	c765435
1291	N(CH3)2CONH2	Urea, N,N-dimethyl-	c598947
1292	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1293	NH2CONHC2H5	Urea, ethyl-	c625525
1294	C4H8O2	1,3-Dioxane	dioxan13
1295	C4H8O2	1,3-Dioxolane, 2-methyl-	c497267
1296	C4H8O2	1,4-Dioxane	dioxan14
1297	C4H8O2	Ethene, 1,1-dimethoxy-	c922690
1298	C4H8O2	Ethyl acetate	c141786
1299	C4H8OS	s-Ethyl thioacetate	c625605
1300	C3H8O3	1,2,3-Propanetriol	glycerin
1301	C3H8O2S	(Methylsulfonyl)ethane	c594434
1302	C4H9NO	Butanamide	c541355
1303	C4H9NO	Propanamide, 2-methyl-	c563837
1304	C5H10O	2-Butanone, 3-methyl-	c563804
1305	C5H10O	2H-Pyran, tetrahydro-	c142687
1306	C5H10O	2-methylbutyraldehyde	2meba
1307	C5H10O	3-Pentanone	dek
1308	C5H10O	Cyclopentanol	c96413
1309	C5H10O	Oxetane, 3,3-dimethyl-	c6921353
1310	C5H10O	Pentanal	pal
1311	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1312	C5H10S	3-Ethylthio-1-propene	c5296628
1313	C5H10S	Cyclopentanethiol	c1679078
1314	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1315	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1316	C4H10O2	1,1-Dimethoxyethane	c534156
1317	C4H10O2	Ethane, 1,2-dimethoxy-	c110714
1318	C4H10OS	Diethyl sulfoxide	c70291
1319	C4H10S2	1,4-Butanedithiol	budisl14
1320	C4H11NO	Diethylhydroxylamine	c3710847
1321	C5H12O	1-Butanol, 2-methyl-	c137326
1322	C5H12O	1-Butanol, 3-methyl-	c123513
1323	C5H12O	1-Pentanol	pentanol1
1324	C5H12O	2-Butanol, 3-methyl-	c598754
1325	C5H12O	2-Pentanol	peol2
1326	C5H12O	3-Pentanol	pentan3ol
1327	C5H12O	Propane, 1-ethoxy-	proet
1328	C5H12O	Propane, 2-methoxy-2-methyl-	c1634044
1329	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1330	C5H12S	1-Butanethiol, 3-methyl-	c541311
1331	C5H12S	1-Pentanethiol	c110667
1332	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1333	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1334	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1335	C5H12S	Butane, 1-(methylthio)-	c628295
1336	C5H12S	Ethyl propyl sulfide	c4110503
1337	C5H12S	Propane, 2-(ethylthio)-	c5145993
1338	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1339	C4F2	difluorobutadiyne	c4f2
1340	ClCOClCO	Oxalyl chloride	oxcl
1341	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1342	C2F4+	Tetrafluoroethylene cation	c2f4+
1343	C2ClF3	Ethene, chlorotrifluoro-	c2f3cl
1344	CF2CCl2	difluorodichloroethylene	cf2ccl2
1345	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1346	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1347	C2FCl3	fluorotrichloroethene	c2fcl3
1348	C2Br4	tetrabromoethene	c2br4
1349	AsF5	Arsenic pentafluoride	asf5
1350	SF5	Sulfur pentafluoride	sf5
1351	SF5+	pentafluoro sulfur cation	sf5+
1352	SbCl5	Antimony pentachloride	sbcl5
1353	BrF5	bromine pentafluoride	brf5
1354	IF5	pentafluoroiodine	if5
1355	CF3CHO	trifluoroacetaldehyde	cf3cho
1356	CCl3CHO	trichloroacetaldehyde	ccl3cho
1357	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1358	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1359	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1360	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1361	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1362	CH2ClCCl3	1,1,1,2-tetrachloroethane	ch2clccl3
1363	CH2BrCBr3	1,1,1,2-tetrabromo ethane	c2h2br4
1364	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1365	CF3COOH	trifluoroacetic acid	cf3cooh
1366	C4H3ClO	Furan, 2-chloro	fur2cl
1367	C4H3ClO	Furan,3-chloro	fur3cl
1368	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1369	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1370	C4H8Cl2	1,4-Dichlorobutane	c110565
1371	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1372	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1373	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1374	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1375	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1376	C5H11Cl	Pentane, 1-chloro-	pencl1
1377	C4H8O2	Butanoic acid	bua
1378	C7H7	cycloheptatrienyl radical	c7h7
1379	C7H7+	cycloheptatrienyl cation	c7h7+
1380	C6H5CH3	toluene	toluene
1381	C7H8	cycloheptatriene	cht
1382	C7H8	Norbornadiene	norbor
1383	C7H8	Quadricyclane	qucy
1384	C7H12	Norbornane	nor
1385	C7H14	cycloheptane	c7h14
1386	C7H16	2-methylhexane	2mhex
1387	C7H16	3-methylhexane	hex3m
1388	CH(CN)3	tricyanomethane	mecn3
1389	HN=C=C(CN)2	Dicyanoketenimine	c4hn3
1390	C6H7N	2-Methylpyridine	mp
1391	C6H13N	2-Methylpiperidine	pip2m
1392	C6H13N	cyclohexanamine	cham
