National Institute of Standards and Technology

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

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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 HF /cc-pV(T+d)Z

Jump to calculations not yet done

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 cation	2B1	C2v
94	HDO	Water-d1	1A1	C2v
95	D2S	Hydrogen sulfide-d2	1A1	C2v
96	H2S	Hydrogen sulfide	1A1	C2v
97	H2S+	Hydrogen sulfide cation	2B1	C2v
98	H3O+	hydronium cation	1A1	C3v
99	H3S+	Sulfonium cation	1A1	C3v
100	F	Fluorine atom	2P	Kh
101	Cl	Chlorine atom	2P	Kh
102	DF	Hydrofluoric acid-d	1Σ	C∞v
103	HF	Hydrogen fluoride	1Σ	C∞v
104	HF-	hydrogen fluoride anion	2Σ	C∞v
105	HF+	hydrogen fluoride cation	2Π	C∞v
106	HCl	Hydrogen chloride	1Σ	C∞v
107	HCl-	hydrogen chloride anion	2Σ	C∞v
108	HCl+	hydrogen chloride cation	2Π	C∞v
109	H2F+	dihydrogen fluoride cation	1A1	C2v
110	H2Cl+	dihydrogen monochloride cation	1A1	C2v
111	Ne	Neon atom	1S	Kh
112	NeH+	neon hydrogen cation	1Σ	C∞v
113	Li2	Lithium diatomic	1Σg	D∞v
114	Li2-	lithium diatomic anion	2Σu	D∞h
115	Li2+	lithium diatomic cation	2Σg	D∞h
116	NaLi	lithium sodium	1Σ	C∞v
117	NaLi-	lithium sodium anion	2Σ	C∞v
118	NaLi+	lithium sodium cation	2Σ	C∞v
119	Na2	Sodium diatomic	1Σg	D∞h
120	Na2-	sodium diatomic anion	2Σu	D∞h
121	Na2+	sodium diatomic cation	2Σg	D∞h
122	Be2-	Beryllium diatomic anion	2Πu	D∞h
123	Be2+	Beryllium diatomic cation	2Σu	D∞h
124	Mg2-	magnesium diatomic anion	2ΠU	D∞h
125	Mg2+	magnesium diatomic cation	2Σu	D∞h
126	B2	Boron diatomic	3Σg	D∞h
127	B2	Boron diatomic	1Σg	D∞h
128	B2	Boron diatomic	5Σu	D∞h
129	B2-	Boron diatomic anion	4Σg	D∞h
130	BAl	Boron Aluminum	3Σ	C∞v
131	B2H6	Diborane	1Ag	D2h
132	BC-	boron monocarbide anion	3Πu	C∞v
133	BC-	boron monocarbide anion	1Σg+	C∞v
134	BC+	boron monocarbide cation	3Σ	C∞v
135	BC+	boron monocarbide cation	1Σ	C∞v
136	AlC	Aluminum carbide	4Σ	C∞v
137	C2	Carbon diatomic	1Σg+	D∞h
138	C2	Carbon diatomic	3Πu	D∞h
139	C2-	carbon diatomic anion	2Σg	D∞h
140	C2+	carbon diatomic cation	2Π	D∞h
141	SiC	silicon monocarbide	3Σ	C∞v
142	SiC	silicon monocarbide	1Σ	C∞v
143	Si2	Silicon diatomic	3Σg	D∞h
144	C2H	Ethynyl radical	2Σ	C∞v
145	C2H2	Acetylene	1Σg	D∞h
146	C2H2+	acetylene cation	2Πu	D∞h
147	CCH2	vinylidene	1A1	C2v
148	C2H3	vinyl	2A'	Cs
149	C2H4	Ethylene	1Ag	D2h
150	C2H5	Ethyl radical	2A'	Cs
151	C2H6	Ethane	1A1g	D3d
152	CH3SiH3	methyl silane	1A1	C3
153	Si2H6	disilane	1Eu	D3d
154	BeN-	Beryllium mononitride anion	1Σ	C∞v
155	BN-	boron nitride anion	2Σ	C∞v
156	BN	boron nitride	3Π	C∞v
157	BN	boron nitride	1Σ	C∞v
158	BN+	boron nitride cation	2Π	C∞v
159	AlN	Aluminum nitride	3Πi	C∞v
160	CN	Cyano radical	2Σ	C∞v
161	CN-	cyanide anion	1Σ	C∞v
162	CN+	Cyano cation	1Σ	C∞v
163	CP	Carbon monophosphide	2Σ	C∞v
164	SiN	Silicon nitride	2Σ	C∞v
165	SiP	Silicon monophosphide	2Π	C∞v
166	N2	Nitrogen diatomic	1Σg	D∞h
167	N2-	nitrogen diatomic anion	2Πg	D∞h
168	N2+	diatomic nitrogen cation	2Σg	D∞h
169	PN	Phosphorus mononitride	1Σ	C∞v
170	P2	Phosphorus diatomic	1Σg	D∞h
171	HNC	hydrogen isocyanide	1Σ	C∞v
172	HCN	Hydrogen cyanide	1Σ	C∞v
173	HCN+	hydrogen cyanide cation	2Π	C∞v
174	HCP	Phosphaethyne	1Σ	C∞v
175	NNH	Dinitrogen monohydride	2A'	Cs
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	CH3SH2+	protonated methylsulfide	1A'	Cs
264	LiF	lithium fluoride	1Σ	C∞v
265	LiCl	lithium chloride	1Σ	C∞v
266	LiCl-	lithium chloride anion	2Σ	C∞v
267	LiCl+	lithium chloride cation	2Π	C∞v
268	NaF	sodium fluoride	1Σ	C∞v
269	NaF-	sodium fluoride anion	2Σ	C∞v
270	NaF+	sodium fluoride cation	2Σ	C∞v
271	NaCl	Sodium Chloride	1Σ	C∞v
272	NaCl-	sodium chloride anion	2Σ	C∞v
273	NaCl+	sodium chloride cation	2Π	C∞v
274	LiF-	lithium fluoride anion	2Σ	C∞v
275	LiF+	lithium fluoride cation	2Π	C∞v
276	BeF	Beryllium monofluoride	2Σ	C∞v
277	BeF-	Beryllium monofluoride anion	1Σ	C∞v
278	BeF+	Beryllium monofluoride cation	1Σ	C∞v
279	BeCl	beryllium monochloride	2Σ	C∞v
