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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XII	Geometries
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XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities

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

List of which calculations are completed at B3LYP /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 cation	1S	Kh
14	LiH	Lithium Hydride	1Σ	C∞v
15	LiH-	lithium hydride anion	2Σ	C∞v
16	LiH+	lithium hydride cation	2Σ	C∞v
17	NaH	sodium hydride	1Σ	C∞v
18	NaH-	sodium hydride anion	2Σ	C∞v
19	NaH+	sodium hydride cation	2Σ	C∞v
20	Be	Beryllium atom	1S	Kh
21	BeH	beryllium monohydride	2Σ	C∞v
22	BeH-	berylium monohydride anion	1Σ	C∞v
23	BeH+	beryllium monohydride cation	1Σ	C∞v
24	MgH	magnesium monohydride	2Σ	C∞v
25	MgH-	magnesium monohydride anion	1Σ	C∞v
26	MgH+	magnesium monohydride cation	1Σ	C∞v
27	BeH2	beryllium dihydride	1Σg	D∞h
28	B	Boron atom	2P	Kh
29	BH	Boron monohydride	1Σ	C∞v
30	BH-	boron monohydride anion	2Π	C∞v
31	BH+	boron monohydride cation	2Σ	C∞v
32	AlH	aluminum monohydride	1Σ	C∞v
33	BH2	boron dihydride	2A1	C2v
34	AlH2	aluminum dihydride	2A1	C2v
35	BH3	boron trihydride	1A1'	D3h
36	AlH3	aluminum trihydride	1A1'	D3h
37	BH4-	borohydride anion	1A1	Td
38	AlH4-	Aluminum tetrahydride anion	1A1	Td
39	C	Carbon atom	3P0	Kh
40	Si	Silicon atom	3P	Kh
41	CH	Methylidyne	2Π1/2	C∞v
42	CH-	methylidyne anion	3Σ	C∞v
43	CH+	Methylidyne cation	1Σ	C∞v
44	SiH	Silylidyne	2Π	C∞v
45	CH2	Methylene	3B1	C2v
46	CH2	Methylene	1A1	C2v
47	CH2-	methylene anion	2B1	C2v
48	CH2+	methylene cation	2A1	C2v
49	SiH2	silicon dihydride	1A1	C2v
50	SiH2	silicon dihydride	3B1	C2v
51	CH3	Methyl radical	2A1	D3h
52	CH3-	methyl anion	1A1	C3v
53	CH3+	methyl cation	1A1'	D3h
54	SiH3	Silyl radical	2A1	C3v
55	SiH3+	Silyl cation	1A1'	D3h
56	CH4	Methane	1A1	Td
57	SiH4	Silane	1A1	Td
58	P	Phosphorus atom	4S	Kh
59	NH	Imidogen	3Σ-	C∞v
60	NH	Imidogen	1Σ+	C∞v
61	NH-	Imidogen anion	2Π	C∞v
62	NH+	imidogen cation	2Π	C∞v
63	PH	phosphorus monohydride	3Σ-	C∞v
64	PH	phosphorus monohydride	1Δ	C∞v
65	ND2	Amidogen-d2	2B1	C2v
66	NH2	Amino radical	2B1	C2v
67	NH2-	amino anion	1A1	C2v
68	PH2	Phosphino radical	2B1	C2v
69	ND3	Ammonia-d3	1A1	C3v
70	NH3	Ammonia	1A1	C3v
71	NH3+	ammonia cation	2A2"	D3h
72	PH3	Phosphine	1A1	C3v
73	NH4+	ammonium cation	1A1	Td
74	PH4+	phosphonium cation
75	O	Oxygen atom	3S	Kh
76	S	Sulfur atom	3P	Kh
77	DO	Hydroxyl-d	2Π	C∞v
78	OH	Hydroxyl radical	2Π	C∞v
79	OH-	hydroxide anion	1Σ	C∞v
80	OH+	hydoxyl cation	3Σ	C∞v
81	OH+	hydoxyl cation	1Σ	C∞v
82	DS	Mercapto-d	2Π	C∞v
83	HS	Mercapto radical	2Π	C∞v
84	HS-	mercapto anion	1Σ	C∞v
85	HS+	sulfur monohydride cation	3Σ	C∞v
86	D2O	Deuterium oxide	1A1	C2v
87	H2O	Water	1A1	C2v
88	H2O-	water anion	2A1	C2v
89	H2O+	water cation	2B1	C2v
90	HDO	Water-d1	1A1	C2v
91	D2S	Hydrogen sulfide-d2	1A1	C2v
92	H2S	Hydrogen sulfide	1A1	C2v
93	H2S+	Hydrogen sulfide cation	2B1	C2v
94	H3O+	hydronium cation	1A1	C3v
95	H3S+	Sulfonium cation	1A1	C3v
96	F	Fluorine atom	2P	Kh
97	Cl	Chlorine atom	2P	Kh
98	DF	Hydrofluoric acid-d	1Σ	C∞v
99	HF	Hydrogen fluoride	1Σ	C∞v
100	HF-	hydrogen fluoride anion	2Σ	C∞v
101	HF+	hydrogen fluoride cation	2Π	C∞v
102	HCl	Hydrogen chloride	1Σ	C∞v
103	HCl-	hydrogen chloride anion	2Σ	C∞v
104	HCl+	hydrogen chloride cation	2Π	C∞v
105	H2F+	dihydrogen fluoride cation	1A1	C2v
106	H2Cl+	dihydrogen monochloride cation	1A1	C2v
107	Ne	Neon atom	1S	Kh
108	NeH+	neon hydrogen cation	1Σ	C∞v
109	Li2	Lithium diatomic	1Σg	D∞v
110	Li2-	lithium diatomic anion	2Σu	D∞h
111	Li2+	lithium diatomic cation	2Σg	D∞h
112	NaLi	lithium sodium	1Σ	C∞v
113	NaLi-	lithium sodium anion	2Σ	C∞v
114	NaLi+	lithium sodium cation	2Σ	C∞v
115	Na2	Sodium diatomic	1Σg	D∞h
116	Na2-	sodium diatomic anion	2Σu	D∞h
117	Na2+	sodium diatomic cation	2Σg	D∞h
118	Be2-	Beryllium diatomic anion	2Πu	D∞h
119	Be2+	Beryllium diatomic cation	2Σu	D∞h
120	Mg2-	magnesium diatomic anion	2ΠU	D∞h
121	Mg2+	magnesium diatomic cation	2Σu	D∞h
122	B2	Boron diatomic	3Σg	D∞h
123	B2	Boron diatomic	1Σg	D∞h
124	B2	Boron diatomic	5Σu	D∞h
125	B2-	Boron diatomic anion	4Σg	D∞h
126	BAl	Boron Aluminum	3Σ	C∞v
127	B2H6	Diborane	1Ag	D2h
128	BC-	boron monocarbide anion	3Πu	C∞v
129	BC-	boron monocarbide anion	1Σg+	C∞v
130	BC+	boron monocarbide cation	3Σ	C∞v
131	BC+	boron monocarbide cation	1Σ	C∞v
132	AlC	Aluminum carbide	4Σ	C∞v
133	C2	Carbon diatomic	1Σg+	D∞h
134	C2	Carbon diatomic	3Πu	D∞h
135	C2-	carbon diatomic anion	2Σg	D∞h
136	C2+	carbon diatomic cation	2Π	D∞h
137	SiC	silicon monocarbide	3Σ	C∞v
138	SiC	silicon monocarbide	1Σ	C∞v
139	Si2	Silicon diatomic	3Σg	D∞h
140	C2H	Ethynyl radical	2Σ	C∞v
141	C2H2	Acetylene	1Σg	D∞h
142	C2H2+	acetylene cation	2Πu	D∞h
143	CCH2	vinylidene	1A1	C2v
144	C2H3	vinyl	2A'	Cs
145	C2H4	Ethylene	1Ag	D2h
146	C2H5	Ethyl radical	2A'	Cs
147	C2H6	Ethane	1A1g	D3d
148	CH3SiH3	methyl silane	1A1	C3
149	Si2H6	disilane	1Eu	D3d
150	BeN-	Beryllium mononitride anion	1Σ	C∞v
151	BN-	boron nitride anion	2Σ	C∞v
152	BN	boron nitride	3Π	C∞v
153	BN	boron nitride	1Σ	C∞v
154	BN+	boron nitride cation	2Π	C∞v
155	AlN	Aluminum nitride	3Πi	C∞v
156	CN	Cyano radical	2Σ	C∞v
157	CN-	cyanide anion	1Σ	C∞v
158	CN+	Cyano cation	1Σ	C∞v
159	CP	Carbon monophosphide	2Σ	C∞v
160	SiN	Silicon nitride	2Σ	C∞v
161	SiP	Silicon monophosphide	2Π	C∞v
162	N2	Nitrogen diatomic	1Σg	D∞h
163	N2-	nitrogen diatomic anion	2Πg	D∞h
164	N2+	diatomic nitrogen cation	2Σg	D∞h
165	PN	Phosphorus mononitride	1Σ	C∞v
166	P2	Phosphorus diatomic	1Σg	D∞h
167	HNC	hydrogen isocyanide	1Σ	C∞v
168	HCN	Hydrogen cyanide	1Σ	C∞v
169	HCN+	hydrogen cyanide cation	2Π	C∞v
170	HCP	Phosphaethyne	1Σ	C∞v
171	NNH	Dinitrogen monohydride	2A'	Cs
172	HPO	Hydrogen phosphorus oxide	1A'	Cs
173	N2H2	(E)-diazene	1Ag	C2h
174	CH2NH	Methanimine	1A'	Cs
175	CH2PH	Phosphaethene	1A'	Cs
176	CH2NH2+	methyleneamine cation	1A1	C2v
177	N2H4	Hydrazine	1A	C2
178	P2H4	Diphosphine	1A	C2
179	CH3NH2	methyl amine	1A'	Cs
180	BH3PH3	borane phosphine
181	LiO	lithium oxide	2Σ	C∞v
182	LiO-	lithium oxide anion	1Σ	C∞v
183	LiO+	lithium oxide cation	3Σ	C∞v
184	LiO+	lithium oxide cation	1Σ	C∞v
185	LiS	Lithium monosulfide	2Π	C∞v
186	NaO-	sodium oxide anion	1Σ	C∞v
187	NaO+	sodium oxide cation	3Σ	C∞v
188	BeO	beryllium oxide	1Σ	C∞v
189	BeO-	Beryllium monoxide anion	2Σ	C∞v
190	BeO+	Beryllium monoxide cation	2Π	C∞v
191	BeS	beryllium sulfide	1Σ	C∞v
192	MgO	magnesium oxide	1Σ+	C∞v
193	MgO-	magnesium oxide anion	2Σ	C∞v
194	MgO+	magnesium oxide cation	2Π	C∞v
195	MgS	magnesium sulfide	1Σ	C∞v
196	CaS	Calcium sulfide	1Σ	C∞v
197	BO	boron monoxide	2Σ	C∞v
198	BO-	boron monoxide anion	1Σ	C∞v
199	AlO	Aluminum monoxide	2Σ	C∞v
200	BS	boron sulfide	2Σ	C∞v
201	AlS	Aluminum sulfide	2Σ	C∞v
202	BO+	boron monoxide cation	1Σ	C∞v
203	CO	Carbon monoxide	1Σ	C∞v
204	CO-	carbon monoxide anion	2Π	C∞v
205	CO+	carbon monoxide cation	2Σ	C∞v
206	CS	carbon monosulfide	1Σ	C∞v
207	SiO	Silicon monoxide	1Σ	C∞v
208	SiS	silicon monosulfide	1Σ	C∞v
209	GeO	Germanium monoxide	1Σ	C∞v
210	SiSe	Silicon Monoselenide
211	NO	Nitric oxide	2Π	C∞v
212	NO-	nitric oxide anion	3Σ	C∞v
213	NO-	nitric oxide anion	1Δ	C∞v
214	NO+	nitric oxide cation	1Σ	C∞v
215	NS	Mononitrogen monosulfide	2Π	C∞v
216	PO	Phosphorus monoxide	2Π	C∞v
217	PS	phosphorus sulfide	2Σ	C∞v
218	O2	Oxygen diatomic	3Σg	D∞h
219	O2-	oxygen diatomic anion	2Π	D∞h
220	O2+	diatomic oxygen cation	2Πg	D∞h
221	SO	Sulfur monoxide	3Σ	C∞v
222	SO	Sulfur monoxide	1Σ	C∞v
223	S2	Sulfur diatomic	3Σg	D∞h
224	S2+	sulfur diatomic cation	2Π	D∞h
225	Se2	Selenium diatomic	3Σg	D∞h
226	LiOH	lithium hydroxide	1Σ	C∞v
227	BeOH	beryllium monohydroxide	2A'	Cs
228	HBO	Boron hydride oxide	1Σ	C∞v
229	HBS	hydrogen boron sulfide	1Σ	C∞v
230	HCO	Formyl radical	2A'	Cs
231	HCS	Thioformyl radical	2A'	Cs
232	HNO	Nitrosyl hydride	1A'	Cs
233	HO2	Hydroperoxy radical	2A"	Cs
234	HSO+	Sulfur Monoxide, S-protonated
235	SOH	Sulfur Hydroxide
236	SOH+	Sulfur Monoxide, protonated
237	H2CO	Formaldehyde	1A1	C2v
238	H2CO+	formaldehyde cation	2B2	C2v
239	H2CS	Thioformaldehyde	1A1	C2v
240	H2CSe	Selenoformaldehyde
241	H2O2	Hydrogen peroxide	1A	C2
242	H2S2	Disulfane	1A	C2
243	H2S2+	hydrogen disulfide cation	2Bg	C2h
244	CH2OH	Hydroxymethyl radical	2A	C1
245	CH2OH+	hydroxymethyl cation	1A'	Cs
246	CH3O	Methoxy radical	2A'	C1
247	CH3S	thiomethoxy	2A'	C3v
248	H2CSH+	Thioformaldehyde, protonated	1A'	Cs
249	NH2OH	hydroxylamine	1A'	Cs
250	H2POH	Phosphinous acid	1A1'	CS trans
251	H2POH	Phosphinous acid	1A1'	CS cis
252	H3PO	Phosphine oxide	1A1	C3v
253	CH3OH	Methyl alcohol	1A'	Cs
254	CH3SH	Methanethiol	1A'	Cs
255	CH3SH2+	protonated methylsulfide	1A'	Cs
256	LiF	lithium fluoride	1Σ	C∞v
257	LiCl	lithium chloride	1Σ	C∞v
258	LiCl-	lithium chloride anion	2Σ	C∞v
259	LiCl+	lithium chloride cation	2Π	C∞v
260	NaF	sodium fluoride	1Σ	C∞v
261	NaF-	sodium fluoride anion	2Σ	C∞v
262	NaF+	sodium fluoride cation	2Σ	C∞v
263	NaCl	Sodium Chloride	1Σ	C∞v
264	NaCl-	sodium chloride anion	2Σ	C∞v
265	NaCl+	sodium chloride cation	2Π	C∞v
266	LiF-	lithium fluoride anion	2Σ	C∞v
267	LiF+	lithium fluoride cation	2Π	C∞v
268	BeF	Beryllium monofluoride	2Σ	C∞v
269	BeF-	Beryllium monofluoride anion	1Σ	C∞v
270	BeF+	Beryllium monofluoride cation	1Σ	C∞v
271	BeCl	beryllium monochloride	2Σ	C∞v
272	MgF	Magnesium monofluoride	2Σ	C∞v
273	MgF-	magnesium fluoride anion	1Σ	C∞v
274	MgF+	magnesium fluoride cation	1Σ	C∞v
275	MgCl	magnesium monochloride	2Σ	C∞v
276	MgCl-	magnesium monochloride anion	1Σ	C∞v
277	MgCl+	magnesium monochloride cation	1Σ	C∞v
278	BeCl-	beryllium monochloride anion	1Σ	C∞v
279	BeCl+	beryllium monochloride cation	1Σ	C∞v
280	BF	Boron monofluoride	1Σ	C∞v
281	BF-	Boron monofluoride anion	2Π	C∞v
282	BF+	Boron monofluoride cation	2Σ	C∞v
283	AlF	Aluminum monofluoride	1Σ+	C∞v
284	BCl	boron monochloride	1Σ	C∞v
285	BCl-	boron monochloride anion	2Π	C∞v
286	BCl+	boron monochloride cation	2Σ	C∞v
287	AlCl	Aluminum monochloride	1Σ	C∞v
288	AlCl-	aluminum monochloride anion	2Π	C∞v
289	AlCl+	aluminum monochloride cation	2Σ	C∞v
290	CF	Fluoromethylidyne	2Π	C∞v
291	CF-	carbon monofluoride anion	3Σ	C∞v
292	CF-	carbon monofluoride anion	1Σ	C∞v