1393	C6H15N	triethylamine	tea
1394	N2O5	Dinitrogen pentoxide	n2o5
1395	C4H2O3	Maleic Anhydride	malan
1396	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1397	C5H4O2	furfural	furfural
1398	C6H5O	phenoxy radical	phenoxy
1399	C5H5NO	2(1H)-Pyridinone	c72762006
1400	C5H5NO	2(3H)-Pyridinone	c9000048
1401	C5H5NO	2(5H)-Pyridinone	c9000037
1402	C5H5NO	2-Pyridinol	c109104
1403	C5H5NO	3(2H)-Pyridinone	c9000004
1404	C5H5NO	3(4H)-Pyridinone	c9000026
1405	C5H5NO	3(6H)-Pyridinone	c9000015
1406	C5H5NO	3-Pyridinol	c109002
1407	C5H5NO	4(1H)-Pryidinone	c9000060
1408	C5H5NO	4(3H)-Pryidinone	c9000059
1409	C5H5NO	4-Pyridinol	c626642
1410	C6H6O	2,4-Cyclohexadienone	c24599573
1411	C6H6O	2,5-Cyclohexadienone	c5664335
1412	C6H5SH	Benzenethiol	phsh
1413	HO2CCHNH2CH2OH	Serine	serine
1414	C5H8O2	Acetylacetone	acac
1415	C4H8O2S	Sulfolane	sulfolane
1416	C7H10	Norbornene	norbornene
1417	CH(C2H3)3	trivinyl methane	tvm
1418	C6H12O	hexanal	c6h12o
1419	C6H12O	Oxepane	oxepane
1420	C3H7OC3H7	di-n-propyl ether	propr
1421	F2CCCF2	tetrafluoroallene	pfa
1422	CF3COO-	trifluoro acetate anion	cf3coo-
1423	CF3COF	trifluoroacetyl fluoride	cf3cof
1424	CF3COCl	trifluoroacetyl chloride	cf3cocl
1425	PF6	Hexafluorophosphate neutral	pf6
1426	SeF6	Selenium hexafluoride	sef6
1427	CF3CHF2	pentafluoroethane	cf3chf2
1428	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1429	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1430	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1431	CCl3CHCl2	pentachloroethane	ccl3chcl2
1432	C6H5Cl	chlorobenzene	bzcl
1433	C6H5Br	bromobenzene	bzbr
1434	C8H6	Calicene	calicene
1435	C8H6	benzocyclobutadiene	bcbd
1436	C8H6	Pentalene	pentalene
1437	CH3C6H4CH3	meta-xylene	mxylene
1438	CH3C6H4CH3	paraxylene	pxylene
1439	C8H14	Bicyclo[2.2.2]octane	bico222
1440	C8H16	cyclooctane	cyclooct
1441	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1442	C8H18	Octane	c8h18
1443	C6H5CN	phenyl cyanide	phcn
1444	C6H12N2	Triethylenediamine	ted
1445	C4O4--	squarate dianion	c4o4--
1446	S4N4	Tetrasulfur tetranitride	s4n4
1447	C6H4O2	parabenzoquinone	pbq
1448	C4H4N2O2	Uracil	uracil
1449	C5H9NO2	Proline	proline
1450	C6H12O2	Methyl pivalate	c598981
1451	C6H12O2	Hexanoic acid	hexa
1452	C4F4	tetrafluorcyclobutadiene	c4f4
1453	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1454	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1455	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1456	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1457	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1458	C2Cl6	hexachloroethane	c2cl6
1459	IF7	Iodine heptafluoride	if7
1460	C6H4F2	metadifluorobenzene	mdfb
1461	C6H4F2	orthodifluorobenzene	odfb
1462	C6H4F2	1,4-difluorobenzene	pdfb
1463	C6H4Cl2	1,2-dichlorobenzene	dcb12
1464	C6H4Cl2	1,3-dichlorobenzene	dcb13
1465	C6H4Cl2	1,4-dichlorobenzene	dcb14
1466	C6H5NO	nitrosobenzene	bzno
1467	C9H8	Indene	indene
1468	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1469	C9H12	n-propyl benzene	prbz
1470	C9H20	Nonane	nonane
1471	C(CN)4	tetracyanomethane	c5n4
1472	C5H4N4	purine	purine
1473	C8H7N	Indole	indole
1474	C3H3N3O3	cyanuric acid	cyanuric
1475	C6H5NO2	Nitrobenzene	c6h5no2
1476	CH3COC6H5	acetophenone	acph
1477	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1478	C3F6	hexafluoropropene	c3f6
1479	C6H3F3	Benzene trifluoride 123	bzf3a
1480	C8H18O	1-Octanol	octanol
1481	C10H8	Azulene	azu
1482	C10H10	bullvalene	bullv
1483	C10H16	adamantane	adamantane
1484	C6N4	Tetracyanoethylene	tcne
1485	C6N4-	tetracyanoethylene anion	tcne-
1486	C10H22	Decane	decane
1487	C4F6	perfluorobutadiene	c4f6
1488	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1489	C3F8	perfluoropropane	c3f8
1490	Fe(CO)5	Iron pentacarbonyl	ipc
1491	Fe(C5H5)2	ferrocene	fecp2
1492	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1493	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1494	C12H8	Acenaphthylene	acenaph
1495	C12H8	biphenylene	biph
1496	C12H10	biphenyl	biphenyl
1497	C12H10	Heptalene	heptalene
1498	C6H12O6	Inositol	inositol
1499	C6F6	hexafluorobenzene	c6f6
1500	S2F10	disulphur decafluoride	s2f10
1501	C13H10	Fluorene	fluorene
1502	C14H10	Anthracene	anth
1503	C14H10	Phenanthrene	phenanthrene
1504	C14H14	Bibenzyl	bibenzyl
1505	C12H10N2	azobenzene	azobenzene
1506	C6H5COC6H5	benzophenone	benzophenone
1507	C16H10	Pyrene	pyrene
1508	C18H12	Tetracene	tetracene
1509	C19H16	Triphenylmethane	tpm
1510	C24H12	Coronene	coronene
1511	C60	Buckminsterfullerene	c60