280	MgF	Magnesium monofluoride	2Σ	C∞v
281	MgF-	magnesium fluoride anion	1Σ	C∞v
282	MgF+	magnesium fluoride cation	1Σ	C∞v
283	MgCl	magnesium monochloride	2Σ	C∞v
284	MgCl-	magnesium monochloride anion	1Σ	C∞v
285	MgCl+	magnesium monochloride cation	1Σ	C∞v
286	BeCl-	beryllium monochloride anion	1Σ	C∞v
287	BeCl+	beryllium monochloride cation	1Σ	C∞v
288	BF	Boron monofluoride	1Σ	C∞v
289	BF-	Boron monofluoride anion	2Π	C∞v
290	BF+	Boron monofluoride cation	2Σ	C∞v
291	AlF	Aluminum monofluoride	1Σ+	C∞v
292	BCl	boron monochloride	1Σ	C∞v
293	BCl-	boron monochloride anion	2Π	C∞v
294	BCl+	boron monochloride cation	2Σ	C∞v
295	AlCl	Aluminum monochloride	1Σ	C∞v
296	AlCl-	aluminum monochloride anion	2Π	C∞v
297	AlCl+	aluminum monochloride cation	2Σ	C∞v
298	CF	Fluoromethylidyne	2Π	C∞v
299	CF-	carbon monofluoride anion	3Σ	C∞v
300	CF-	carbon monofluoride anion	1Σ	C∞v
301	CF+	carbon monofluoride cation	1Σ	C∞v
302	CCl	carbon monochloride	2Π	C∞v
303	CCl-	carbon monochloride anion	3Σ	C∞v
304	CCl+	carbon monochloride cation	1Σ	C∞v
305	SiF	silicon monofluoride	2Π	C∞v
306	SiF+	silicon monofluoride cation	1Σ	C∞v
307	SiCl	Clorosilylidyne	2Π	C∞v
308	SiCl-	silicon monochloride anion	3Σ	C∞v
309	SiCl+	silicon monochloride cation	1Σ	C∞v
310	NF	nitrogen fluoride	3Σ	C∞v
311	NF	nitrogen fluoride	1Σ	C∞v
312	NF-	nitrogen monofluorine anion	2Π	C∞v
313	NF+	nitrogen monofluoirde cation	2Π	C∞v
314	NCl	nitrogen monochloride	3Σ	C∞v
315	NCl-	nitrogen monochloride anion	2Π	C∞v
316	NCl+	nitrogen monochloride cation	2Π	C∞v
317	PF	phosphorus monofluoride	3Σ	C∞v
318	PCl	phosphorus chloride	3Σ	C∞v
319	PCl-	phosphorus monochloride anion	2Π	C∞v
320	PCl+	phosphorus monochloride cation	2Π	C∞v
321	FO	Oxygen monofluoride	2Π	C∞v
322	FO-	flourine oxide anion	1Σ	C∞v
323	FO+	fluorine monoxide cation	3Σ	C∞v
324	ClO	Monochlorine monoxide	2Π	C∞v
325	ClO+	chlorine monoxide cation	3Σ	C∞v
326	SF	Monosulfur monofluoride	2Π	C∞v
327	SF+	sulfur monofluoride cation	3Σ	C∞v
328	SCl	sulfur monochloride	2Π	C∞v
329	SCl-	sulfur monochloride anion	1Σ	C∞v
330	SCl+	sulfur monochloride cation	3Σg	C∞v
331	SBr	Sulfur monobromide radical
332	F2	Fluorine diatomic	1Σg	D∞h
333	F2-	flourine diatomic anion	2Σu	D∞h
334	F2+	flourine diatomic cation	2Πg	D∞h
335	ClF	Chlorine monofluoride	1Σ+	C∞v
336	ClF-	clorine monofluoride anion	2Σ	C∞v
337	ClF+	clorine monofluoride cation	2Π	C∞v
338	Cl2	Chlorine diatomic	1Σg	D∞h
339	Cl2-	chlorine diatomic anion	2Σu	D∞h
340	Cl2+	chlorine diatomic cation	2Πg	D∞h
341	HCF	Fluoromethylene	1A'	Cs
342	HOF	Hypofluorous acid	1A'	Cs
343	HOCl	hypochlorous acid	1A'	Cs
344	CH2Cl	chloromethyl radical	2A'	Cs
345	H2F2	Hydrogen fluoride dimer	1Ag	Cs
346	CH3F	Methyl fluoride	1A1	C3v
347	CH3Cl	Methyl chloride	1A1	C3v
348	SiH3F	monofluorosilane	1A1	C3v
349	SiH3Cl	chlorosilane	1A1	C1
350	C3	carbon trimer	1Σg	D∞h
351	C3H3	Propargyl radical	2B1	Cs
352	CH2CCH2	allene	1A1	D2d
353	CH3CCH	propyne	1A'	C3v
354	C3H6	Cyclopropane	1A1'	D3h
355	CH2CHCH3	Propene	1A'	Cs
356	C3H7	n-Propyl radical	2A"	C1
357	C3H8	Propane	1A1	C2v
358	SiH2(CH3)2	dimethylsilane	1A1	C2v
359	Si3H8	trisilane
360	HN3	hydrogen azide	1A'	Cs
361	CH2NN	diazomethane	1A1	C2v
362	CH3CN	Acetonitrile	1A1	C3v
363	CH3NC	methyl isocyanide	1A1	C3v
364	NHCHNH2	aminomethanimine	1A	C1
365	C2H5N	Aziridine	1A'	C1
366	CH3CH2NH2	Ethylamine	1A'	Cs
367	CH3NHCH3	Dimethylamine	1A'	Cs
368	Li2O	dilithium oxide	1Σg	D∞h
369	Li2S	dilithium sulfide	1ΣG	D∞h
370	Li2S	dilithium sulfide	1A1	C2v
371	SCN	thiocyanato radical	2Π	C∞v
372	SCN-	thiocyanide anion	1Σ	C∞v
373	BO2	Boron dioxide	2A'	D∞h
374	N2O	Nitrous oxide	1Σ	C∞v
375	NNS	Nitrogen sulfide	1Σ	C∞v
376	CO2	Carbon dioxide	1Σg	D∞h
377	OCS	Carbonyl sulfide	1Σ	C∞v
378	SiO2	silicon dioxide	1Σg	D∞h
379	CS2	Carbon disulfide	1Σg	D∞h
380	SiS2	Silicon disulfide	1ΣG	D∞h
381	NO2	Nitrogen dioxide	2A1	C2v
382	NSO	sulfinyl amidogen
383	PO2	Phosphorus dioxide	2A1	C2v