293	CF+	carbon monofluoride cation	1Σ	C∞v
294	CCl	carbon monochloride	2Π	C∞v
295	CCl-	carbon monochloride anion	3Σ	C∞v
296	CCl+	carbon monochloride cation	1Σ	C∞v
297	SiF	silicon monofluoride	2Π	C∞v
298	SiF+	silicon monofluoride cation	1Σ	C∞v
299	SiCl	Clorosilylidyne	2Π	C∞v
300	SiCl-	silicon monochloride anion	3Σ	C∞v
301	SiCl+	silicon monochloride cation	1Σ	C∞v
302	NF	nitrogen fluoride	3Σ	C∞v
303	NF	nitrogen fluoride	1Σ	C∞v
304	NF-	nitrogen monofluorine anion	2Π	C∞v
305	NF+	nitrogen monofluoirde cation	2Π	C∞v
306	NCl	nitrogen monochloride	3Σ	C∞v
307	NCl-	nitrogen monochloride anion	2Π	C∞v
308	NCl+	nitrogen monochloride cation	2Π	C∞v
309	PF	phosphorus monofluoride	3Σ	C∞v
310	PCl	phosphorus chloride	3Σ	C∞v
311	PCl-	phosphorus monochloride anion	2Π	C∞v
312	PCl+	phosphorus monochloride cation	2Π	C∞v
313	FO	Oxygen monofluoride	2Π	C∞v
314	FO-	flourine oxide anion	1Σ	C∞v
315	FO+	fluorine monoxide cation	3Σ	C∞v
316	ClO	Monochlorine monoxide	2Π	C∞v
317	ClO+	chlorine monoxide cation	3Σ	C∞v
318	SF	Monosulfur monofluoride	2Π	C∞v
319	SF+	sulfur monofluoride cation	3Σ	C∞v
320	SCl	sulfur monochloride	2Π	C∞v
321	SCl-	sulfur monochloride anion	1Σ	C∞v
322	SCl+	sulfur monochloride cation	3Σg	C∞v
323	SBr	Sulfur monobromide radical
324	F2	Fluorine diatomic	1Σg	D∞h
325	F2-	flourine diatomic anion	2Σu	D∞h
326	F2+	flourine diatomic cation	2Πg	D∞h
327	ClF	Chlorine monofluoride	1Σ+	C∞v
328	ClF-	clorine monofluoride anion	2Σ	C∞v
329	ClF+	clorine monofluoride cation	2Π	C∞v
330	Cl2	Chlorine diatomic	1Σg	D∞h
331	Cl2-	chlorine diatomic anion	2Σu	D∞h
332	Cl2+	chlorine diatomic cation	2Πg	D∞h
333	HCF	Fluoromethylene	1A'	Cs
334	HOF	Hypofluorous acid	1A'	Cs
335	HOCl	hypochlorous acid	1A'	Cs
336	CH2Cl	chloromethyl radical	2A'	Cs
337	H2F2	Hydrogen fluoride dimer	1Ag	Cs
338	CH3F	Methyl fluoride	1A1	C3v
339	CH3Cl	Methyl chloride	1A1	C3v
340	SiH3F	monofluorosilane	1A1	C3v
341	SiH3Cl	chlorosilane	1A1	C1
342	C3	carbon trimer	1Σg	D∞h
343	C3H3	Propargyl radical	2B1	Cs
344	CH2CCH2	allene	1A1	D2d
345	CH3CCH	propyne	1A'	C3v
346	C3H6	Cyclopropane	1A1'	D3h
347	CH2CHCH3	Propene	1A'	Cs
348	C3H7	n-Propyl radical	2A"	C1
349	C3H8	Propane	1A1	C2v
350	SiH2(CH3)2	dimethylsilane	1A1	C2v
351	Si3H8	trisilane
352	HN3	hydrogen azide	1A'	Cs
353	CH2NN	diazomethane	1A1	C2v
354	CH3CN	Acetonitrile	1A1	C3v
355	CH3NC	methyl isocyanide	1A1	C3v
356	NHCHNH2	aminomethanimine	1A	C1
357	C2H5N	Aziridine	1A'	C1
358	CH3CH2NH2	Ethylamine	1A'	Cs
359	CH3NHCH3	Dimethylamine	1A'	Cs
360	Li2O	dilithium oxide	1Σg	D∞h
361	Li2S	dilithium sulfide	1ΣG	D∞h
362	Li2S	dilithium sulfide	1A1	C2v
363	SCN	thiocyanato radical	2Π	C∞v
364	SCN-	thiocyanide anion	1Σ	C∞v
365	BO2	Boron dioxide	2A'	D∞h
366	N2O	Nitrous oxide	1Σ	C∞v
367	NNS	Nitrogen sulfide	1Σ	C∞v
368	CO2	Carbon dioxide	1Σg	D∞h
369	OCS	Carbonyl sulfide	1Σ	C∞v
370	SiO2	silicon dioxide	1Σg	D∞h
371	CS2	Carbon disulfide	1Σg	D∞h
372	SiS2	Silicon disulfide	1ΣG	D∞h
373	NO2	Nitrogen dioxide	2A1	C2v
374	NSO	sulfinyl amidogen
375	PO2	Phosphorus dioxide	2A1	C2v
376	SNO	Nitrogen oxide sulfide
377	O3	Ozone	1A1	Cs
378	SO2	Sulfur dioxide	1A1	C2v
379	SSO	Disulfur monoxide	1A'	Cs
380	S3	Sulfur trimer	1A1	C2v
381	S3	Sulfur trimer
382	S3-	Sulfur trimer anion	2B1	C2v
383	S3+	Sulfur trimer cation	2B2	C2v
384	HCCO	ketenyl radical	2A"	Cs
385	HCNO	fulminic acid	1Σ	C∞v
386	HNCO	Isocyanic acid	1A'	Cs
387	HOCN	cyanic acid	1A'	Cs
388	HCO2-	formate anion	1A1	C2v
389	HOCO	Hydrocarboxyl radical	1A'	cis
390	HOCO	Hydrocarboxyl radical	1A'	trans
391	HNO2	Nitrous acid	1A'	Cs
392	CH2CO	Ketene	1A1	C2v
393	HCCOH	ethynol	1A'	Cs
394	CH2CS	Thioketene
395	CH2O2	Dioxirane	1A1	C2v
396	HCOOH	Formic acid	1A'	Cs
397	HSSSH	trisulfane	1A	C2
398	HSSSH	trisulfane	1A'	Cs
399	CH3CO	Acetyl radical	2A'	Cs
400	CHONH2	formamide	1A'	Planar
401	CH3OO	methylperoxy radical	2A"	Cs
402	C2H4O	Ethylene oxide	1A1	C2v
403	CH2CHOH	ethenol	1A'	Cs
404	CH3CHO	Acetaldehyde	1A'	Cs
405	C2H4S	Thiirane	1A1	C2v
406	CH3CHS	Thioacetaldehyde	1A'	C1
407	CH3OOH	Methyl peroxide	1A	C1
408	CH3SSH	Hydrogen methyl disulfide
409	CH3CH2OH	Ethanol	1A'	Cs
410	CH3OCH3	Dimethyl ether	1A1	C2v
411	CH3CH2SH	ethanethiol	1A'	Cs
412	CH3SCH3	Dimethyl sulfide	1A1	C2v
413	FCN	Cyanogen fluoride	1Σ	C∞v
414	ClCN	chlorocyanogen	1Σ	C∞v
415	MgCl2	Magnesium dichloride	1Σg	C2v
416	FNO	Nitrosyl fluoride	1A'	Cs
417	ClNO	Nitrosyl chloride	1A'	Cs
418	FNS	Thionitrosyl fluoride	1A'	Cs
419	FSN	Thiazyl fluoride	1A'	Cs
420	OPCl	Phosphorus oxychloride
421	CF2	Difluoromethylene	1A1	D∞h
422	CCl2	dichloromethylene	1A1	C2v
423	SiCl2	Dichlorosilylene	1A1	C2v
424	GeCl2	Germanium dichloride	1A1	C2v
425	FOO	Dioxygen monofluoride radical	2A"	Cs
426	ClOO	chloroperoxy radical	2A"	Cs
427	OClO	Chlorine dioxide	2B1	D∞h
428	ClSO	Sulfur chloride oxide	2A"	Cs
429	ClS2	Sulfur chloride	2A"	Cs
430	NF2	Difluoroamino radical	2B1	C2v
431	FClO	chlorosyl fluoride	1A'	Cs
432	F2O	Difluorine monoxide	1A1	C2v
433	ClOF	Chlorine hypofluorite	1A'	Cs
434	SF2	sulfur difluoride	1A1	C2v
435	Cl2O	Dichlorine monoxide	1A1	C2v
436	SCl2	Sulfur dichloride	1A1	C2v
437	SeCl2	Selenium Dichloride
438	SBr2	Sulfur dibromide
439	SeBr2	Selenium dibromide
440	HCCF	Fluoroacetylene	1Σ	C∞v
441	HFCO	formyl fluoride	1A'	Cs
442	BHF2	Difluoroborane	1A1	C2v
443	BHCl2	Borane, dichloro-	1A1	C2v
444	CH2F2	Methane, difluoro-	1A1	C2v
445	CH2FCl	fluorochloromethane	1A'	Cs
446	CH2Cl2	Methylene chloride	1A1	C2v
447	SiH2Cl2	dichlorosilane	1A1	C2v
448	CH2CHF	Ethene, fluoro-	1A'	Cs
449	C2H3Cl	Ethene, chloro-	1A'	Cs
450	C2H5F	fluoroethane	1A'	Cs
451	C4	Carbon tetramer	3Σg	D∞h
452	C4H2	Diacetylene	1Σg	D∞h
453	C2H3CCH	1-Buten-3-yne	1A'	C1
454	H2CCCCH2	Butatriene	1Ag	D2h
455	C4H6	1-Methylcyclopropene	1A	C1
456	C4H6	Cyclobutene	1A1	C2v
457	C4H6	Methylenecyclopropane	1A1	C2v
458	CH2CCHCH3	1,2-Butadiene	1A'	C1
459	CH2CHCHCH2	1,3-Butadiene	1Ag	C2h
460	CH3CCCH3	2-Butyne	1A1'	D3h
461	CH2C(CH3)CH3	1-Propene, 2-methyl-	1A1	C2v
462	CH3CHCHCH3	2-Butene, (E)-	1Ag	C2h
463	CH3CHCHCH3	2-Butene, (Z)-	1A1	C2v
464	C(CH3)3	Tert-butyl radical	2A"	C3v
465	CH2CH(CH3)2	Isobutyl radical	2A'	C1
466	CH3CHCH2CH3	2-Butyl radical	1A	C1
467	CH3CH(CH3)CH3	Isobutane	1A1	C3v
468	CH3CH2CH2CH3	Butane	1Ag	Anti
469	SiH(CH3)3	trimethylsilane	1A1	C3v
470	C2N2	Cyanogen	1Σg	D∞h
471	P4	Phosphorus tetramer	1A1	Td
472	HCCCN	Cyanoacetylene	1Σ	C∞v
473	C3H3N	acrylonitrile	1A'	Cs
474	C3H7N	Cyclopropylamine	1A'	C1
475	C4H8	cyclobutane	1A1	D2d
476	C2H8N2	Ethylenediamine	1Ag	C2h
477	CH3CH(NH2)CH3	2-Propanamine	1A'	Cs
478	N(CH3)3	Trimethylamine	1A1	C3v
479	B2O2	Diboron dioxide	1Σg	D∞h
480	S2N2	Disulfur dinitride	1AG	D2h
481	CO3--	carbonate	1A1'	D3h
482	CS3--	Carbonotrithioate
483	NO3	Nitrogen trioxide	2A1'	all bonds equal
484	SO3	Sulfur trioxide	1A1'	D3h
485	S4	Sulfur tetramer
486	S4	Sulfur tetramer
487	S4	Sulfur tetramer
488	HNO3	Nitric acid	1A'	Cs
489	C2H2O2	Ethanedial	1Ag	C2h
490	CH3COO-	acetate anion	1A'	eclipsed
491	CH3ONO	Methyl nitrite	1A'	C1
492	H3AlO3	Aluminum hydroxide
493	C3H4O	allenol	1A'	Cs
494	C3H4O	Cyclopropanone	1A1	C2v
495	CH2CHCHO	Acrolein	1A'	Cs
496	NH2CONH2	Urea	1A	C2
497	NH2CSNH2	Thiourea	1A	C2
498	CH3COOH	Acetic acid	1A'	Cs
499	CH3OCHO	methyl formate	1A'	Cs
500	CHOCH2OH	hydroxy acetaldehyde	1A'	CS H in
501	CH3CHNOH	Acetaldoxime	1A'	CS trans
502	CH3CONH2	Acetamide	1A'	C1
503	CH3CSNH2	Ethanethioamide
504	C3H6O	Propylene oxide	1A	C1
505	CH3CH2CHO	Propanal	1A'	Cs
506	CH3COCH3	Acetone	1A1	C2v
507	C3H6S	Thietane	1A'	Cs
508	C2H6O2	1,2-Ethanediol	1Ag	C2h
509	CH3SSCH3	Disulfide, dimethyl	1A	C2
510	C3H7OH	1-Propanol	1A'	Cs
511	CH3CHOHCH3	Isopropyl alcohol	1A	C1
512	CH3OC2H5	Ethane, methoxy-	1A'	Cs
513	C2F2	difluoroacetylene	1Σg	D∞h
514	C2Cl2	dichloroacetylene	1Σg	C2h
515	ClNO2	Nitryl chloride	1A1	C2v
516	N2F2	(Z)-Difluorodiazene	1A1	C2v
517	N2F2	Dinitrogen difluoride, (E)-	1Ag	C2h
518	CF2O	Carbonic difluoride	1A1	C2v
519	CCl2O	Phosgene	1A1	C2v
520	Cl2CS	Thiophosgene	1A1	C2v
521	BF3	Borane, trifluoro-	1A'	D3h
522	AlF3	Aluminum trifluoride	1A1'	D3h
523	AlF2Cl	Aluminum chloride difluoride	1A1	C2v
524	AlFCl2	Aluminum dichloride fluoride	1A1	C2v
525	BCl3	Borane, trichloro-	1A1'	D3h
526	AlCl3	Aluminum trichloride	1A1'	D3h
527	ClO3-	chlorate anion	1A1	C3v
528	CF3	Trifluoromethyl radical	2A1	C3v
529	SiF3	Silicon trifluoride radical	2A1	C3v
530	SiCl3	trichlorosilyl radical	2A1	C3v
531	SiCl3+	trichlorosilyl cation	1A1'	D3h
532	ClO2F	Chloryl fluoride	1A'	Cs
533	F2SO	Thionyl Fluoride	1A'	Cs
534	FSSF	Difluorodisulfane	1A	C2
535	S2F2	Thio-thionyl fluoride	1A'	Cs
536	SOCl2	thionyl chloride	1A'	Cs
537	SSCl2	Thiothionyl chloride
538	NF3	Nitrogen trifluoride	1A1	C3v
539	PF3	Phosphorus trifluoride	1A1	C3v
540	NCl3	nitrogen trichloride	1A1	C3v
541	PCl3	Phosphorus trichloride	1A1	C3v
542	ClSSCl	Disulfur dichloride	1A	C2
543	SF3	Sulfur trifluoride	2A'	Cs
544	ClF3	Chlorine trifluoride	1A1'	D3h
545	ClF3	Chlorine trifluoride	1A1	C2v
546	HClO3	Chloric Acid	1A	C1
547	CHF3	Methane, trifluoro-	1A1	C3v
548	CHF2Cl	difluorochloromethane	1A'	Cs
549	CHFCl2	fluorodichloromethane	1A'	Cs
550	CHCl3	Chloroform	1A1	C3v
551	SiHCl3	Trichlorosilane	1A1	C3v
552	C2H2F2	Ethene, 1,2-difluoro-, (E)-	1Ag	C2h
553	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	1A1	C2v
554	CH2CF2	Ethene, 1,1-difluoro-	1A1	C2v
555	CH2CCl2	Ethene, 1,1-dichloro-	1A1	C2v
556	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	1Ag	C2h
557	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	1A1	C2v
558	CH3COF	Acetyl fluoride	1A'	NULL
559	CH3COCl	Acetyl Chloride	1A'	Cs
560	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
561	C5H5-	cylopentadienyl anion	1A1'	D5h
562	C5H6	1,3-Cyclopentadiene	1A1	C2v
563	C5H6	1-Buten-3-yne, 2-methyl-	1A'	Cs
564	C5H6	3-Penten-1-yne, (E)-	1A'	Cs
565	C5H6	3-Penten-1-yne, (Z)-	1A'	Cs
566	C5H6	Bicyclo[2.1.0]pent-2-ene	1A'	Cs
567	C5H6	Cyclopropylacetylene	1A'	C1
568	C5H8	1,2-Butadiene, 3-methyl-	1A1	C2v
569	C5H8	1,2-Pentadiene	1A'	C1
570	C5H8	1,3-Butadiene, 2-methyl-	1A'	Cs
571	C5H8	1,3-Pentadiene, (E)-	1A'	C1
572	C5H8	1,3-Pentadiene, (Z)-	1A'	Cs
573	C5H8	1,4-Pentadiene	1A	C2
574	C5H8	2,3-Pentadiene	1A	C1
575	C5H8	Cyclobutane, methylene-	1A'	Cs
576	C5H8	Cyclopentene	1A'	Cs
577	C5H10	1-Butene, 2-methyl-	1A	C1
578	C5H10	2-Butene, 2-methyl-	1A'	Cs
579	C5H10	2-Pentene, (E)-	1A'	Cs
580	C5H10	2-Pentene, (Z)-	1A	C1
581	C5H10	Cyclopentane	1A	C1
582	C5H10	Cyclopropane, 1,1-dimethyl-	1A1	C1
583	CH2CHCH2CH2CH3	1-pentene	1A	C1
584	C5H11	2-Methylbut-2-yl radical	1A	C1
585	C5H12	Butane, 2-methyl-	1A	C1
586	C5H12	Pentane	1A1	C2v
587	C5H12	Propane, 2,2-dimethyl-	1A1	Td
588	Si(CH3)4	tetramethylsilane	1A1	Td
589	N2O3	Dinitrogen trioxide	1A'	Cs
590	C3H2N2	Malononitrile	1A1	Cs
591	C3H4N2	1H-Imidazole	1A'	Cs
592	C3H4N2	1H-Pyrazole	1A'	Cs
593	C4H5N	(E)-2-Butenenitrile	1A'	Cs
594	C4H5N	(Z)-2-Butenenitrile	1A'	Cs
595	C4H5N	Cyclopropanecarbonitrile	1A'	Cs
596	C4H5N	Pyrrole	1A1	C2v
597	C3H6N2	3-Aminopropionitrile	1A'	Cs
598	C5H8	Bicyclo[2.1.0]pentane	1A'	Cs
599	C5H8	Spiropentane	1A1	D2d
600	C4H9N	Cyclobutylamine	1A'	Cs
601	C4H9N	Pyrrolidine	1A'	Cs
602	C3H10N2	1,2-Diaminopropane	1A	C1
603	C(CH3)3NH2	2-Propanamine, 2-methyl-	1A	C1
604	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	1A	C1
605	C(NH2)H2CH2CH2CH3	1-Butanamine	1A'	Cs
606	CH3C(NH2)HCH2CH3	2-Butanamine	1A	C1
607	C3O2	Carbon suboxide	1ΣG	D∞h
608	PO4---	phosphate	1A1	Td
609	SO4--	sulfate	1A1	Td
610	H2SO4	Sulfuric acid	1A	C1
611	C3H3NO	Isoxazole	1A'	Cs
612	CH3NO3	Methyl nitrate	1A'	Cs
613	C4H4O	Furan	1A1	C2
614	C4H4S	Thiophene	1A1	C2v
615	C3H4O2	β–Propiolactone	1A'	Cs
616	C3H4O2	2-Propenoic acid	1A'	Cs
617	C3H4O2	propanedial	1A	C1
618	C3H4O2	propenalol	1A'	Cs
619	CH2CHCONH2	Acrylamide	1A	Cs
620	CH3OCH2CN	Methoxyacetonitrile	1A	C1
621	H2NCH2COOH	Glycine	1A'	Cs
622	C4H6O	cis-2-butenal	1A	Cs
623	C4H6O	Cyclobutanone	1A1	C2v
624	C4H6O	Furan, 2,3-dihydro-	1A	C1
625	C4H6O	Furan, 2,5-dihydro-	1A1	Cs
626	CH2CHOCHCH2	Vinyl ether	1A1	C2v
627	CHOCHCHCH3	2-Butenal	1A'	Cs
628	C2H6N2O	Urea, methyl-	1A	C1
629	C3H6O2	1,3-Dioxolane	1A	C1
630	CH3COOCH3	methyl acetate	1A'	Cs
631	C2H6O2S	Dimethyl sulfone	1A1	C2v
632	C3H7NO	Propanamide	1A'	C1
633	C2H3OC2H5	Ethene, ethoxy-	1A	C1
634	C4H8O	Cyclobutanol	1A'	C1
635	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	1A	C1
636	CH3COCH2CH3	2-Butanone	1A	C1
637	CHOCH(CH3)CH3	Propanal, 2-methyl-	1A'	Cs
638	CHOCH2CH2CH3	Butanal	1A'	Cs
639	C3H8O2	1,3-Propanediol	1A1	C1
640	C3H8O2	Hydroperoxide, 1-methylethyl	1A	C1
641	C3H8O2	Methane, dimethoxy-	1A	C2
642	C3H8O2	Propylene glycol	1A	C1
643	C4H10O	1-Propanol, 2-methyl-	1A	C1
644	C4H10O	2-Butanol, (.+/-.)-	1A	C1
645	C4H10O	Ethanol, 1,1-dimethyl-	1A	C1
646	C4H10O	Ethoxy ethane	1A1	C2v
647	C4H10O	Propane, 2-methoxy-	1A'	Cs
648	FNO3	Fluorine nitrate	1A'	Cs
649	ClO4-	perchlorate anion	1A1	Td
650	BF4-	tetrafluoroboron anion	1A1	Td
651	ClFO3	Perchloryl fluoride	1A1	Cs
652	SO2Cl2	Sulfuryl chloride	1A1	C2v
653	F3NO	Nitrogen trifluoride oxide	1A1	C3v
654	F3PO	Phosphoryl fluoride	1A1	C3v
655	Cl3PO	Phosphoryl chloride	1A1	C3v
656	CF4	Carbon tetrafluoride	1A1	Td
657	CF3Cl	Methane, chlorotrifluoro-	1A1	C3v
658	SiF4	Silicon tetrafluoride	1A1	Td
659	CF2Cl2	difluorodichloromethane	1A1	C2v
660	CFCl3	Trichloromonofluoromethane	1A1	C3v
661	CCl4	Carbon tetrachloride	1A1	Td
662	SiCl4	Silane, tetrachloro-	1A1	Td
663	SF4	Sulfur tetrafluoride	1A1	C2v
664	C2HF3	Trifluoroethylene	1A'	Cs
665	CHClCCl2	Trichloroethylene	1A'	Cs
666	HClO4	perchloric acid	1A	Cs
667	CH3CF3	Ethane, 1,1,1-trifluoro-	1A1	C3v
668	CH2ClCHCl2	1,1,2-trichloroethane	1A	C1
669	CH3CCl3	Ethane, 1,1,1-trichloro-	1A1	C3v
670	SiH3CCl3	(trichloromethyl)silane	1A1	C3v
671	C6H4	(E)-Hexa-1,5-diyne-3-ene	1Ag	Cs
672	C6H4	(Z)-Hexa-1,5-diyne-3-ene	1A1	C2v
673	C6H5	phenyl	2A1	C2v
674	C6H6	2,4-Hexadiyne	1A1'	D3h
675	C6H6	Benzene	1A1g	D6h
676	C6H8	(E)-hexa-1,3,5-triene	1Ag	Cs
677	C6H8	(E)-hexa-2,3,4-triene	1A'	C2h
678	C6H8	(Z)-hexa-1,3,5-triene	1A1	C2v
679	C6H8	1,4-Cyclohexadiene	1Ag	C2v
680	C6H8	3-Methylenecyclopentene	1A	C1
681	C6H8	Bicyclo[2.1.1]hex-2-ene	1A1	C2v
682	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	1Ag	D2h
683	C6H8	Bicyclo[3.1.0]hex-2-ene	1A	C1
684	C6H10	1,3-Hexadiene, (E)-	1A'	Cs
685	C6H10	1,3-Hexadiene, (Z)-	1A'	Cs
686	C6H10	1,4-Hexadiene, (E)-	1A	C1
687	C6H10	1,4-Hexadiene, (Z)-	1A	C1
688	C6H10	1-Butyne, 3,3-dimethyl-	1A1	C3v
689	C6H10	1-Hexyne	1A'	Cs
690	C6H10	2,4-Hexadiene, (E,E)-	1Ag	C2h
691	C6H10	2,4-Hexadiene, (E,Z)-	1A'	Cs
692	C6H10	2,4-Hexadiene, (Z,Z)-	1A'	Cs
693	C6H10	2-Hexyne	1A'	C1
694	C6H10	cyclohexene	1A	C2
695	C6H10	Cyclopentene, 1-methyl-	1A	C1
696	C6H10	Cyclopentene, 3-methyl-	1A	C1
697	C6H10	Cyclopentene, 4-methyl-	1A	C1
698	C6H12	(E)-3-methylpent-2-ene	1A	C1
699	C6H12	(Z)-3-methylpent-2-ene	1A	C1
700	C6H12	3-methylenepentane	1A	C1
701	C6H12	Cyclohexane	1A1g	Chair
702	C6H12	Cyclopentane, methyl-	1A	C1
703	C6H12	Ethylcyclobutane	1A	C1
704	C6H12	hex-1-ene	1A'	Cs
705	C6H14	Butane, 2,2-dimethyl-	1A'	C1
706	C6H14	Butane, 2,3-dimethyl-	1Ag	C2h
707	C6H14	Hexane	1Ag	C2h
708	C6H14	Pentane, 2-methyl-	1A	C1
709	C6H14	Pentane, 3-methyl-	1A'	Cs
710	C4N2	2-Butynedinitrile	1Σg	D∞h
711	C3H3N3	1,3,5-Triazine	1A1'	D3h
712	CH3N5	5-Aminotetrazole	1A	C1
713	C4H4N2	1,3-Diazine	1A1	C2v
714	C4H4N2	Pyrazine	1Ag	D2h
715	C4H4N2	Pyridazine	1A1	C2v
716	C4H4N2	Succinonitrile	1Ag	C2h
717	C2H4N4	1H-Tetrazole, 1-methyl-	1A'	Cs
718	C2H4N4	1H-Tetrazole, 5-methyl-	1A'	C1
719	C2H4N4	2H-Tetrazole, 2-methyl-	1A	C1
720	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	1A'	Cs
721	C5H5N	Pyridine	1A1	C2v
722	C6H6	Fulvene	1A1	C2v
723	C4H6N2	1H-Imidazole, 2-methyl-	1A'	Cs
724	C5H7N	(E)-2-Pentenenitrile	1A'	Cs
725	C5H7N	(E)-3-Pentenenitrile	1A	C1
726	C5H7N	(Z)-2-Pentenenitrile	1A	C1
727	C5H7N	1H-Pyrrole, 1-methyl-	1A	C1
728	C5H7N	Cyclobutanecarbonitrile	1A'	Cs
729	C5H9N	1,2,3,6-Tetrahydropyridine	1A	C1
730	C5H9N	Butanenitrile, 2-methyl-	1A	C1
731	C5H9N	Pentanenitrile	1A'	Cs
732	C5H9N	Propanenitrile, 2,2-dimethyl-	1A1	C1
733	C5H11N	Cyclopentanamine	1A'	Cs
734	C5H11N	Piperidine	1A'	NH equatorial
735	C5H11N	Piperidine	1A'	NH axial
736	C4H12N2	1,2-Butanediamine	1A	C1
737	C4H12N2	2-Methyl-1,2-propanediamine	1A'	C1
738	N2O4	Dinitrogen tetroxide	1Ag	D2d
739	C2H3NO3	Oxamic acid	1A'	H out
740	C4H4O2	2-Oxetanone, 4-methylene-	1A	C1
741	C2H4N2O2	Oxalamide	1Ag	C2h
742	C4H5NO	3-Methylisoxazole	1A	C1
743	C4H5NO	Isoxazole, 5-methyl-	1A	C1
744	C4H6O2	2-Propenoic acid, methyl ester	1A	C1
745	C2H6N2O2	(E)-Azodioxymethane	1Ag	C2h
746	C2H6N2O2	Dimethylnitroamine	1A	C1
747	C3H6O3	1,3,5-Trioxane	1A1	C1
748	C4H7NO	2-Pyrrolidinone	1A	C1
749	C4H7NO	Methacrylamide	1A	C1
750	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	1A'	C1
751	CH3CH(CH3)ONO	Isopropyl nitrite	1A	C1
752	CH3CH(NH2)COOH	Alanine	1A	C1
753	CH3NHCH2COOH	Sarcosine	1A	C1
754	NH2CH2CH2COOH	β–alanine	1A	C1
755	NH2COOC2H5	Urethane	1A	C1
756	C5H8O	2H-Pyran, 3,4-dihydro-	1A	C1
757	C5H8O	Furan, 2,3-dihydro-5-methyl-	1A	C1
758	N(CH3)2CONH2	Urea, N,N-dimethyl-	1A	C1
759	NH2CONHC2H5	Urea, ethyl-	1A	C1
760	C4H8O2	1,3-Dioxolane, 2-methyl-	1A	C1
761	C4H8O2	1,4-Dioxane	1Ag	C2h
762	C4H8O2	Ethene, 1,1-dimethoxy-	1A1	C2v
763	C3H8O3	1,2,3-Propanetriol	1A	C1
764	C4H9NO	Butanamide	1A	C1
765	C4H9NO	Propanamide, 2-methyl-	1A	C1
766	C5H10O	2H-Pyran, tetrahydro-	1A'	C1
767	C5H10O	2-Pentanone	1A	C1
768	C5H10O	3-Pentanone	1A1	C2v
769	C5H10O	Cyclopentanol	1A	C1
770	C5H10O	Oxetane, 3,3-dimethyl-	1A'	Cs
771	C5H10O	Pentanal	1A'	C1
772	C4H10O2	1,1-Dimethoxyethane	1A'	Cs
773	C4H10O2	1,3-Butanediol	1A	C1
774	C4H10O2	1,4-Butanediol	1Ag	C2h
775	C4H10O2	Ethane, 1,2-dimethoxy-	1Ag	C2h
776	C4H11NO	Diethylhydroxylamine	1A'	Cs
777	C5H12O	1-Butanol, 2-methyl-	1A	C1
778	C5H12O	1-Butanol, 3-methyl-	1A'	Cs
779	C5H12O	1-Pentanol	1A'	Cs
780	C5H12O	2-Butanol, 3-methyl-	1A	C1
781	C5H12O	2-Pentanol	1A	C1
782	C5H12O	3-Pentanol	1A	C1
783	C5H12O	Butane, 1-methoxy-	1A'	Cs
784	C5H12O	Propane, 1-ethoxy-	1A'	Cs
785	C5H12O	Propane, 2-methoxy-2-methyl-	1A'	C1
786	CF3CN	Acetonitrile, trifluoro-	1A1	C3v
787	B2F4	Diboron tetrafluoride	1A1	D2d
788	B2Cl4	Diboron tetrachloride	1A1	D2
789	C2F4	Tetrafluoroethylene	1Ag	D2h
790	C2Cl4	Tetrachloroethylene	1Ag	D2h
791	CF3OF	Trifluoromethylhypofluorite	1A'	Cs
792	SiF5-	silicon pentafluoride anion
793	SOF4	Sulfur tetrafluoride oxide	1A1	C2v
794	PF5	Phosphorus pentafluoride	1A1'	D3h
795	PCl5	Phosphorus pentachloride	1A1'	C4v
796	ClF5	chlorinepentafluoride	1A1	C4v
797	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
798	C6H5CH2	benzyl radical	2B1	Cs
799	C6H5CH3	toluene	1A'	Cs
800	C7H12	Norbornane	1A1	C2v
801	C7H16	2-methylhexane	1A	C1
802	C7H16	heptane	1A1	C2v
803	N2O5	Dinitrogen pentoxide		C2
804	C6H5OH	phenol	1A'	Cs
805	C6H10O	cyclohexanone	1A'	Cs
806	PF6-	Hexafluorophosphate ion	1A1G	Oh
807	SF6	Sulfur Hexafluoride	1A1G	Oh
808	SF5Cl	sulfur chloropentafluoride	1A1	C4v
809	C6H5F	Fluorobenzene	1A1	C2v
810	C6H5CCH	phenylacetylene	1A1	C2v
811	C6H5CHCH2	Styrene	1A'	Cs
812	C8H8	cubane	1A1G	Oh
813	C8H8	cyclooctatetraene	1A1	D2d
814	C6H5CN	phenyl cyanide	1A1	C2v
815	S8	Octasulfur	1A1	D4d
816	C6H5CHO	benzaldehyde	1A'	Cs
817	C6H5OCH3	Anisole	1A'	Cs
818	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	1AG	D2h
819	C2F6	hexafluoroethane	1A1g	D3d
820	C6H5NO2	Nitrobenzene	1A1	C2v
821	C6H5COOH	benzoic acid	1A'	Cs
822	C10H8	naphthalene	1Ag	D2h
823	C10H16	adamantane	1A1	Td
824	C12H10	biphenyl	1A	D2

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	na
11	Na-	Sodium atom anion	na-
12	K	Potassium atom	k
13	K-	Potassium atom anion	k-
14	K+	Potassium atom cation	k+
15	Cu	Copper atom	cu
16	Cu-	Copper atom anion	cu-
17	Cu+	Copper atom cation	cu+
18	KH	Potassium hydride	kh
19	KH+	Potassium hydrogen cation	kh+
20	CuH	Copper monohydride	cuh
21	Be-	Beryllium atom anion	be-
22	Be+	Beryllium atom cation	be+
23	Mg	Magnesium atom	mg
24	Mg-	Magnesium atom anion	mg-
25	Mg+	Magnesium atom cation	mg+
26	Ca	Calcium atom	ca
27	Ca-	Calcium atom anion	ca-
28	Ca+	Calcium atom cation	ca+
29	Zn	Zinc atom	zn
30	Zn-	Zinc atom anion	zn-
31	Zn+	Zinc atom cation	zn+
32	CaH	Calcium monohydride	cah
33	CaH+	Calcium monohydride cation	cah+
34	TiH	Titanium monohydride	tih