384	SNO	Nitrogen oxide sulfide
385	O3	Ozone	1A1	Cs
386	SO2	Sulfur dioxide	1A1	C2v
387	SSO	Disulfur monoxide	1A'	Cs
388	S3	Sulfur trimer	1A1	C2v
389	S3	Sulfur trimer
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	CH2O2	Dioxirane	1A1	C2v
403	HCOOH	Formic acid	1A'	Cs
404	HSSSH	trisulfane	1A	C2
405	HSSSH	trisulfane	1A'	Cs
406	CH3CO	Acetyl radical	2A'	Cs
407	CHONH2	formamide	1A'	Planar
408	CH3OO	methylperoxy radical	2A"	Cs
409	C2H4O	Ethylene oxide	1A1	C2v
410	CH2CHOH	ethenol	1A'	Cs
411	CH3CHO	Acetaldehyde	1A'	Cs
412	C2H4S	Thiirane	1A1	C2v
413	CH3CHS	Thioacetaldehyde	1A'	C1
414	CH3OOH	Methyl peroxide	1A	C1
415	CH3SSH	Hydrogen methyl disulfide
416	CH3CH2OH	Ethanol	1A'	Cs
417	CH3OCH3	Dimethyl ether	1A1	C2v
418	CH3CH2SH	ethanethiol	1A'	Cs
419	CH3SCH3	Dimethyl sulfide	1A1	C2v
420	FCN	Cyanogen fluoride	1Σ	C∞v
421	ClCN	chlorocyanogen	1Σ	C∞v
422	MgCl2	Magnesium dichloride	1Σg	C2v
423	FNO	Nitrosyl fluoride	1A'	Cs
424	ClNO	Nitrosyl chloride	1A'	Cs
425	FNS	Thionitrosyl fluoride	1A'	Cs
426	FSN	Thiazyl fluoride	1A'	Cs
427	OPCl	Phosphorus oxychloride
428	CF2	Difluoromethylene	1A1	D∞h
429	CCl2	dichloromethylene	1A1	C2v
430	SiCl2	Dichlorosilylene	1A1	C2v
431	GeCl2	Germanium dichloride	1A1	C2v
432	FOO	Dioxygen monofluoride radical	2A"	Cs
433	ClOO	chloroperoxy radical	2A"	Cs
434	OClO	Chlorine dioxide	2B1	D∞h
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	HFCO	formyl fluoride	1A'	Cs
448	BHF2	Difluoroborane	1A1	C2v
449	BHCl2	Borane, dichloro-	1A1	C2v
450	CH2F2	Methane, difluoro-	1A1	C2v
451	CH2FCl	fluorochloromethane	1A'	Cs
452	CH2Cl2	Methylene chloride	1A1	C2v
453	SiH2Cl2	dichlorosilane	1A1	C2v
454	CH2CHF	Ethene, fluoro-	1A'	Cs
455	C2H3Cl	Ethene, chloro-	1A'	Cs
456	C2H5F	fluoroethane	1A'	Cs
457	C4	Carbon tetramer	3Σg	D∞h
458	C4H2	Diacetylene	1Σg	D∞h
459	C2H3CCH	1-Buten-3-yne	1A'	C1
460	H2CCCCH2	Butatriene	1Ag	D2h
461	C4H6	1-Methylcyclopropene	1A	C1
462	C4H6	Cyclobutene	1A1	C2v
463	C4H6	Methylenecyclopropane	1A1	C2v
464	CH2CCHCH3	1,2-Butadiene	1A'	C1
465	CH2CHCHCH2	1,3-Butadiene	1Ag	C2h
466	CH3CCCH3	2-Butyne	1A1'	D3h
467	CH2C(CH3)CH3	1-Propene, 2-methyl-	1A1	C2v
468	CH3CHCHCH3	2-Butene, (E)-	1Ag	C2h
469	CH3CHCHCH3	2-Butene, (Z)-	1A1	C2v
470	C(CH3)3	Tert-butyl radical	2A"	C3v
471	CH2CH(CH3)2	Isobutyl radical	2A'	C1
472	CH3CHCH2CH3	2-Butyl radical	1A	C1
473	CH3CH(CH3)CH3	Isobutane	1A1	C3v
474	CH3CH2CH2CH3	Butane	1Ag	Anti
475	SiH(CH3)3	trimethylsilane	1A1	C3v
476	C2N2	Cyanogen	1Σg	D∞h
477	P4	Phosphorus tetramer	1A1	Td
478	HCCCN	Cyanoacetylene	1Σ	C∞v
479	C3H3N	acrylonitrile	1A'	Cs
480	C3H7N	Cyclopropylamine	1A'	C1
481	C4H8	cyclobutane	1A1	D2d
482	C2H8N2	Ethylenediamine	1Ag	C2h
483	CH3CH(NH2)CH3	2-Propanamine	1A'	Cs
484	N(CH3)3	Trimethylamine	1A1	C3v
485	B2O2	Diboron dioxide	1Σg	D∞h
486	S2N2	Disulfur dinitride	1AG	D2h
487	CO3--	carbonate	1A1'	D3h
488	CS3--	Carbonotrithioate
489	NO3	Nitrogen trioxide	2A1'	all bonds equal
490	SO3	Sulfur trioxide	1A1'	D3h
491	S4	Sulfur tetramer
492	S4	Sulfur tetramer
493	S4	Sulfur tetramer
494	HNO3	Nitric acid	1A'	Cs
495	C2H2O2	Ethanedial	1Ag	C2h
496	CH3COO-	acetate anion	1A'	eclipsed
497	CH3ONO	Methyl nitrite	1A'	C1
498	H3AlO3	Aluminum hydroxide
499	C3H4O	allenol	1A'	Cs
500	C3H4O	Cyclopropanone	1A1	C2v
501	CH2CHCHO	Acrolein	1A'	Cs
502	NH2CONH2	Urea	1A	C2
503	NH2CSNH2	Thiourea	1A	C2
504	CH3COOH	Acetic acid	1A'	Cs
505	CH3OCHO	methyl formate	1A'	Cs
506	CHOCH2OH	hydroxy acetaldehyde	1A'	CS H in
507	CH3CHNOH	Acetaldoxime	1A'	CS trans
508	CH3CONH2	Acetamide	1A'	C1
509	CH3CSNH2	Ethanethioamide
510	C3H6O	Propylene oxide	1A	C1
511	CH3CH2CHO	Propanal	1A'	Cs
512	CH3COCH3	Acetone	1A1	C2v
513	C3H6S	Thietane	1A'	Cs
514	C2H6O2	1,2-Ethanediol	1Ag	C2h
515	CH3SSCH3	Disulfide, dimethyl	1A	C2
516	C3H7OH	1-Propanol	1A'	Cs
517	CH3CHOHCH3	Isopropyl alcohol	1A	C1
518	CH3OC2H5	Ethane, methoxy-	1A'	Cs
519	C2F2	difluoroacetylene	1Σg	D∞h
520	C2Cl2	dichloroacetylene	1Σg	C2h
521	ClNO2	Nitryl chloride	1A1	C2v