35	ZnH	Zinc monohydride	znh
36	ZnH+	Zinc, protonated	znh+
37	BeH2+	Beryllium dihydride cation	beh2+
38	MgH2	magnesium dihydride	mgh2
39	CaH2	Calcium Hydride	cah2
40	ZnH2	Zinc hydride	znh2
41	B-	Boron atom anion	b-
42	B+	Boron atom cation	b+
43	Al	Aluminum atom	al
44	Al-	Aluminum atom anion	al-
45	Al+	Aluminum atom cation	al+
46	Sc	Scandium atom	sc
47	Sc+	Scandium cation	sc+
48	Ga	Gallium atom	ga
49	Ga-	Gallium atom anion	ga-
50	Ga+	Gallium atom cation	ga+
51	AlH-	aluminum monohydride anion	alh-
52	AlH+	aluminum monohydride cation	alh+
53	ScH	Scandium monohydride	sch
54	ScH+	Scandium monohydride cation	sch+
55	GaH	Gallium monohydride	gah
56	GaH+	Gallium monohydride cation	gah+
57	BH2-	boron dihydride anion	bh2-
58	BH2+	Boron dihydride cation	bh2+
59	AlH2-	aluminum dihydride anion	alh2-
60	AlH2+	aluminum dihydride cation	alh2+
61	BH3-	boron trihydride anion	bh3-
62	BH3+	boron trihydride cation	bh3+
63	AlH3-	aluminum trihydride anion	alh3-
64	AlH3+	aluminum trihydride cation	alh3+
65	ScH3	Scandium trihydride	sch3
66	GaH3	Gallium trihydride	gah3
67	BH4	borohydride	bh4
68	C-	Carbon atom anion	c-
69	C+	Carbon atom cation	c+
70	Si-	Silicon atom anion	si-
71	Si+	Silicon atom cation	si+
72	Ti	Titanium atom	ti
73	Ti-	Titanium atom anion	ti-
74	Ti+	Titanium atom cation	ti+
75	Ge	Germanium atom	ge
76	Ge-	Germanium anion	ge-
77	Ge+	Germanium cation	ge+
78	Sn	Tin atom	sn
79	Sn+	Tin cation	sn+
80	SiH-	silicon monohydride anion	sih-
81	SiH+	silicon monohydride cation	sih+
82	GeH	germylidene	geh
83	GeH+	Germaniun monohyrdide cation	geh+
84	SiH2-	silicon dihydride anion	sih2-
85	SiH2+	silicon dihydride cation	sih2+
86	GeH2	germylene	geh2
87	GeH2-	germylene anion	geh2-
88	SiH3-	Silyl anion	sih3-
89	GeH3	Germyl radical	geh3
90	GeH3+	germyl cation	geh3+
91	CD4	methane-d4	cd4
92	CH2D2	methane-d2	ch2d2
93	CH3D	methane-d	ch3d
94	CH4-	Methane anion	ch4-
95	CH4+	Methane cation	ch4+
96	CHD3	methane-d3	chd3
97	SiH2D2	silane-d2	sih2d2
98	SiH4+	Silane cation	sih4+
99	GeH4	Germane	geh4
100	SnH4	Stannane	snh4
101	SiH5+	Silane, protonated	sih5+
102	N	Nitrogen atom	n
103	N-	Nitrogen atom anion	n-
104	N+	Nitrogen atom cation	n+
105	P-	Phosphorus atom anion	p-
106	P+	Phosphorus atom cation	p+
107	V	Vanadium atom	v
108	V+	Vanadium atom cation	v+
109	As	Arsenic atomic	as
110	As-	Arsenic anion	as-
111	As+	Arsenic cation	as+
112	Sb	Antimony atom	sb
113	PH-	phosphorus monohydride anion	ph-
114	PH+	phosphorus monohydride cation	ph+
115	AsH	Arsenic monohydride	ash
116	AsH+	Arsenic monohydride cation	ash+
117	SbH	Antimony monohydride	sbh
118	NH2+	Amino cation	nh2+
119	PH2-	Phosphino anion	ph2-
120	PH2+	Phosphino cation	ph2+
121	AsH2	Arsenic dihydride	ash2
122	AsH2+	Arsenic dihydride cation	ash2+
123	NH3-	Ammonia anion	nh3-
124	PH3+	Phosphine cation	ph3+
125	AsH3	Arsine	ash3
126	AsH3+	Arsine cation	ash3+
127	SbH3	Stibine	sbh3
128	AsH4+	Arsonium	ash4+
129	NH4	Ammonium radical	nh4
130	PH4	Phosphoranyl radical	ph4
131	O-	Oxygen atom anion	o-
132	O+	Oxygen atom cation	o+
133	S-	Sulfur atom anion	s-
134	S+	Sulfur atom cation	s+
135	Cr	Chromium atom	cr
136	Se	Selenium atom	se
137	Se-	Selenium atom anion	se-
138	Se+	Selenium atom cation	se+
139	Te	Tellurium atom	te
140	Te+	Tellurium atom cation	te+
141	CrH	Chromium hydride	crh
142	CrH+	Chromium hydride cation	crh+
143	HSe	Selenium monohydride	hse
144	HSe-	selenium monohydride anion	hse-
145	HSe+	selenium monohydride cation	hse+
146	TeH	Telluryl radical	teh
147	H2S-	Hydrogen sulfide anion	h2s-
148	H2Se	Hydrogen selenide	h2se
149	H2Se+	Hydrogen selenide cation	h2se+
150	H2Te	Hydrogen Telluride	h2te
151	H3Se+	Hydrogen Selenide, protonated	h3se+
152	F-	Fluorine atom anion	f-
153	F+	Fluorine atom cation	f+
154	Cl-	Chlorine atom anion	cl-
155	Cl+	Chlorine atom cation	cl+
156	Mn	Manganese atom	mn
157	Br	Bromine atom	br
158	Br-	Bromine atom anion	br-
159	Br+	Bromine atom cation	br+
160	I	Iodine atom	iodine
161	I-	Iodine atom anion	iodine-
162	I+	Iodine atom cation	iodine+
163	DCl	Hydrochloric acid-d	dcl
164	HBr	hydrogen bromide	hbr
165	HBr-	hydrogen bromide anion	hbr-
166	HBr+	hydrogen bromide cation	hbr+
167	HI	Hydrogen iodide	hi
168	HI+	Hydrogen iodide cation	hi+
169	H2Br+	protonated hydrogen bromide	h2br+
170	H2I+	Iodonium	h2i+
171	Ne-	Neon atom anion	ne-
172	Ne+	Neon atom cation	ne+
173	Ar	Argon atom	ar
174	Ar-	Argon atom anion	ar-
175	Ar+	Argon atom cation	ar+
176	Fe	Iron atom	fe
177	Kr	Krypton atom	kr
178	Kr+	Krypton cation	kr+
179	Xe	Xenon atom	xe
180	HeLi+	Helium Lithium cation	heli+
181	NeH	neon hydrogen	neh
182	ArH+	Argon hydride cation	arh+
183	KrH+	Protonated Krypton	krh+
184	XeH+	Xenon, protonated	xeh+
185	H2Ar	H2 Ar dimer	h2ar
186	Co	Cobalt atom	cobalt
187	Ni	Nickel atom	ni
188	LiK	Lithium Potassium	lik
189	NaK	Sodium Potassium	nak
190	NaK+	Sodium Potassium diatomic cation	nak+
191	K2	Potassium diatomic	k2
192	Cu2	Copper diatomic	cu2
193	LiBe	Lithium Beryllium	libe
194	LiMg	Lithium magnesium	limg
195	NaBe	Sodium Beryllium	nabe
196	NaMg	Sodium Magnesium	namg
197	Be2	Beryllium diatomic	be2
198	BeMg	Beryllium Magnesium	bemg
199	Mg2	Magnesium diatomic	mg2
200	Ca2	Calcium diatomic	ca2
201	LiB	Lithium boride	lib
202	LiAl	Lithium Aluminum	lial
203	NaAl	Sodium aluminum	naal
204	BeB	Beryllium monoboride	beb
205	B2+	Boron diatomic cation	b2+
206	Al2	Aluminum diatomic	al2
207	Al2-	aluminum diatomic anion	al2-
208	Al2+	aluminum diatomic cation	al2+
209	BGa	Boron Gallium	bga
210	AlGa	Aluminum Gallium	alga
211	Ga2	Gallium diatomic	ga2
212	HBBH	Diborane(2)	hbbh
213	LiBH4	Lithium borohydride	libh4
214	B2H4	Diborane(4) D2d	b2h4
215	HBHHBH	Diborane(4) C2V	hbhhbh
216	B2H6+	Diborane cation	b2h6
217	Al2H6	dialane	al2h6
218	Ga2H6	digallane	ga2h6
219	LiC	Lithium Carbide	lic
220	BeC	Beryllium Carbide	bec
221	CaC	Calcium monocarbide	cac
222	BC	boron monocarbide	bc
223	BSi	Boron silicide	bsi
224	C2+	carbon diatomic cation	c2+
225	SiC-	silicon monocarbide anion	sic-
226	SiC+	silicon monocarbide cation	sic+
227	Si2-	silcon diatomic anion	si2-
228	Si2+	silcon diatomic cation	si2+
229	GeC	Germanium monocarbide	gec
230	SiGe	Silicon Germanium	sige
231	Ge2	Germanium diatomic	ge2
232	C2H-	Ethynyl anion	c2h-
233	C2H+	Ethynyl cation	c2h+
234	ZnCH2	Zinc methylene	znch2
235	H2CC-	vinylidene anion	h2cc-
236	HCCH-	acetylene anion	c2h2-
237	Si2H2	disilyne	si2h2
238	CH3Li	methyl lithium	ch3li
239	CuCH3	monomethyl copper	cuch3
240	ZnCH3	Zinc monomethyl	znch3
241	CH2BH	methyleneborane	ch2bh
242	C2H3-	vinyl anion	c2h3-
243	C2H3+	vinyl cation	c2h3+
244	C2H4-	Ethylene anion	c2h4-
245	C2H4+	Ethylene cation	c2h4+
246	CH3CH	methylmethylene	ch3ch
247	CH2SiH2	silaethylene	ch2sih2
248	Si2H4	Disilene	si2h4
249	CH3BH2	methylborane	ch3bh2
250	C2H5-	Ethyl anion	c2h5-
251	C2H5+	Ethyl cation	c2h5+
252	C2H6+	ethane cation	c2h6+
253	GeH3CH3	methyl germane	geh3ch3
254	C2H7+	Ethane, protonated	c2h7+
255	LiN	Lithium Nitride	lin
256	LiN+	Lithium Nitride cation	lin+
257	LiP	Lithium monophosphide	lip
258	BeN	Beryllium mononitride	ben
259	BeN+	Beryllium mononitride cation	ben+
260	MgN	Magnesium Nitride	mgn
261	AlN-	aluminum mononitride anion	aln-
262	AlN+	aluminum mononitride cation	aln+
263	BP	Boron monophosphide	bp
264	AlP	Aluminum monophosphide	alp
265	GaN	Gallium mononitride	gan
266	GaP	Gallium monophosphide	gap
267	GaAs	Gallium arsenide	gaas
268	CP-	carbon monophosphide anion	cp-
269	CP+	carbon monophosphide cation	cp+
270	SiN-	silicon mononitride anion	sin-
271	SiN+	silicon mononitride cation	sin+
272	SiP-	Silicon monophosphide anion	sip-
273	SiP+	Silicon monophosphide cation	sip+
274	TiN	Titanium mononitride	tin
275	PN-	phosphorus nitride anion	pn-
276	PN+	phosphorus nitride cation	pn+
277	P2-	phosphorus diatomic anion	p2-
278	P2+	phosphorus diatomic cation	p2+
279	AsN	Arsenic mononitride	asn
280	AsP	Arsenic monophosphide	asp
281	SbN	Antimony nitride	sbn
282	As2	Arsenic diatomic	as2
283	HNB	hydrogen nitrogen boron	hnb
284	HCN-	Hydrogen cyanide anion	hcn-
285	HNC+	hydrogen isocyanide cation	hnc+
286	HCP+	Phosphaethyne cation	hcp+
287	NNH+	Dinitrogen monohydride cation	nnh+
288	HPO+	Hydrogen phosphorus oxide cation	hpo+
289	LiNH2	lithium amide	linh2
290	HBNH	Boranimine	hbnh
291	CNH2	Aminomethylidyne radical	cnh2
292	CNH2+	N-protonated hydrogen isocyanide	cnh2+
293	H2CN	Dihydrogen cyanide radical	h2cn
294	H2CN+	hydrocyanonium cation	h2cn+
295	HCNH	methyleneazane	hcnh
296	HCNH+	N-protonated HCN	hcnh+
297	H2NN	Isodiazene	h2nn
298	N2H2	(Z)-Diazene	n2h2z
299	N2H2+	trans-diazene cation	n2h2+
300	CH2NH+	Methanimine cation	ch2nh+
301	CHNH2	aminomethylene	chnh2
302	CHNH2+	Aminocarbene cation	chnh2+
303	BH2NH2	Boranamine	bh2nh2
304	N2H4+	hydrazine cation	n2h4+
305	CH3NH2+	methyl amine cation	ch3nh2+
306	CH3PH2	Methyl phosphine	ch3ph2
307	SiH3NH2	Silane, amino	sih3nh2
308	N2H5+	protonated hydrazine	n2h5+
309	BH3NH3	borane ammonia	bh3nh3
310	CH3NH3	methyl ammonium radical	ch3nh3
311	CH3NH3+	protonated methylamine	ch3nh3+
312	CH3PH3+	methyl phosphine, protonated	ch3ph3+
313	NH3NH3	Ammonia Dimer	nh3nh3
314	N2H7+	ammonia ammonium dimer	n2h7+
315	LiS+	Lithium sulfide cation	lis+
316	NaO	sodium monoxide	nao
317	KO	Potassium monoxide	ko
318	KO+	Potassium monoxide cation	ko+
319	NaS	Sodium sulfide	nas
320	CuO	Copper Monoxide	cuo
321	LiSe	Lithium monoselenide	lise
322	CaO	Calcium monoxide	cao
323	MgS-	magnesium sulfide anion	mgs-
324	MgS+	magnesium sulfide cation	mgs+
325	ZnO	zinc monoxide	zno
326	ZnS	Zinc sulfide	zns
327	BeS-	Beryllium monosulfide anion	bes-
328	BeS+	Beryllium monosulfide cation	bes+
329	AlO-	Aluminum monoxide anion	alo-
330	AlO+	aluminum monoxide cation	alo+
331	BS-	boron monosulfide anion	bs-
332	BS+	boron monosulfide cation	bs+
333	AlS-	aluminum monosulfide anion	als-
334	AlS+	aluminum monosulfide cation	als+
335	ScO	Scandium monoxide	sco
336	GaO	Gallium monoxide	gao
337	GaS	Gallium monosulfide	gas
338	CS-	carbon monosulfide anion	cs-
339	CS+	carbon monosulfide cation	cs+
340	SiO-	silicon monoxide anion	sio-
341	SiO+	silicon monoxide cation	sio+
342	SiS-	silicon monosulfide anion	sis-
343	SiS+	silicon monosulfide cation	sis+
344	TiO	Titanium monoxide	tio
345	CSe	Carbon monoselenide	cse
346	CSe-	Carbon monoselenide anion	cse-
347	CSe+	Carbon monoselenide cation	cse+
348	GeO+	Germanium monoxide cation	geo+
349	GeS	Germanium monosulfide	ges
350	SiSe+	Silicon Monoselenide cation	sise+
351	GeSe	Germanium monoselenide	gese
352	NS-	nitrogen sulfide anion	ns-
353	NS+	nitrogen sulfide cation	ns+
354	PO-	phosphorus monoxide anion	po-
355	PO+	phosphorus monoxide cation	po+
356	PS-	phosphorus monosulfide anion	ps-
357	PS+	phosphorus monosulfide cation	ps+
358	VO	Vanadium monoxide	vo
359	AsO	Arsenic monoxide	aso
360	NSe	Nitrogen monoselenide	nse
361	AsS	Arsenic monosulfide	ass
362	PSe	Phosphorus monoselenide	pse
363	AsSe	Arsenic monoselenide	asse
364	O2--	dioxygen dianion	o2--
365	SO-	sulfur monoxide anion	so-
366	SO+	sulfur monoxide cation	so+
367	S2-	sulfur diatomic anion	s2-
368	SeO	Selenium monoxide	seo
369	SeO-	selenium monoxide anion	seo-
370	SeO+	selenium monoxide cation	seo+
371	SeS	Selenium monosulfide	ses
372	SeS-	selenium monosulfide anion	ses-
373	SeS+	selenium monosulfide cation	ses+
374	TeO	Tellurium monoxide	teo
375	Se2-	selenium diatomic anion	se2-
376	Se2+	selenium diatomic cation	se2+
377	Te2	Tellurium diatomic	te2
378	NaOH	sodium hydroxide	naoh
379	KOH	Potassium hydroxide	koh
380	MgOH	magnesium hydroxide	mgoh
381	CaOH	Calcium monohydroxide	caoh
382	COH	Hydroxymethylidyne	coh
383	COH+	Carbon Monoxide, protonated	coh+
384	HCO-	formyl anion	hco-
385	HCO+	Formyl cation	hco+
386	HCS-	Thioformyl anion	hcs-
387	HCS+	Thioformyl cation	hcs+
388	HNO-	Nitrosyl hydride anion	hno-
389	HNO+	Nitrosyl hydride cation	hno+
390	NOH	Hydroxyimidogen	noh
391	NOH+	O-protonated nitric oxide	noh+
392	HNS	Sulfur imide	hns
393	HNS-	Sulfur imide anion	hns-
394	HO2-	Hydroperoxy anion	ho2-
395	HO2+	Hydroperoxy cation	ho2+
396	HS2	Thiosulfeno radical	hs2
397	H2CO-	formaldehyde anion	h2co-
398	HOCH	hydroxycarbene	hoch
399	H2CS-	thioformaldehyde anion	h2cs-
400	H2CS+	thioformaldehyde cation	h2cs+
401	H2NO	nitroxide	h2no
402	H2O2+	Hydrogen peroxide cation	h2o2+
403	H2OO	water oxide	h2oo
404	HOSH	hydrogen thioperoxide	hosh
405	H2Se2	hydrogen diselenide	h2se2
406	CH3O-	methoxy anion	ch3o-
407	CH3O+	Methoxy cation	ch3o+
408	NH2OH+	Hydroxylamine cation	nh2oh+
409	NH3O	Ammonia Oxide	nh3o
410	NH2SH	Thiohydroxylamine	nh2sh
411	NH3S	sulfidoazane	nh3s
412	H3O2+	hydrogen peroxide, protonated	h3o2+
413	CH3OH-	Methyl alcohol anion	ch3oh-
414	CH3OH+	Methyl alcohol cation	ch3oh+
415	CH3SH+	Methanethiol cation	ch3sh+
416	SiH3OH	silanol	sih3oh
417	CH3SeH	Methane selenol	ch3seh
418	NH2OH2+	protonated hydroxylamine	nh2oh2+
419	NH3OH+	N-protonated hydroxylamine	nh3oh+
420	H2OH2O	water dimer	h2oh2o
421	CH3OH2+	Methanol, protonated	ch3oh2+
422	H2ONH3	Water Ammonia Dimer	h2onh3
423	H5O2+	Dihydroxonium ion	h5o2+
424	KF	Potassium Fluoride	kf
425	KCl	Potassium Chloride	kcl
426	CuF	Copper monofluoride	cuf
427	LiBr	Lithium Bromide	libr
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	CaF	Calcium monofluoride	caf
439	CaCl	calcium monochloride	cacl
440	TiCl	Titanium Monochloride	ticl
441	ZnF	Zinc monofluoride	znf
442	ZnF-	Zinc monofluoride anion	znf-
443	ZnF+	Zinc monofluoride cation	znf+
444	ZnCl	Zinc monochloride	zncl
445	CaBr	Calcium monobromide	cabr
446	AlF-	Aluminum monofluoride anion	alf-
447	AlF+	Aluminum monofluoride cation	alf+
448	ScF	Scandium monofluoride	scf
449	BBr	Boron monobromide	bbr
450	GaF	Gallium monofluoride	gaf
451	GaF+	Gallium monofluoride cation	gaf+
452	AlBr	Aluminum monobromide	albr
453	GaCl	Gallium monochloride	gacl
454	GaCl+	Gallium monochloride cation	gacl+
455	AlI	Aluminum monoiodide	ali
456	GaBr	Gallium monobromide	gabr
457	SiF-	silicon monofluoride anion	sif-
458	CBr	Carbon monobromide	cbr
459	GeF	Germanium monofluoride	gef
460	GeF+	Germanium monofluoride cation	gef+
461	GeCl	Germanium monochloride	gecl
462	GeCl+	Germanium monochloride cation	gecl+
463	SiBr	Silicon monobromide	sibr
464	SiBr+	Silicon monobromide cation	sibr+
465	PF-	phosphorus monofluoride anion	pf-
466	PF+	phosphorus monofluoride cation	pf+
467	AsF	Arsenic monofluoride	asf
468	NBr	nitrogen monobromide	nbr
469	AsCl	Arsenic monochloride	ascl
470	PBr	Phosphorus monobromide	pbr
471	SbF	Antimony monofluoride	sbf
472	SbCl	Antimony monochloride	sbcl
473	ClO-	chlorine monoxide anion	clo-
474	SF-	sulfur monofluoride anion	sf-
475	BrO	Bromine monoxide	bro
476	BrO-	Bromine monoxide anion	bro-
477	BrO+	Bromine monoxide cation	bro+
478	SeF	Selenium monofluoride	sef
479	SBr+	Sulfur monobromide cation	sbr+
480	SeCl	Selenium monochloride	secl
481	IO	Iodine monoxide	io
482	SeBr	Selenium monobromide	sebr
483	BrCl	Bromine monochloride	brcl
484	BrF	Bromine monofluoride	brf
485	BrF-	bromine fluoride anion	brf-
486	BrF+	bromine fluoride cation	brf+
487	BrCl-	bromine chloride anion	brcl-
488	BrCl+	bromine chloride cation	brcl+
489	IF	Iodine monofluoride	if
490	Br2	Bromine diatomic	br2
491	Br2-	bromine diatomic anion	br2-
492	Br2+	bromine diatomic cation	br2+
493	ICl	Iodine monochloride	icl
494	IBr	Iodine monobromide	ibr
495	I2	Iodine diatomic	i2
496	I2+	Iodine diatomic cation	i2+
497	HCCl	Chloromethylene	hccl
498	HSiF	fluorosilylene	hsif
499	HSiCl	Chlorosilylene	hsicl
500	HSiBr	monobromosilylene	hsibr
501	CHBr	bromomethylene	chbr
502	DOCl	Hypochlorous acid-d	docl
503	HOCl+	hypochlorous acid cation	hocl+
504	HOBr	Hypobromous acid	hobr
505	HOBr+	Hypobromous acid cation	hobr+
506	HOI	Hypoiodous acid	hoi
507	F2H+	Fluorine, protonated	f2h+
508	FHF	Hydrogen difluoride	fhf
509	FHF-	Hydrogen difluoride anion	fhf-
510	ClFH+	Chlorine fluoride, F-protonated	clfh+
511	FClH+	Chlorine fluoride, Cl-protonated	fclh+
512	Cl2H+	Chlorine, protonated	cl2h+
513	CH2Br	bromomethyl radical	ch2br
514	CH2F	fluoromethyl radical	ch2f
515	CH2F+	fluoromethyl cation	ch2f+
516	CH2Cl+	chloromethyl cation	ch2cl+
517	NH2F	monofluoroamine	nh2f
518	NH2Cl	chloramine	nh2cl
519	CH3F+	methyl fluoride cation	ch3f+
520	CD3F	methylfluoride-d3	cd3f
521	CD3Cl	methyl chloride d3	cd3cl
522	CH3Cl+	Methyl chloride cation	ch3cl+
523	CH3Br	methyl bromide	ch3br
524	GeH3F	monofluorogermane	geh3f
525	GeH3Cl	monochlorogermane	geh3cl
526	SiH3Br	bromosilane	sih3br
527	CH3I	methyl iodide	ch3i
528	SiH3I	Silyl Iodide	sih3i
529	NH3Cl+	protonated monochloroammonia	nh3cl+
530	CH3ClH+	methyl chloride, protonated	ch3clh+
531	NH4Cl	Ammonium chloride	nh4cl
532	LiNe+	Lithium Neon cation	line+
533	Ne2	Neon diatomic	ne2
534	Ne2+	Neon diatomic cation	ne2+
535	Ar2	Argon diatomic	ar2
536	Ar2+	Argon diatomic cation	ar2+
537	Li3	Lithium trimer	li3
538	Li3+	Lithium trimer cation	li3+
539	C3+	carbon trimer cation	c3+
540	SiC2	Silicon dicarbide	sic2
541	C3H3	cyclopropenyl radical	cpr
542	C3H3-	Propargyl anion	c3h3-
543	C3H3+	cyclopropenyl cation	cpr+
544	C3H3+	Propargyl cation	c3h3+
545	C3H4	cyclopropene	cprop
546	C3H5	Allyl radical	allyl
547	C3H5+	Allyl cation	allyl+
548	CH3CHCH	1-propenyl radical	ch3chch
549	Zn(CH3)2	dimethyl zinc	dmz
550	C3H7+	cyclopropane, protonated	c3h7+
551	CH3CHCH3	Isopropyl radical	isopropyl
552	CH3CHCH3+	Isopropyl cation	prop2yl+
553	LiCN	lithium cyanide	licn
554	NaCN	Sodium Cyanide	nacn
555	KCN	Potassium cyanide	kcn
556	CuCN	Copper cyanide	cucn
557	ZnCN	Zinc monocyanide	zncn
558	ZnNC	Zinc isocyanide	znnc
559	AlCN	Aluminum monocyanide	alcn
560	AlNC	Aluminum isocyanide	alnc
561	CN2	3H-Diazirin-3-ylidene	cn2
562	CNN	Diazocarbene	cnn
563	NCN	Cyanoimidogen	ncn
564	N3	azide radical	n3
565	N3-	azide anion	n3-
566	N3+	azide cation	n3+
567	HCCN	cyanomethylene	hccn
568	HCNN	diazomethyl radical	hcnn
569	HN3+	Hydrazoic acid cation	hn3+
570	HNCNH	diiminomethane	hncnh
571	CH2N2	diazirine	ch2n2
572	NH2CN	cyanamide	cyanamide
573	HNNNH+	1,2-Triazadienium	n2h3+
574	NH2NN+	hydrazoic acid, protonated	nh2nn+
575	CH3CN-	acetonitrile anion	ch3cn-
576	CH3CN+	Acetonitrile cation	ch3cn+
577	CHNCH2	2H-Azirine	c157164
578	CHNHCH	1H-Azirine	chnhch
579	H2CCNH	Ethenimine	ch2cnh
580	H2CNCH	methyleneaminomethylene	ch2nch
581	HCCNH2	Ethynamine	hccnh2
582	HCNCH2+	2H-Azirine cation	hcnch2+
583	HNCNH2+	diiminomethane, protonated	hncnh2+
584	NCNH3+	Cyanamide, protonated	ncnh3+
585	NH2CNH+	cyanamide, cn protonated	nh2cnh+
586	NH3CN+	cyanamide, amine protonated	nh3cn+
587	CH2CHNH	vinylazine	ch2chnh
588	CH3CHN	methylmethaniminyl radical	ch3chn
589	CH2CHNH2	aminoethene	aminoethene
590	CH2NCH3	N-methylmethanimine	nmm
591	CH3CHNH	ethanimine	ethanimine
592	NH2BHNH2	diaminoborane	nh2bhnh2
593	C2H5NH+	Protonated Aziridine	c2h5nh+
594	C2H6N+	aziridine, protonated	c2h6n+
595	NH2CH2NH2	diaminomethane	nh2ch2nh2
596	CH3PHCH3	dimethylphosphine	ch3phch3
597	NH2CH2NH3+	diaminoethane, protonated	pdam
598	(CH3)2NH2+	dimethylammonium cation	dmam
599	CH3CH2NH3+	ethylamine, protonated	pea
600	Li2O+	dilithium oxide cation	li2o+
601	Na2O	disodium monoxide	na2o
602	Na2S	Sodium sulfide	na2s
603	LiO2	Lithium dioxide	lio2
604	NaO2	Sodium superoxide	nao2
605	CCO	Dicarbon monoxide	cco
606	CNO-	fulminate	cno-
607	NCO	isocyanato radical	nco
608	NCO-	cyanate	nco-
609	BO2-	Boron dioxide anion	bo2-
610	BO2+	Boron dioxide cation	bo2+
611	N2O-	Nitrous oxide anion	n2o-
612	N2O+	Nitrous oxide cation	n2o+
613	PPO	Phosphorus oxide phosphide	ppo
614	CO2-	Carbon dioxide anion	co2-
615	CO2+	Carbon dioxide cation	co2+
616	OCS+	Carbonyl sulfide cation	cos+
617	CS2-	Carbon disulfide anion	cs2-
618	CS2+	Carbon disulfide cation	cs2+
619	TiO2	Titanium dioxide	tio2
620	GeO2	Germanium dioxide	geo2
621	OCSe	Carbonyl selenide	ocse
622	SCSe	Carbon sulfide selenide	scse
623	GeS2	Germanium disulfide	ges2
624	CSe2	Carbon diselenide	cse2
625	SCTe	Carbon sulfide Telluride	scte
626	NO2-	Nitrogen dioxide anion	no2-
627	NO2+	Nitrogen dioxide cation	no2+
628	PO2-	Phosphorus dioxide anion	po2-
629	PO2+	Phosphorus dioxide cation	po2+
630	AsO2	Aresenic dioxide	aso2
631	O3-	Ozone anion	o3-
632	O3+	Ozone cation	o3+
633	SO2-	Sulfur dioxide anion	so2-
634	SO2+	Sulfur dioxide cation	so2+