522	N2F2	(Z)-Difluorodiazene	1A1	C2v
523	N2F2	Dinitrogen difluoride, (E)-	1Ag	C2h
524	CF2O	Carbonic difluoride	1A1	C2v
525	CCl2O	Phosgene	1A1	C2v
526	Cl2CS	Thiophosgene	1A1	C2v
527	BF3	Borane, trifluoro-	1A'	D3h
528	AlF3	Aluminum trifluoride	1A1'	D3h
529	AlF2Cl	Aluminum chloride difluoride	1A1	C2v
530	AlFCl2	Aluminum dichloride fluoride	1A1	C2v
531	BCl3	Borane, trichloro-	1A1'	D3h
532	AlCl3	Aluminum trichloride	1A1'	D3h
533	ClO3-	chlorate anion	1A1	C3v
534	CF3	Trifluoromethyl radical	2A1	C3v
535	SiF3	Silicon trifluoride radical	2A1	C3v
536	SiCl3	trichlorosilyl radical	2A1	C3v
537	SiCl3+	trichlorosilyl cation	1A1'	D3h
538	ClO2F	Chloryl fluoride	1A'	Cs
539	F2SO	Thionyl Fluoride	1A'	Cs
540	FSSF	Difluorodisulfane	1A	C2
541	S2F2	Thio-thionyl fluoride	1A'	Cs
542	SOCl2	thionyl chloride	1A'	Cs
543	SSCl2	Thiothionyl chloride
544	NF3	Nitrogen trifluoride	1A1	C3v
545	PF3	Phosphorus trifluoride	1A1	C3v
546	NCl3	nitrogen trichloride	1A1	C3v
547	PCl3	Phosphorus trichloride	1A1	C3v
548	ClSSCl	Disulfur dichloride	1A	C2
549	SF3	Sulfur trifluoride	2A'	Cs
550	ClF3	Chlorine trifluoride	1A1'	D3h
551	ClF3	Chlorine trifluoride	1A1	C2v
552	HClO3	Chloric Acid	1A	C1
553	CHF3	Methane, trifluoro-	1A1	C3v
554	CHF2Cl	difluorochloromethane	1A'	Cs
555	CHFCl2	fluorodichloromethane	1A'	Cs
556	CHCl3	Chloroform	1A1	C3v
557	SiHCl3	Trichlorosilane	1A1	C3v
558	C2H2F2	Ethene, 1,2-difluoro-, (Z)-	1A1	C2v
559	CH2CF2	Ethene, 1,1-difluoro-	1A1	C2v
560	CH2CCl2	Ethene, 1,1-dichloro-	1A1	C2v
561	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	1Ag	C2h
562	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	1A1	C2v
563	CH3COF	Acetyl fluoride	1A'	NULL
564	CH3COCl	Acetyl Chloride	1A'	Cs
565	CH3CHF2	Ethane, 1,1-difluoro-	1A'	Cs
566	C5H5-	cylopentadienyl anion	1A1'	D5h
567	C5H6	1,3-Cyclopentadiene	1A1	C2v
568	C5H6	1-Buten-3-yne, 2-methyl-	1A'	Cs
569	C5H6	3-Penten-1-yne, (E)-	1A'	Cs
570	C5H6	3-Penten-1-yne, (Z)-	1A'	Cs
571	C5H6	Bicyclo[2.1.0]pent-2-ene	1A'	Cs
572	C5H6	Cyclopropylacetylene	1A'	C1
573	C5H8	1,2-Butadiene, 3-methyl-	1A1	C2v
574	C5H8	1,2-Pentadiene	1A'	C1
575	C5H8	1,3-Butadiene, 2-methyl-	1A'	Cs
576	C5H8	1,3-Pentadiene, (E)-	1A'	C1
577	C5H8	1,3-Pentadiene, (Z)-	1A'	Cs
578	C5H8	1,4-Pentadiene	1A	C2
579	C5H8	2,3-Pentadiene	1A	C1
580	C5H8	Cyclobutane, methylene-	1A'	Cs
581	C5H8	Cyclopentene	1A'	Cs
582	C5H10	1-Butene, 2-methyl-	1A	C1
583	C5H10	2-Butene, 2-methyl-	1A'	Cs
584	C5H10	2-Pentene, (E)-	1A'	Cs
585	C5H10	2-Pentene, (Z)-	1A	C1
586	C5H10	Cyclopentane	1A	C1
587	C5H10	Cyclopropane, 1,1-dimethyl-	1A1	C1
588	CH2CHCH2CH2CH3	1-pentene	1A	C1
589	C5H11	2-Methylbut-2-yl radical	1A	C1
590	C5H12	Butane, 2-methyl-	1A	C1
591	C5H12	Pentane	1A1	C2v
592	C5H12	Propane, 2,2-dimethyl-	1A1	Td
593	Si(CH3)4	tetramethylsilane	1A1	Td
594	N2O3	Dinitrogen trioxide	1A'	Cs
595	C3H2N2	Malononitrile	1A1	Cs
596	C3H4N2	1H-Imidazole	1A'	Cs
597	C3H4N2	1H-Pyrazole	1A'	Cs
598	C4H5N	(E)-2-Butenenitrile	1A'	Cs
599	C4H5N	(Z)-2-Butenenitrile	1A'	Cs
600	C4H5N	Cyclopropanecarbonitrile	1A'	Cs
601	C4H5N	Pyrrole	1A1	C2v
602	C3H6N2	3-Aminopropionitrile	1A'	Cs
603	C5H8	Bicyclo[2.1.0]pentane	1A'	Cs
604	C5H8	Spiropentane	1A1	D2d
605	C4H9N	Cyclobutylamine	1A'	Cs
606	C4H9N	Pyrrolidine	1A'	Cs
607	C3H10N2	1,2-Diaminopropane	1A	C1
608	C(CH3)3NH2	2-Propanamine, 2-methyl-	1A	C1
609	C(NH2)H2C(CH3)HCH3	1-Propanamine, 2-methyl-	1A	C1
610	C(NH2)H2CH2CH2CH3	1-Butanamine	1A'	Cs
611	CH3C(NH2)HCH2CH3	2-Butanamine	1A	C1
612	C3O2	Carbon suboxide	1A1	C2v
613	PO4---	phosphate	1A1	Td
614	SO4--	sulfate	1A1	Td
615	H2SO4	Sulfuric acid	1A	C1
616	C3H3NO	Isoxazole	1A'	Cs
617	CH3NO3	Methyl nitrate	1A'	Cs
618	C4H4O	Furan	1A1	C2
619	C4H4S	Thiophene	1A1	C2v
620	C3H4O2	β–Propiolactone	1A'	Cs
621	C3H4O2	2-Propenoic acid	1A'	Cs
622	C3H4O2	propanedial	1A	C1
623	C3H4O2	propenalol	1A'	Cs
624	CH2CHCONH2	Acrylamide	1A	Cs
625	CH3OCH2CN	Methoxyacetonitrile	1A	C1
626	H2NCH2COOH	Glycine	1A'	Cs