635	SeO2	Selenium dioxide	seo2
636	SeO2+	Selenium dioxide cation	seo2+
637	TeO2	Tellurium Dioxide	teo2
638	CS2H+	Carbon disulfide, protonated	cs2h+
639	HNCS	Isothiocyanic acid	hncs
640	HSCN	thiocyanic acid	hscn
641	HNNO	nitrosoazane	hnno
642	HNNO+	Nitrous oxide, N-protonated	hnno+
643	NNOH+	Nitrous Oxide, O-protonated	nnoh+
644	HCOO	formate neutral radical	hcoo
645	HOCO+	Hydrocarboxyl cation	hoco+
646	HNO2+	nitrous acid cation	hno2+
647	O3H+	protonated ozone	o3h+
648	SO2H+	protonated sulfur dioxide	so2h+
649	C2H2O	Oxirene	oxirene
650	CH2CO+	Ketene cation	ch2co+
651	Be(OH)2	Beryllium hydroxide	beo2h2
652	Mg(OH)2	Magnesium dihydroxide	h2mgo2
653	NH2NO	Nitrosamide	nh2no
654	H2COO	Dioxymethyl radical	h2coo
655	H2COO+	dioxymethyl cation	h2coo+
656	H2O3	Hydrogen trioxide	h2o3
657	NaOCH3	Sodium methoxide	naoch3
658	CH2BOH	hydroxy(methylene)borane	ch2boh
659	BH3CO	Borane carbonyl	bh3co
660	CH3BO	Borane, methyloxo-	ch3bo
661	CH2CHO	Vinyloxy radical	ch2cho
662	CH2COH+	ketene, protonated	ch2coh+
663	CH3CO-	Acetyl anion	ch3co-
664	CH3CO+	acetyl cation	ch3co+
665	CH2NOH	formaldoxime	ch2noh
666	CH3NO	nitrosomethane	ch3no
667	CNOH3	1,2-oxaziridine	cnoh3
668	HOCHNH	hydroxymethylimine	hochnh
669	CHSNH2	thioformamide	chsnh2
670	NHCHSH	Methanimidothioic acid	nhchsh
671	CH2OOH	CH2OOH radical	ch2ooh
672	CH3OO-	methylperoxy anion	ch3oo-
673	CH3OO+	methylperoxy cation	ch3oo+
674	C2H4O+	ethylene oxide cation	c2h4o+
675	CH3CHO+	acetaldehyde cation	ch3cho+
676	H2COCH2+	Methyl, (methyleneoxoniumyl)-	h2coch2+
677	CH2CHSH	Ethenethiol	ch2chsh
678	H2CONH2+	protonated formamide	h2conh2+
679	NH2CHOH+	Formamide, O-protonated	nh2choh+
680	NH3CHO+	Formamide, N-Protonated	nh3cho+
681	CH2(OH)2	methanediol	ch2o2h2
682	HSCH2SH	Methanedithiol	ch4s2
683	H2OH2CO	water formaldehyde dimer	h2oh2co
684	C2H4OH+	ethylene oxide, protonated	c2h4oh+
685	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
686	CH3CH2O	Ethoxy radical	ethoxy
687	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
688	CH3CHOH+	acetaldehyde, protonated	ch3choh+
689	CH3OCH2	methoxymethyl radical	ch3och2
690	NH2CH2OH	aminomethanol	nh2ch2oh
691	CH3SCH3+	dimethyl sulfide cation	mesme+
692	CH3SeCH3	dimethylselenide	dmse
693	CH3OHH2O	methanol water dimer	ch3ohh2o
694	H2OCH3OH	water methanol dimer	h2och3oh
695	CuF2	Copper difluoride	cuf2
696	ZnF2	Zinc difluoride	znf2
697	CNF	iso cyanogen fluoride	cnf
698	BrCN	Cyanogen bromide	brcn
699	ICN	Cyanogen iodide	icn
700	FBO	Boron monofluoride monoxide	fbo
701	BeF2	Beryllium fluoride	bef2
702	MgF2	Magnesium fluoride	mgf2
703	BeCl2	Beryllium chloride	becl2
704	CaCl2	Calcium Chloride	cacl2
705	ZnCl2	Zinc dichloride	zncl2
706	BeBr2	Beryllium bromide	bebr2
707	CaBr2	Calcium dibromide	cabr2
708	CaF2	Calcium difluoride	caf2
709	FCO	Carbonyl fluoride	fco
710	FCO+	Carbonyl fluoride cation	fco+
711	ClCO	carbonyl monochloride	clco
712	BF2	Boron difluoride radical	bf2
713	BrNO	Nitrosyl bromide	brno
714	INO	Nitrosyl iodide	ino
715	CF2-	Difluoromethylene anion	cf2-
716	CF2+	Difluoromethylene cation	cf2+
717	CFCl	chlorofluoromethylene	cfcl
718	SiF2	Silicon difluoride	sif2
719	SiF2+	Silicon difluoride cation	sif2+
720	CCl2-	dichloromethylene anion	ccl2-
721	CCl2+	dichloromethylene cation	ccl2+
722	GeF2	Germanium difluoride	gef2
723	CBr2	dibromomethylene	cbr2
724	FOO+	Fluorine dioxide cation	foo+
725	ClOO+	chloroperoxy cation	cloo+
726	OClO-	Chlorine dioxide anion	oclo-
727	OClO+	Chlorine dioxide cation	oclo+
728	BrOO	Bromine dioxide	broo
729	OBrO	Bromine dioxide radical	obro
730	NF2+	Difluoroamino cation	nf2+
731	PF2	Phosphorus difluoride	pf2
732	PF2+	Phosphorus difluoride cation	pf2+
733	SF2-	sulfur difluoride anion	sf2-
734	SF2+	sulfur difluoride cation	sf2+
735	SeF2	Selenium difluoride	sef2
736	BrOCl	Bromine hypochlorite	brocl
737	BrOBr	Bromine oxide	brobr
738	F3-	trifluoride anion	f3-
739	Cl3-	trichloride anion	cl3-
740	Br3-	tribromide anion	br3-
741	I3-	triiodide	i3-
742	SFCl	Sulfur chloride fluoride	sfcl
743	HCCF+	fluoroacetylene cation	hccf+
744	HCCCl	Chloroacetylene	hcccl
745	HCCBr	bromoacetylene	hccbr
746	HFCO+	formyl fluoride cation	hfco+
747	COHCl	Formyl chloride	cohcl
748	COHBr	Formyl bromide	cohbr
749	CHCl2	dichloromethyl radical	chcl2
750	CHF2	difluoromethyl radical	chf2
751	CHF2+	difluoromethyl cation	chf2+
752	CHFCl	Chlorofluoromethyl radical	chfcl
753	CHFCl+	Chlorofluoromethyl cation	chfcl+
754	CHCl2+	dichloromethyl cation	chcl2+
755	CHBr2	dibromomethyl radical	chbr2
756	HOClO	Chlorous acid	hoclo
757	NHF2	difluoramine	nhf2
758	NHCl2	dichloroamine	nhcl2
759	SiH2F2	difluorosilane	sih2f2
760	CH2BrF	Methane, bromofluoro-	ch2fbr
761	CH2BrCl	Methane, bromochloro-	ch2clbr
762	CH2FI	fluoroiodomethane	ch2fi
763	CH2Br2	dibromomethane	ch2br2
764	CH2ClI	chloroiodomethane	ch2cli
765	CH2BrI	bromoiodomethane	ch2bri
766	CH2I2	Diiodomethane	ch2i2
767	CH3MgBr	Methyl Magnesium Bromide	ch3mgbr
768	CH2CHF+	fluoroethene cation	ch2chf+
769	C2H3Br	vinyl bromide	c2h3br
770	C2H3I	Vinyl iodide	c2h3i
771	CH2FOH	fluoromethanol	ch2foh
772	CH3OCl	methyl hypochlorite	ch3ocl
773	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
774	CHClCH3	1-chloroethyl radical	chclch3
775	CH3CH2Cl	Ethyl chloride	c2h5cl
776	CH3SiFH2	fluoromethylsilane	ch3sifh2
777	C2H5Br	Ethyl bromide	etbr
778	C2H5I	Ethyl iodide	c2h5i
779	KrF2	Krypton difluoride	krf2
780	XeF2	Xenon difluoride	xef2
781	B4H10	Tetraborane(10)	b4h10
782	C4+	Carbon tetramer cation	c4+
783	C4H2+	diacetlyene cation	c4h2+
784	C4H4	cyclobutadiene	cbd
785	C4H4	Tetrahedrane	c4h4
786	CHCCH2CH3	1-Butyne	c107006
787	CH3CHCHCH2	methylallyl radical	c4h7
788	C4H8	methylcyclopropane	mcp
789	CH2CHCH2CH3	1-Butene	bute1
790	B(CH3)3	trimethylborane	bme3
791	Al(CH3)3	trimethyl aluminum	tma
792	Li3N	trilithium nitride	li3n
793	C2N2+	Cyanogen cation	c2n2+
794	As4	Arsenic tetramer	as4
795	HCCCN+	Cyanoacetylene cation	hcccn+
796	H2CNCN	cyanamide, methylene	ch2ncn
797	HNCCNH	Ethenediimine	hnccnh
798	C3H3N+	acrylonitrile cation	ch2chcn+
799	CH3N3	methyl azide	ch3n3
800	NH2CCNH2	Diaminoacetylene	daa
801	NH2CH2CN	Aminoacetonitrile	aan
802	CH3NHN2+	methyl azide, protonated	ch3nhn2+
803	C2H5CN	ethyl cyanide	c2h5cn
804	CH5N3	Guanidine	guanidine
805	C4H6	Bicyclo[1.1.0]butane	c157335
806	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
807	H2NCHCHNH2	diaminoethylene	dae
808	CH6N3+	guanidinium	ch6n3+
809	CH7N3	triaminomethane	tam
810	C3H7N	Azetidine	azet
811	CH3NHNHCH3	dimethyl hydrazine	dmh
812	NH2CH2CH2CH3	1-Propanamine	pram1
813	P(CH3)3	trimethylphosphine	tmp
814	N(SiH3)3	trisilylamine	tsa
815	As(CH3)3	trimethyl arsine	tmas
816	(CH3)3NH+	protonated trimethyl amine	ptma
817	C3H7NH3+	n-propylamine, protonated	c3h7nh2
818	Li2O2	dilithium dioxide	li2o2
819	Na2O2	disodium dioxide	na2o2
820	K2O2	dipotassium dioxide	k2o2
821	C3O	Tricarbon monoxide	c3o
822	ONNO	NO dimer	onno
823	CO3	Carbon trioxide	co3
824	NO3-	nitrate anion	no3-
825	NO3+	nitrogen trioxide cation	no3+
826	SO3-	Sulfur trioxide anion	so3-
827	SO3--	Sulfate dianion	so3--
828	SO3+	Sulfur trioxide cation	so3+
829	SeO3	selenium trioxide	seo3
830	TeO3	Tellurium trioxide	teo3
831	HCO3-	bicarbonate anion	hco3-
832	HSO3	Hydroxysulfonyl radical	hso3
833	NH2NO2	nitramide	nh2no2
834	C2H2CO	cyclopropenone	c2h2co
835	C3H2O	Propadienal	c3h2o
836	HCCCHO	2-propynal	hcccho
837	C2H2O2+	Ethanedial cation	c2h2o2+
838	H2CO3	Carbonic acid	h2co3
839	H2CS3	thiocarbonic acid	h2cs3
840	H2NO3+	Nitric Acid, Protonated	h2no3+
841	H2SO3	Sulfurous acid	h2so3
842	C2H3NO	Nitrosoethylene	c2h3no
843	CH3NCO	methylisocyante	ch3nco
844	HOCH2CN	cyanomethanol	hoch2cn
845	CH3NO2	Methane, nitro-	ch3no2
846	NH2COOH	Carbamic acid	nh2cooh
847	H3BO3	Boric acid	h3bo3
848	H3CO3+	carbonic acid, protonated	h3co3+
849	C3H4O	2-Propyn-1-ol	c107197
850	C3H4O	Methylketene	c6004440
851	NH2CONH2+	Urea cation	urea+
852	C2H4O2	1,3-dioxetane	c2h4o2
853	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
854	NH3COOH+	protonated Carbamic acid	nh3cooh+
855	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
856	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
857	HCOOHH2O	Formic acid water dimer	hcoohh2o
858	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
859	CH3COCH2	Acetonyl radical	ch3coch2
860	CH2C(OH)NH2	1-amino vinyl alchohol	ava
861	CH3C(OH)=NH	Ethaninidic acid	eia
862	HCONHCH3	N-methylformamide	nmfa
863	CH5N2O+	urea, N-protonated	ch4n2o+
864	H2NCOHNH2+	urea, protonated	ureah+
865	C2H5OO	ethylperoxy radical	c2h5oo
866	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
867	C3H5OH	Cyclopropanol	cproh
868	C3H6O	2-Propen-1-ol	c107186
869	C3H6O	Acetone enol	enol
870	C3H6O	Oxetane	oxetane
871	CH3COCH3-	acetone anion	ch3coch3-
872	C3H6S	Thiirane, methyl-	methiirane
873	CH3CSCH3	Thioacetone	ch3csch3
874	CH3OOCH3	dimethylperoxide	dmp
875	CH3SOCH3	Dimethyl sulfoxide	dmso
876	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
877	CH3COHCH3+	acetone, protonated	acetoneh+
878	HOCH2CH2NH2	monoethanolamine	mea
879	C3H7SH	1-Propanethiol	prsh
880	CH3CHSHCH3	2-Propanethiol	isoprsh
881	CH3SCH2CH3	Ethane, (methylthio)-	etsme
882	H2OCH3OCH3	water dimethylether dimer	h2och3och3
883	Li2F2	Lithium fluoride dimer	li2f2
884	Na2F2	Sodium Fluoride Dimer	na2f2
885	Na2Cl2	Disodium dichloride	na2cl2
886	C2Cl2+	dichloroacetylene cation	c2cl2+
887	FNO2	Nitryl fluoride	fno2
888	FONO	Nitrosyl hypofluorite	fono
889	ClONO	chlorine nitrite	clono
890	BrONO	Bromine nitrite	brono
891	CF2O+	Carbonic difluoride cation	f2co+
892	COFCl	Carbonic chloride fluoride	cofcl
893	COBr2	Carbonic dibromide	cobr2
894	BF3-	Borane, trifluoro- anion	bf3-
895	BF3+	boron trifluoride cation	bf3+
896	BClF2	Chlorodifluoroborane	bclf2
897	ScF3	Scandium trifluoride	ScF3
898	BCl3+	Boron Trichloride cation	bcl3+
899	GaF3	Gallium trifluoride	gaf3
900	GaCl3	Gallium trichloride	gacl3
901	BBr3	Boron tribromide	bbr3
902	AlBr3	Aluminum Bromide	albr3
903	ClO3	Chlorine trioxide	clo3
904	BrO3-	Bromate anion	bro3-
905	CF3-	Trifluoromethyl anion	cf3-
906	CF3+	Trifluoromethyl cation	cf3+
907	CF2Cl	difluorochloromethyl radical	cf2cl
908	SiF3+	Silicon trifluoride cation	sif3+
909	CFCl2	dichlorofluoromethyl radical	cfcl2
910	CCl3	Trichloromethyl radical	ccl3
911	CCl3-	Trichloromethyl anion	ccl3-
912	CCl3+	Trichloromethyl cation	ccl3+
913	CBr3	tribromomethyl radical	cbr3
914	FOOF	Perfluoroperoxide	foof
915	ClOOCl	Dichlorine dioxide	cloocl
916	SeOCl2	selenium oxychloride	seocl2
917	NF3-	Nitrogen trifluoride anion	nf3-
918	NF3+	Nitrogen trifluoride cation	nf3+
919	AsF3	Arsenic trifluoride	asf3
920	SbF3	Antimony Trifluoride	sbf3
921	AsCl3	Arsenous trichloride	ascl3
922	SbCl3	Antimony Trichloride	sbcl3
923	NBr3	Nitrogen Tribromide	nbr3
924	PBr3	Phosphorus tribromide	pbr3
925	AsBr3	Arsenic tribromide	asbr3
926	NI3	Nitrogen triiodide	ni3
927	PI3	Phosphorus triiodide	pi3
928	BrF3	Bromine trifluoride	brf3
929	IF3	iodone trifluoride	if3
930	SiHF3	trifluorosilane	sihf3
931	CDCl3	trichloromethane-d	cdcl3
932	CHBrF2	Methane, bromodifluoro-	chbrf2
933	CHFClBr	fluorochlorobromomethane	chfclbr
934	CHBrCl2	Methane, bromodichloro-	chbrcl2
935	CHF2I	difluoroiodomethane	chf2i
936	CHBr2F	dibromofluoromethane	chbr2f
937	CHFClI	fluorochloroiodomethane	chfcli
938	CHCl2I	dichloroiodomethane	chcl2i
939	CHClBr2	Methane, dibromochloro-	chclbr2
940	CHBr3	bromoform	chbr3
941	CHI3	Iodoform	chi3
942	NF3H+	protonated nitrogen trifluoride	nf3h+
943	AsF3H+	Arsenic trifluoride, protonated	asf3h+
944	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
945	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
946	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
947	C2H2Br2	1,1-dibromoethene	c2h2br2
948	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
949	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
950	CH2FCHO	Fluoroacetaldehyde	ch2fcho
951	CH2ClCHO	chloroacetaldehyde	ch2clcho
952	C2H4F2	1,2-difluoroethane	c2h4f2
953	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
954	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
955	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
956	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
957	CH2BrCH2Cl	1-bromo-2-chloroethane	ch2brch2cl
958	CH2BrCH2Br	Ethane, 1,2-dibromo-	ch2brch2br
959	CH2CFCH3	2-fluoropropene	2fpro
960	CH2CHCH2F	Allyl Fluoride	allylf
961	CH3CHCHF	trans-1-Fluoro-1-propene	propene1ft
962	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
963	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
964	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
965	CH2FCH2OH	2-fluoroethanol	ch2fch2oh
966	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
967	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
968	CH2FCH2CH3	1-Fluoropropane	prf1
969	CH3CHFCH3	2-Fluoropropane	prf2
970	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
971	CH3CHClCH3	Propane, 2-chloro-	prcl2
972	CH3CH2CH2Br	n-propyl bromide	prbr
973	CH3CHBrCH3	i-propyl bromide	iprbr
974	C3H9O+	trimethyl oxonium cation	c3h9o+
975	B5H9	pentaborane9	b5h9
976	C5H4	pentatetraene	ptrene
977	C5H5	cyclopentadienyl radical	c5h5
978	C5H6	Propellane	propellane
979	C5H7	1,3-pentadienyl radical	pdyl
980	C5H7	cyclopentenyl radical	cpyl
981	C5H8	1-pentyne	a1pentyne
982	C5H8	Bicyclo[1.1.1]pentane	bcp
983	C5H8	Ethenylcyclopropane	c693867
984	CH3CCCH2CH3	2-Pentyne	2pentyne
985	CH2N4	1H-Tetrazole	1htz
986	C3H3N2	imidazolyl radical	im
987	C3H3N2-	imidizolyl anion	im-
988	C2H3N3	1H-1,2,4-Triazole	c288880
989	C4H4N	pyrrolide radical	c4h4n
990	C4H4N-	pyrrolide anion	c4h4n-
991	C3H4N2	2H-Imidazole	imid2h
992	C3H4N2	4H-Imidazole	imid4h
993	C4H5N	2H-pyrrole	pyrrole2
994	C4H5N	3H-pyrrole	pyrrole3
995	CH2CHCH2CN	Allylcyanide	ch2chch2cn
996	C4H6N+	pyrrole, alpha-protonated	appyr
997	C4H6N+	pyrrole, beta-protonated	bppyr
998	C4H6N+	pyrrole, protonated	ppyr
999	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
1000	CH3CH2CH2CN	Butanenitrile	c109740
1001	NH(C2H5)2	diethylamine	dea
1002	NC4H12+	tetramethyl ammonium cation	nc4h12+
1003	C3O2+	Carbon suboxide cation	c3o2+
1004	B2O3	diboron trioxide	b2o3
1005	MgCO3	Magnesium Carbonate	mgco3
1006	BeCO3	Beryllium Carbonate	beco3
1007	CaCO3	Calcium Carbonate	caco3
1008	ONONO	Nitrosyl nitrite	onono
1009	HOONO2	peroxy nitric acid	hoono2
1010	HSO4-	bisulfate anion	hso4-
1011	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1012	C3H2O2	Propiolic acid	c3h2o2
1013	CHOCOOH	oxo acetic acid	oaa
1014	CHOOCHO	diformyl ether	choocho
1015	H2SeO4	Selenic acid	h2seo4
1016	C3H3NO	Oxazole	oxazole
1017	C3H3NS	Thiazole	thiazole
1018	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1019	H3PO4	Phosphoric Acid	h3po4
1020	C4H4O+	Furan cation	furan+
1021	CH3COCCH	3-butyn-2-one	c1423605
1022	C4H4Se	selenophene	c4h4se
1023	C3H4O2	Methyl glyoxal	megly
1024	HOCHCCHOH	allenediol	aldiol
1025	C2H4O3	1,2,3-trioxolane	c2h4o3
1026	C2H4O3	trioxolane124	triox
1027	HOCH2COOH	Hydroxyacetic acid	hac
1028	CH5N3S	Hydrazinecarbothioamide	c79196
1029	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1030	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1031	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1032	CH2CHSCHCH2	Divinyl sulfide	divis
1033	CH3CH2COOH	Propanoic Acid	propanoic
1034	HCOOC2H5	Ethyl formate	faee
1035	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1036	C3H7NO	dimethylformamide	dmf
1037	C4H8O	Furan, tetrahydro-	thf
1038	C4H8S	Thiophene, tetrahydro-	tht
1039	C3H8S2	1,3-Propanedithiol	c109808
1040	C4H10O	1-Butanol	butanol1
1041	C4H10O	Methyl propyl ether	meopr
1042	C4H10O+	1-Butanol cation	butanol1+
1043	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1044	C2H5SC2H5	Diethyl sulfide	etset
1045	C4H9SH	1-Butanethiol	bush
1046	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1047	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1048	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1049	ClONO2	Chlorine nitrate	clono2
1050	BrONO2	Bromine nitrate	brono2
1051	TiCl4	Titanium tetrachloride	ticl4
1052	SO2F2	Sulfuryl fluoride	so2f2
1053	TiF4	Titanium tetrafluoride	tif4
1054	CF3Br	Bromotrifluoromethane	cf3br
1055	GeF4	Germanium tetrafluoride	gef4
1056	CCl4+	Carbon tetrachloride cation	ccl4+
1057	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1058	CBrCl2F	bromodichlorofluoromethane	cbrcl2f
1059	CF3I	trifluoroiodomethane	cf3i
1060	CBrCl3	Methane, bromotrichloro-	cbrcl3
1061	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1062	GeCl4	Germanium Tetrachloride	gecl4
1063	CBr2ClF	dibromochlorofluoromethane	cbr2clf
1064	CBr2Cl2	dibromodichloromethane	cbr2cl2
1065	CCl3I	trichloroiodomethane	ccl3i
1066	CFBr3	fluorotribromomethane	cfbr3
1067	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1068	CBr3Cl	tribromochloromethane	cbr3cl
1069	CF2I2	difluorodiiodomethane	cf2i2
1070	CBr4	Carbon tetrabromide	cbr4
1071	CCl2I2	dichlorodiiodomethane	ccl2i2
1072	SiBr4	Silicon tetrabromide	sibr4
1073	CBr3I	tribromoiododmethane	cbr3i
1074	GeBr4	Germanium tetrabromide	gebr4
1075	CI4	tetraiodomethane	ci4
1076	SiI4	silicon tetraiodide	sii4
1077	ClOF3	Chlorine trifluoride oxide	clof3
1078	SeF4	Selenium tetrafluoride	sef4
1079	SCl4	Sulfur tetrachloride	scl4
1080	C2HF3+	Trifluoroethylene cation	c2hf3+
1081	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1082	HSO3F	Fluorosulfonic acid	hso3f
1083	CF3OH	trifluoromethanol	cf3oh
1084	CH2ClCCCl	1,3-dichloropropyne	ch2clcccl
1085	CHClCCHCl	1,3-dichloroallene	chclcchcl
1086	CHCl2CCH	3,3-dichloropropyne	chcl2cch
1087	CHCl2CHO	dichloroacetaldehyde	chcl2cho
1088	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1089	CHF2CH2F	Ethane, 1,1,2-trifluoro	ch2fchf2
1090	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1091	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1092	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1093	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1094	NH3BCl3	Amminetrichloroboron	nh3bcl3
1095	CH2CClCHCH2	1,3-Butadiene, 2-chloro-	c4h5cl
1096	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1097	CH2FCH2CH2F	1,3-difluoropropane	ch2fch2ch2f
1098	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1099	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1100	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1101	CH3CCl2CH3	Propane, 2,2-dichloro-	prdicl22
1102	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1103	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1104	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1105	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1106	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1107	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1108	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1109	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1110	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1111	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1112	C4H9F	1-fluorobutane	butaf1
1113	CH3CHFCH2CH3	2-fluorobutane	butaf2
1114	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1115	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1116	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1117	XeF4	Xenon tetrafluoride	xef4
1118	C2H2N2O	Furazan	furazan
1119	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1120	NH3BF3	Amminetrifluoroboron	nh3bf3
1121	C6H2	hexatriyne	c6h2
1122	C6H4	Benzyne	benzyne
1123	C6H5-	phenyl anion	phenyl-
1124	C6H6	Prismane	prismane
1125	C6H6	1,2,4,5-Hexatetraene	ht1245
1126	C6H6	3,4-Dimethylenecyclobutene	cb34m
1127	C6H6	Benzvalene	bv
1128	C6H6	Dewar Benzene	dewar
1129	C6H6	Hexa-1,5-diene-3-yne	hdy153
1130	C6H6	Trimethylenecycopropane	tmcp
1131	C6H6+	Benzene cation	c6h6+
1132	C6H7+	benzene, protonated	c6h7+
1133	C6H8	(Z)-hexa-2,3,4-triene	hetr234c
1134	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1135	C6H10	1,5-Hexadiene	c592427
1136	C6H10	3-Hexyne	hexyne3
1137	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1138	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1139	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1140	C6H12	(E)-2-Hexene	e2hexene