627	C4H6O	cis-2-butenal	1A	Cs
628	C4H6O	Cyclobutanone	1A1	C2v
629	C4H6O	Furan, 2,3-dihydro-	1A	C1
630	C4H6O	Furan, 2,5-dihydro-	1A1	Cs
631	CH2CHOCHCH2	Vinyl ether	1A1	C2v
632	CHOCHCHCH3	2-Butenal	1A'	Cs
633	C2H6N2O	Urea, methyl-	1A	C1
634	C3H6O2	1,3-Dioxolane	1A	C1
635	CH3COOCH3	methyl acetate	1A'	Cs
636	C2H6O2S	Dimethyl sulfone	1A1	C2v
637	C3H7NO	Propanamide	1A'	C1
638	C2H3OC2H5	Ethene, ethoxy-	1A	C1
639	C4H8O	Cyclobutanol	1A'	C1
640	CH2C(CH3)OCH3	1-Propene, 2-methoxy-	1A	C1
641	CH3COCH2CH3	2-Butanone	1A'	Cs
642	CHOCH(CH3)CH3	Propanal, 2-methyl-	1A'	Cs
643	CHOCH2CH2CH3	Butanal	1A'	Cs
644	C3H8O2	1,3-Propanediol	1A1	C1
645	C3H8O2	Hydroperoxide, 1-methylethyl	1A	C1
646	C3H8O2	Methane, dimethoxy-	1A	C2
647	C3H8O2	Methane, dimethoxy-	1A1	C2v
648	C3H8O2	Propylene glycol	1A	C1
649	C4H10O	1-Propanol, 2-methyl-	1A	C1
650	C4H10O	2-Butanol, (.+/-.)-	1A	C1
651	C4H10O	Ethanol, 1,1-dimethyl-	1A	C1
652	C4H10O	Ethoxy ethane	1A1	C2v
653	C4H10O	Propane, 2-methoxy-	1A'	Cs
654	FNO3	Fluorine nitrate	1A'	Cs
655	ClO4-	perchlorate anion	1A1	Td
656	BF4-	tetrafluoroboron anion	1A1	Td
657	ClFO3	Perchloryl fluoride	1A1	Cs
658	SO2Cl2	Sulfuryl chloride	1A1	C2v
659	F3NO	Nitrogen trifluoride oxide	1A1	C3v
660	F3PO	Phosphoryl fluoride	1A1	C3v
661	Cl3PO	Phosphoryl chloride	1A1	C3v
662	CF4	Carbon tetrafluoride	1A1	Td
663	CF3Cl	Methane, chlorotrifluoro-	1A1	C3v
664	SiF4	Silicon tetrafluoride	1A1	Td
665	CF2Cl2	difluorodichloromethane	1A1	C2v
666	CFCl3	Trichloromonofluoromethane	1A1	C3v
667	CCl4	Carbon tetrachloride	1A1	Td
668	SiCl4	Silane, tetrachloro-	1A1	Td
669	SF4	Sulfur tetrafluoride	1A1	C2v
670	C2HF3	Trifluoroethylene	1A'	Cs
671	CHClCCl2	Trichloroethylene	1A'	Cs
672	HClO4	perchloric acid	1A	Cs
673	CH3CF3	Ethane, 1,1,1-trifluoro-	1A1	C3v
674	CH2ClCHCl2	1,1,2-trichloroethane	1A	C1
675	CH3CCl3	Ethane, 1,1,1-trichloro-	1A1	C3v
676	SiH3CCl3	(trichloromethyl)silane	1A1	C3v
677	C6H4	(Z)-Hexa-1,5-diyne-3-ene	1A1	C2v
678	C6H5	phenyl	2A1	C2v
679	C6H6	2,4-Hexadiyne	1A1'	D3h
680	C6H6	Benzene	1A1g	D6h
681	C6H8	(E)-hexa-1,3,5-triene	1Ag	Cs
682	C6H8	(E)-hexa-2,3,4-triene	1A'	C2h
683	C6H8	(Z)-hexa-2,3,4-triene	1A1	C2v
684	C6H8	1,4-Cyclohexadiene	1Ag	C2v
685	C6H8	3-Methylenecyclopentene	1A	C1
686	C6H8	Bicyclo[2.1.1]hex-2-ene	1A1	C2v
687	C6H8	Bicyclo[2.2.0]hex-1(4)-ene	1Ag	D2h
688	C6H8	Bicyclo[3.1.0]hex-2-ene	1A	C1
689	C6H10	1-Butyne, 3,3-dimethyl-	1A1	C3v
690	C6H10	2-Hexyne	1A'	C1
691	C6H10	cyclohexene	1A	C2
692	C6H10	Cyclopentene, 1-methyl-	1A	C1
693	C6H10	Cyclopentene, 3-methyl-	1A	C1
694	C6H10	Cyclopentene, 4-methyl-	1A	C1
695	C6H12	(E)-3-methylpent-2-ene	1A	C1
696	C6H12	(Z)-3-methylpent-2-ene	1A	C1
697	C6H12	3-methylenepentane	1A	C1
698	C6H12	Cyclohexane	1A1g	Chair
699	C6H12	Cyclopentane, methyl-	1A	C1
700	C6H12	Ethylcyclobutane	1A	C1
701	C6H14	Butane, 2,2-dimethyl-	1A'	C1
702	C6H14	Butane, 2,3-dimethyl-	1Ag	C2h
703	C6H14	Hexane	1Ag	C2h
704	C4N2	2-Butynedinitrile	1Σg	D∞h
705	C3H3N3	1,3,5-Triazine	1A1'	D3h
706	CH3N5	5-Aminotetrazole	1A	C1
707	C4H4N2	1,3-Diazine	1A1	C2v
708	C4H4N2	Pyrazine	1Ag	D2h
709	C4H4N2	Pyridazine	1A1	C2v
710	C4H4N2	Succinonitrile	1Ag	C2h
711	C2H4N4	1H-Tetrazole, 1-methyl-	1A'	Cs
712	C2H4N4	1H-Tetrazole, 5-methyl-	1A'	C1
713	C2H4N4	2H-Tetrazole, 2-methyl-	1A	C1
714	C5H5N	Bicyclo[1.1.0]butane-1-carbonitrile	1A'	Cs
715	C5H5N	Pyridine	1A1	C2v
716	C6H6	Fulvene	1A1	C2v
717	C4H6N2	1H-Imidazole, 2-methyl-	1A'	Cs
718	C5H7N	(E)-2-Pentenenitrile	1A'	Cs
719	C5H7N	(E)-3-Pentenenitrile	1A	C1
720	C5H7N	(Z)-2-Pentenenitrile	1A	C1
721	C5H7N	Cyclobutanecarbonitrile	1A'	Cs
722	C5H9N	1,2,3,6-Tetrahydropyridine	1A	C1
723	C5H9N	Butanenitrile, 2-methyl-	1A	C1
724	C5H9N	Pentanenitrile	1A'	Cs
725	C5H9N	Propanenitrile, 2,2-dimethyl-	1A1	C1
726	C5H11N	Cyclopentanamine	1A'	Cs
727	C5H11N	Piperidine	1A'	NH axial
728	C4H12N2	1,2-Butanediamine	1A	C1
729	C4H12N2	2-Methyl-1,2-propanediamine	1A'	C1
730	C2H3NO3	Oxamic acid	1A'	H out