1141	C6H12	(E)-hex-3-ene	e3hexene
1142	C6H12	(Z)-hex-2-ene	z2hexene
1143	C6H12	(Z)-hex-3-ene	z3hexene
1144	C6H12	2,3-dimethylbut-1-ene	c563780
1145	C6H12	2,3-dimethyl-but-2-ene	tmeet
1146	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1147	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1148	N3P3	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1149	C4H2N2	Fumaronitrile	c4h2n2
1150	C2H2N4	sym-tetrazine	ttz
1151	C5H5N	E-2,4-pentadienenitrile	bdcn
1152	B3N3H6	borazine	borazine
1153	C5H6N+	Pyridinium	c5h6n
1154	C6H10	Bicyclo[3.1.0]hexane	c285585
1155	Li2CO3	Lithium Carbonate	li2co3
1156	Na2CO3	Sodium Carbonate	na2co3
1157	C2O4--	oxalate anion	c2o4
1158	MgSO4	Magnesium Sulfate	mgso4
1159	C3H2O3	vinylene carbonate	vica
1160	C2H2O4	Oxalic Acid	oxalic
1161	C4H4O2	2(5H)-Furanone	furanone
1162	C2H4N2S2	Ethanedithioamide	c79403
1163	C2H4CO3	Ethylene carbonate	etco3
1164	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1165	C3H4S3	1,3-Dithiolane-2-thione	c822388
1166	C2H4O4	Formic acid dimer	fadimer
1167	C4H5NS	4-Methylthiazole	c693958
1168	C2H5NO3	Nitric acid, ethyl ester	c625581
1169	C5H6O	2H-Pyran	pyran2
1170	C5H6O	2-methylfuran	furan2m
1171	C5H6O	3-Methylfuran	furan3m
1172	C5H6O	Pentadienal	pdal
1173	C5H6S	Thiophene, 2-methyl-	c554143
1174	C5H6S	Thiophene, 3-methyl-	c616444
1175	C4H6O2	γ–Butyrolactone	c96480
1176	C4H6O2	2,3-Butanedione	c431038
1177	C4H6O2	Crotonic Acid	crot
1178	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1179	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1180	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1181	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1182	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1183	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1184	C4H6OS	Vinyl sulfoxide	c1115157
1185	CH6N4S	Carbonothioic dihydrazide	thiacarb
1186	C3H6S3	1,3,5-Trithiane	c3h6s3
1187	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1188	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1189	C4H7NO	Ethoxyacetonitrile	etoaccn
1190	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1191	C3H7ONO	Propyl nitrite	prono
1192	C5H8O	Cyclopentanone	c120923
1193	C5H8O	Methyl cyclopropyl ketone	c765435
1194	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1195	C4H8O2	1,3-Dioxane	dioxan13
1196	C4H8O2	Ethyl acetate	c141786
1197	C4H8OS	s-Ethyl thioacetate	c625605
1198	C3H8O2S	(Methylsulfonyl)ethane	c594434
1199	C5H10O	2-Butanone, 3-methyl-	c563804
1200	C5H10O	2-methylbutyraldehyde	2meba
1201	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1202	C5H10S	3-Ethylthio-1-propene	c5296628
1203	C5H10S	Cyclopentanethiol	c1679078
1204	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1205	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1206	C4H10OS	Diethyl sulfoxide	c70291
1207	C4H10S2	1,4-Butanedithiol	budisl14
1208	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1209	C5H12S	1-Butanethiol, 3-methyl-	c541311
1210	C5H12S	1-Pentanethiol	c110667
1211	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1212	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1213	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1214	C5H12S	Butane, 1-(methylthio)-	c628295
1215	C5H12S	Ethyl propyl sulfide	c4110503
1216	C5H12S	Propane, 2-(ethylthio)-	c5145993
1217	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1218	C4F2	difluorobutadiyne	c4f2
1219	ClCOClCO	Oxalyl chloride	oxcl
1220	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1221	C2F4+	Tetrafluoroethylene cation	c2f4+
1222	C2ClF3	Ethene, chlorotrifluoro-	c2f3cl
1223	CF2CCl2	difluorodichloroethylene	cf2ccl2
1224	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1225	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1226	C2FCl3	fluorotrichloroethene	c2fcl3
1227	C2Br4	tetrabromoethene	c2br4
1228	AsF5	Arsenic pentafluoride	asf5
1229	SF5	Sulfur pentafluoride	sf5
1230	SF5+	pentafluoro sulfur cation	sf5+
1231	SbCl5	Antimony pentachloride	sbcl5
1232	BrF5	bromine pentafluoride	brf5
1233	IF5	pentafluoroiodine	if5
1234	CF3CHO	trifluoroacetaldehyde	cf3cho
1235	CCl3CHO	trichloroacetaldehyde	ccl3cho
1236	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1237	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1238	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1239	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1240	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1241	CH2ClCCl3	1,1,1,2-tetrachloroethane	ch2clccl3
1242	CH2BrCBr3	1,1,1,2-tetrabromo ethane	c2h2br4
1243	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1244	CF3COOH	trifluoroacetic acid	cf3cooh
1245	C4H3ClO	Furan, 2-chloro	fur2cl
1246	C4H3ClO	Furan,3-chloro	fur3cl
1247	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1248	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1249	C4H8Cl2	1,4-Dichlorobutane	c110565
1250	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1251	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1252	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1253	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1254	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1255	C5H11Cl	Pentane, 1-chloro-	pencl1
1256	C4H8O2	Butanoic acid	bua
1257	C7H7	cycloheptatrienyl radical	c7h7
1258	C7H7+	cycloheptatrienyl cation	c7h7+
1259	C7H8	cycloheptatriene	cht
1260	C7H8	Norbornadiene	norbor
1261	C7H8	Quadricyclane	qucy
1262	C7H14	cycloheptane	c7h14
1263	C7H16	3-methylhexane	hex3m
1264	CH(CN)3	tricyanomethane	mecn3
1265	HN=C=C(CN)2	Dicyanoketenimine	c4hn3
1266	C6H7N	2-Methylpyridine	mp
1267	C6H5NH2	aniline	aniline
1268	C6H13N	2-Methylpiperidine	pip2m
1269	C6H13N	cyclohexanamine	cham
1270	C6H15N	triethylamine	tea
1271	C4H2O3	Maleic Anhydride	malan
1272	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1273	C5H4O2	furfural	furfural
1274	C6H5O	phenoxy radical	phenoxy
1275	C5H5NO	2(1H)-Pyridinone	c72762006
1276	C5H5NO	2(3H)-Pyridinone	c9000048
1277	C5H5NO	2(5H)-Pyridinone	c9000037
1278	C5H5NO	2-Pyridinol	c109104
1279	C5H5NO	3(2H)-Pyridinone	c9000004
1280	C5H5NO	3(4H)-Pyridinone	c9000026
1281	C5H5NO	3(6H)-Pyridinone	c9000015
1282	C5H5NO	3-Pyridinol	c109002
1283	C5H5NO	4(1H)-Pryidinone	c9000060
1284	C5H5NO	4(3H)-Pryidinone	c9000059
1285	C5H5NO	4-Pyridinol	c626642
1286	C6H6O	2,4-Cyclohexadienone	c24599573
1287	C6H6O	2,5-Cyclohexadienone	c5664335
1288	C6H5SH	Benzenethiol	phsh
1289	HO2CCHNH2CH2OH	Serine	serine
1290	C5H8O2	Acetylacetone	acac
1291	C4H8O2S	Sulfolane	sulfolane
1292	C7H10	Norbornene	norbornene
1293	CH(C2H3)3	trivinyl methane	tvm
1294	C6H12O	hexanal	c6h12o
1295	C6H12O	Oxepane	oxepane
1296	C3H7OC3H7	di-n-propyl ether	propr
1297	F2CCCF2	tetrafluoroallene	pfa
1298	CF3COO-	trifluoro acetate anion	cf3coo-
1299	CF3COF	trifluoroacetyl fluoride	cf3cof
1300	CF3COCl	trifluoroacetyl chloride	cf3cocl
1301	PF6	Hexafluorophosphate neutral	pf6
1302	SeF6	Selenium hexafluoride	sef6
1303	CF3CHF2	pentafluoroethane	cf3chf2
1304	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1305	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1306	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1307	CCl3CHCl2	pentachloroethane	ccl3chcl2
1308	C6H5Cl	chlorobenzene	bzcl
1309	C6H5Br	bromobenzene	bzbr
1310	C8H6	Calicene	calicene
1311	C8H6	benzocyclobutadiene	bcbd
1312	C8H6	Pentalene	pentalene
1313	C6H5CH2CH3	Ethylbenzene	etbz
1314	CH3C6H4CH3	meta-xylene	mxylene
1315	CH3C6H4CH3	paraxylene	pxylene
1316	C8H14	Bicyclo[2.2.2]octane	bico222
1317	C8H16	cyclooctane	cyclooct
1318	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1319	C8H18	Octane	c8h18
1320	C6H12N2	Triethylenediamine	ted
1321	C4O4--	squarate dianion	c4o4--
1322	S4N4	Tetrasulfur tetranitride	s4n4
1323	C6H4O2	parabenzoquinone	pbq
1324	C4H4N2O2	Uracil	uracil
1325	C5H9NO2	Proline	proline
1326	C6H12O2	Methyl pivalate	c598981
1327	C6H12O2	Hexanoic acid	hexa
1328	C4F4	tetrafluorcyclobutadiene	c4f4
1329	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1330	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1331	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1332	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1333	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1334	C2Cl6	hexachloroethane	c2cl6
1335	IF7	Iodine heptafluoride	if7
1336	C6H4F2	metadifluorobenzene	mdfb
1337	C6H4F2	orthodifluorobenzene	odfb
1338	C6H4F2	1,4-difluorobenzene	pdfb
1339	C6H4Cl2	1,2-dichlorobenzene	dcb12
1340	C6H4Cl2	1,3-dichlorobenzene	dcb13
1341	C6H4Cl2	1,4-dichlorobenzene	dcb14
1342	C6H5NO	nitrosobenzene	bzno
1343	C9H8	Indene	indene
1344	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1345	C9H12	n-propyl benzene	prbz
1346	C9H20	Nonane	nonane
1347	C(CN)4	tetracyanomethane	c5n4
1348	C5H4N4	purine	purine
1349	C8H7N	Indole	indole
1350	C3H3N3O3	cyanuric acid	cyanuric
1351	CH3COC6H5	acetophenone	acph
1352	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1353	C3F6	hexafluoropropene	c3f6
1354	C6H3F3	Benzene trifluoride 123	bzf3a
1355	C8H18O	1-Octanol	octanol
1356	C10H8	Azulene	azu
1357	C10H10	bullvalene	bullv
1358	C6N4	Tetracyanoethylene	tcne
1359	C6N4-	tetracyanoethylene anion	tcne-
1360	C10H22	Decane	decane
1361	C4F6	perfluorobutadiene	c4f6
1362	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1363	C3F8	perfluoropropane	c3f8
1364	Fe(CO)5	Iron pentacarbonyl	ipc
1365	Fe(C5H5)2	ferrocene	fecp2
1366	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1367	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1368	C12H8	Acenaphthylene	acenaph
1369	C12H8	biphenylene	biph
1370	C12H10	Heptalene	heptalene
1371	C6H12O6	Inositol	inositol
1372	C6F6	hexafluorobenzene	c6f6
1373	S2F10	disulphur decafluoride	s2f10
1374	C13H10	Fluorene	fluorene
1375	C14H10	Anthracene	anth
1376	C14H10	Phenanthrene	phenanthrene
1377	C14H14	Bibenzyl	bibenzyl
1378	C12H10N2	azobenzene	azobenzene
1379	C6H5COC6H5	benzophenone	benzophenone
1380	C16H10	Pyrene	pyrene
1381	C18H12	Tetracene	tetracene
1382	C19H16	Triphenylmethane	tpm
1383	C24H12	Coronene	coronene
1384	C60	Buckminsterfullerene	c60