731	C4H4O2	2-Oxetanone, 4-methylene-	1A	C1
732	C2H4N2O2	Oxalamide	1Ag	C2h
733	C4H5NO	Isoxazole, 5-methyl-	1A	C1
734	C4H6O2	2-Propenoic acid, methyl ester	1A	C1
735	C2H6N2O2	(E)-Azodioxymethane	1Ag	C2h
736	C2H6N2O2	Dimethylnitroamine	1A	C1
737	C3H6O3	1,3,5-Trioxane	1A1	C1
738	C4H7NO	2-Pyrrolidinone	1A	C1
739	C4H7NO	Oxazole, 4,5-dihydro-2-methyl-	1A'	C1
740	CH3CH(CH3)ONO	Isopropyl nitrite	1A	C1
741	CH3CH(NH2)COOH	Alanine	1A	C1
742	CH3NHCH2COOH	Sarcosine	1A	C1
743	NH2CH2CH2COOH	β–alanine	1A	C1
744	NH2COOC2H5	Urethane	1A	C1
745	C5H8O	2H-Pyran, 3,4-dihydro-	1A	C1
746	C5H8O	Furan, 2,3-dihydro-5-methyl-	1A	C1
747	N(CH3)2CONH2	Urea, N,N-dimethyl-	1A	C1
748	NH2CONHC2H5	Urea, ethyl-	1A	C1
749	C4H8O2	1,3-Dioxolane, 2-methyl-	1A	C1
750	C4H8O2	1,4-Dioxane	1Ag	C2h
751	C4H8O2	Ethene, 1,1-dimethoxy-	1A1	C2v
752	C3H8O3	1,2,3-Propanetriol	1A	C1
753	C4H9NO	Butanamide	1A	C1
754	C4H9NO	Propanamide, 2-methyl-	1A	C1
755	C5H10O	2-Butanone, 3-methyl-	1A	C1
756	C5H10O	2H-Pyran, tetrahydro-	1A'	C1
757	C5H10O	3-Pentanone	1A1	C2v
758	C5H10O	Cyclopentanol	1A	C1
759	C5H10O	Oxetane, 3,3-dimethyl-	1A'	Cs
760	C5H10O	Pentanal	1A'	C1
761	C4H10O2	1,1-Dimethoxyethane	1A'	Cs
762	C4H10O2	1,3-Butanediol	1A	C1
763	C4H10O2	1,4-Butanediol	1Ag	C2h
764	C4H10O2	Ethane, 1,2-dimethoxy-	1Ag	C2h
765	C4H11NO	Diethylhydroxylamine	1A'	Cs
766	C5H12O	1-Butanol, 2-methyl-	1A	C1
767	C5H12O	1-Butanol, 3-methyl-	1A'	Cs
768	C5H12O	1-Pentanol	1A'	Cs
769	C5H12O	2-Butanol, 3-methyl-	1A	C1
770	C5H12O	3-Pentanol	1A	C1
771	C5H12O	Propane, 1-ethoxy-	1A'	Cs
772	C5H12O	Propane, 2-methoxy-2-methyl-	1A'	C1
773	CF3CN	Acetonitrile, trifluoro-	1A1	C3v
774	B2F4	Diboron tetrafluoride	1AG	D2h
775	B2Cl4	Diboron tetrachloride	1A1	D2
776	C2F4	Tetrafluoroethylene	1Ag	D2h
777	C2Cl4	Tetrachloroethylene	1Ag	D2h
778	CF3OF	Trifluoromethylhypofluorite	1A'	Cs
779	SiF5-	silicon pentafluoride anion
780	SOF4	Sulfur tetrafluoride oxide	1A1	C2v
781	PF5	Phosphorus pentafluoride	1A1'	D3h
782	PCl5	Phosphorus pentachloride	1A1'	C4v
783	ClF5	chlorinepentafluoride	1A1	C4v
784	CHCl2CHCl2	Ethane, 1,1,2,2-tetrachloro-
785	C6H5CH2	benzyl radical	2B1	Cs
786	C6H5CH3	toluene	1A'	Cs
787	C7H12	Norbornane	1A1	C2v
788	C7H16	2-methylhexane	1A	C1
789	C7H16	heptane	1A1	C2v
790	C6H5NH2	aniline	1A'	Cs
791	N2O5	Dinitrogen pentoxide	1A'	Cs
792	C6H5OH	phenol	1A'	Cs
793	C6H10O	cyclohexanone	1A'	Cs
794	PF6-	Hexafluorophosphate ion	1A1G	Oh
795	SF6	Sulfur Hexafluoride	1A1G	Oh
796	SF5Cl	sulfur chloropentafluoride	1A1	C4v
797	C6H5F	Fluorobenzene	1A1	C2v
798	C6H5CCH	phenylacetylene	1A1	C2v
799	C6H5CHCH2	Styrene	1A'	Cs
800	C8H8	cubane	1A1G	Oh
801	C8H8	cyclooctatetraene	1A1	D2d
802	C6H5CH2CH3	Ethylbenzene	1A'	Cs
803	C6H5CN	phenyl cyanide	1A1	C2v
804	S8	Octasulfur	1A1	D4d
805	C6H5CHO	benzaldehyde	1A'	Cs
806	C6H5OCH3	Anisole	1A'	Cs
807	Al2Cl6	Aluminum, di-μ-chlorotetrachlorodi-	1AG	D2h
808	C2F6	hexafluoroethane	1A1g	D3d
809	C2Cl6	hexachloroethane	1A1g	D3d
810	C6H5NO2	Nitrobenzene	1A1	C2v
811	C6H5COOH	benzoic acid	1A'	Cs
812	C10H8	naphthalene	1Ag	D2h
813	C10H16	adamantane	1A1	Td
814	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 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	Mg2	Magnesium diatomic	mg2
196	Ca2	Calcium diatomic	ca2
197	LiB	Lithium boride	lib
198	LiAl	Lithium Aluminum	lial
199	NaAl	Sodium aluminum	naal
200	BeB	Beryllium monoboride	beb
201	B2+	Boron diatomic cation	b2+
202	Al2	Aluminum diatomic	al2
203	Al2-	aluminum diatomic anion	al2-
204	Al2+	aluminum diatomic cation	al2+
205	BGa	Boron Gallium	bga
206	AlGa	Aluminum Gallium	alga
207	Ga2	Gallium diatomic	ga2
208	HBBH	Diborane(2)	hbbh
209	LiBH4	Lithium borohydride	libh4
210	B2H4	Diborane(4) D2d	b2h4
211	HBHHBH	Diborane(4) C2V	hbhhbh
212	B2H6+	Diborane cation	b2h6
213	Al2H6	dialane	al2h6
214	Ga2H6	digallane	ga2h6
215	LiC	Lithium Carbide	lic
216	BeC	Beryllium Carbide	bec
217	CaC	Calcium monocarbide	cac
218	BC	boron monocarbide	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 cation	nnh+
284	HPO+	Hydrogen phosphorus oxide cation	hpo+
285	LiNH2	lithium amide	linh2
286	HBNH	Boranimine	hbnh
287	CNH2	Aminomethylidyne radical	cnh2
288	CNH2+	N-protonated hydrogen isocyanide	cnh2+
289	H2CN	Dihydrogen cyanide radical	h2cn
290	H2CN+	hydrocyanonium cation	h2cn+
291	HCNH	methyleneazane	hcnh
292	HCNH+	N-protonated HCN	hcnh+
293	H2NN	Isodiazene	h2nn
294	N2H2	(Z)-Diazene	n2h2z
295	N2H2+	trans-diazene cation	n2h2+
296	CH2NH+	Methanimine cation	ch2nh+
297	CHNH2	aminomethylene	chnh2
298	CHNH2+	Aminocarbene cation	chnh2+
299	BH2NH2	Boranamine	bh2nh2
300	N2H4+	hydrazine cation	n2h4+
301	CH3NH2+	methyl amine cation	ch3nh2+
302	CH3PH2	Methyl phosphine	ch3ph2
303	SiH3NH2	Silane, amino	sih3nh2
304	N2H5+	protonated hydrazine	n2h5+
305	BH3NH3	borane ammonia	bh3nh3
306	CH3NH3	methyl ammonium radical	ch3nh3
307	CH3NH3+	protonated methylamine	ch3nh3+
308	CH3PH3+	methyl phosphine, protonated	ch3ph3+
309	NH3NH3	Ammonia Dimer	nh3nh3
310	N2H7+	ammonia ammonium dimer	n2h7+
311	LiS+	Lithium sulfide cation	lis+
312	KO	Potassium monoxide	ko
313	KO+	Potassium monoxide cation	ko+
314	NaS	Sodium sulfide	nas
315	CuO	Copper Monoxide	cuo
316	LiSe	Lithium monoselenide	lise
317	CaO	Calcium monoxide	cao
318	MgS-	magnesium sulfide anion	mgs-
319	MgS+	magnesium sulfide cation	mgs+
320	ZnO	zinc monoxide	zno
321	ZnS	Zinc sulfide	zns
322	BeS-	Beryllium monosulfide anion	bes-
323	BeS+	Beryllium monosulfide cation	bes+
324	AlO-	Aluminum monoxide anion	alo-
325	AlO+	aluminum monoxide cation	alo+
326	BS-	boron monosulfide anion	bs-
327	BS+	boron monosulfide cation	bs+
328	AlS-	aluminum monosulfide anion	als-
329	AlS+	aluminum monosulfide cation	als+
330	ScO	Scandium monoxide	sco
331	GaO	Gallium monoxide	gao
332	GaS	Gallium monosulfide	gas
333	CS-	carbon monosulfide anion	cs-
334	CS+	carbon monosulfide cation	cs+
335	SiO-	silicon monoxide anion	sio-
336	SiO+	silicon monoxide cation	sio+
337	SiS-	silicon monosulfide anion	sis-
338	SiS+	silicon monosulfide cation	sis+
339	TiO	Titanium monoxide	tio
340	CSe	Carbon monoselenide	cse
341	CSe-	Carbon monoselenide anion	cse-
342	CSe+	Carbon monoselenide cation	cse+
343	GeO+	Germanium monoxide cation	geo+
344	GeS	Germanium monosulfide	ges
345	SiSe+	Silicon Monoselenide cation	sise+
346	GeSe	Germanium monoselenide	gese
347	NS-	nitrogen sulfide anion	ns-
348	NS+	nitrogen sulfide cation	ns+
349	PO-	phosphorus monoxide anion	po-
350	PO+	phosphorus monoxide cation	po+
351	PS-	phosphorus monosulfide anion	ps-
352	PS+	phosphorus monosulfide cation	ps+
353	VO	Vanadium monoxide	vo
354	AsO	Arsenic monoxide	aso
355	NSe	Nitrogen monoselenide	nse
356	AsS	Arsenic monosulfide	ass
357	PSe	Phosphorus monoselenide	pse
358	AsSe	Arsenic monoselenide	asse
359	O2--	dioxygen dianion	o2--
360	SO-	sulfur monoxide anion	so-
361	S2-	sulfur diatomic anion	s2-
362	SeO	Selenium monoxide	seo
363	SeO-	selenium monoxide anion	seo-
364	SeO+	selenium monoxide cation	seo+
365	SeS	Selenium monosulfide	ses
366	SeS-	selenium monosulfide anion	ses-
367	SeS+	selenium monosulfide cation	ses+
368	TeO	Tellurium monoxide	teo
369	Se2-	selenium diatomic anion	se2-
370	Se2+	selenium diatomic cation	se2+
371	Te2	Tellurium diatomic	te2
372	KOH	Potassium hydroxide	koh
373	CaOH	Calcium monohydroxide	caoh
374	COH	Hydroxymethylidyne	coh
375	COH+	Carbon Monoxide, protonated	coh+
376	HCO-	formyl anion	hco-
377	HCO+	Formyl cation	hco+
378	HCS-	Thioformyl anion	hcs-
379	HCS+	Thioformyl cation	hcs+
380	HNO-	Nitrosyl hydride anion	hno-
381	HNO+	Nitrosyl hydride cation	hno+
382	NOH	Hydroxyimidogen	noh
383	NOH+	O-protonated nitric oxide	noh+
384	HNS	Sulfur imide	hns
385	HNS-	Sulfur imide anion	hns-
386	HO2-	Hydroperoxy anion	ho2-
387	HO2+	Hydroperoxy cation	ho2+
388	HS2	Thiosulfeno radical	hs2
389	H2CO-	formaldehyde anion	h2co-
390	HOCH	hydroxycarbene	hoch
391	H2CS-	thioformaldehyde anion	h2cs-
392	H2CS+	thioformaldehyde cation	h2cs+
393	H2NO	nitroxide	h2no
394	H2O2+	Hydrogen peroxide cation	h2o2+
395	H2OO	water oxide	h2oo
396	HOSH	hydrogen thioperoxide	hosh
397	H2Se2	hydrogen diselenide	h2se2
398	CH3O-	methoxy anion	ch3o-
399	CH3O+	Methoxy cation	ch3o+
400	NH2OH+	Hydroxylamine cation	nh2oh+
401	NH3O	Ammonia Oxide	nh3o
402	NH2SH	Thiohydroxylamine	nh2sh
403	NH3S	sulfidoazane	nh3s
404	H3O2+	hydrogen peroxide, protonated	h3o2+
405	CH3OH-	Methyl alcohol anion	ch3oh-
406	CH3OH+	Methyl alcohol cation	ch3oh+
407	CH3SH+	Methanethiol cation	ch3sh+
408	SiH3OH	silanol	sih3oh
409	CH3SeH	Methane selenol	ch3seh
410	NH2OH2+	protonated hydroxylamine	nh2oh2+
411	NH3OH+	N-protonated hydroxylamine	nh3oh+
412	H2OH2O	water dimer	h2oh2o
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	BO2-	Boron dioxide anion	bo2-
602	BO2+	Boron dioxide cation	bo2+
603	N2O-	Nitrous oxide anion	n2o-
604	N2O+	Nitrous oxide cation	n2o+
605	PPO	Phosphorus oxide phosphide	ppo
606	CO2-	Carbon dioxide anion	co2-
607	CO2+	Carbon dioxide cation	co2+
608	OCS+	Carbonyl sulfide cation	cos+
609	CS2-	Carbon disulfide anion	cs2-
610	CS2+	Carbon disulfide cation	cs2+
611	TiO2	Titanium dioxide	tio2
612	GeO2	Germanium dioxide	geo2
613	OCSe	Carbonyl selenide	ocse
614	SCSe	Carbon sulfide selenide	scse
615	GeS2	Germanium disulfide	ges2
616	CSe2	Carbon diselenide	cse2
617	SCTe	Carbon sulfide Telluride	scte
618	NO2-	Nitrogen dioxide anion	no2-
619	NO2+	Nitrogen dioxide cation	no2+
620	PO2-	Phosphorus dioxide anion	po2-
621	PO2+	Phosphorus dioxide cation	po2+
622	AsO2	Aresenic dioxide	aso2
623	O3-	Ozone anion	o3-
624	O3+	Ozone cation	o3+
625	SO2-	Sulfur dioxide anion	so2-
626	SO2+	Sulfur dioxide cation	so2+
627	S3-	Sulfur trimer anion	s3-
628	SeO2	Selenium dioxide	seo2
629	SeO2+	Selenium dioxide cation	seo2+
630	TeO2	Tellurium Dioxide	teo2
631	CS2H+	Carbon disulfide, protonated	cs2h+
632	HNCS	Isothiocyanic acid	hncs
633	HSCN	thiocyanic acid	hscn
634	HNNO	nitrosoazane	hnno
635	HNNO+	Nitrous oxide, N-protonated	hnno+
636	NNOH+	Nitrous Oxide, O-protonated	nnoh+
637	HCOO	formate neutral radical	hcoo
638	HOCO+	Hydrocarboxyl cation	hoco+
639	HNO2+	nitrous acid cation	hno2+
640	O3H+	protonated ozone	o3h+
641	SO2H+	protonated sulfur dioxide	so2h+
642	C2H2O	Oxirene	oxirene
643	CH2CO+	Ketene cation	ch2co+
644	Be(OH)2	Beryllium hydroxide	beo2h2
645	Mg(OH)2	Magnesium dihydroxide	h2mgo2
646	NH2NO	Nitrosamide	nh2no
647	H2COO	Dioxymethyl radical	h2coo
648	H2COO+	dioxymethyl cation	h2coo+
649	H2O3	Hydrogen trioxide	h2o3
650	NaOCH3	Sodium methoxide	naoch3
651	CH2BOH	hydroxy(methylene)borane	ch2boh
652	BH3CO	Borane carbonyl	bh3co
653	CH3BO	Borane, methyloxo-	ch3bo
654	CH2CHO	Vinyloxy radical	ch2cho
655	CH2COH+	ketene, protonated	ch2coh+
656	CH3CO-	Acetyl anion	ch3co-
657	CH3CO+	acetyl cation	ch3co+
658	CH2NOH	formaldoxime	ch2noh
659	CH3NO	nitrosomethane	ch3no
660	CNOH3	1,2-oxaziridine	cnoh3
661	HOCHNH	hydroxymethylimine	hochnh
662	CHSNH2	thioformamide	chsnh2
663	NHCHSH	Methanimidothioic acid	nhchsh
664	CH2OOH	CH2OOH radical	ch2ooh
665	CH3OO-	methylperoxy anion	ch3oo-
666	CH3OO+	methylperoxy cation	ch3oo+
667	C2H4O+	ethylene oxide cation	c2h4o+
668	CH3CHO+	acetaldehyde cation	ch3cho+
669	H2COCH2+	Methyl, (methyleneoxoniumyl)-	h2coch2+
670	CH2CHSH	Ethenethiol	ch2chsh
671	H2CONH2+	protonated formamide	h2conh2+
672	NH2CHOH+	Formamide, O-protonated	nh2choh+
673	NH3CHO+	Formamide, N-Protonated	nh3cho+
674	CH2(OH)2	methanediol	ch2o2h2
675	HSCH2SH	Methanedithiol	ch4s2
676	H2OH2CO	water formaldehyde dimer	h2oh2co
677	C2H4OH+	ethylene oxide, protonated	c2h4oh+
678	CH2CH2OH	2-hydroxy ethyl radical	ch2ch2oh
679	CH3CH2O	Ethoxy radical	ethoxy
680	CH3CHOH	1-hydroxy-ethyl radical	ch3choh
681	CH3CHOH+	acetaldehyde, protonated	ch3choh+
682	CH3OCH2	methoxymethyl radical	ch3och2
683	NH2CH2OH	aminomethanol	nh2ch2oh
684	CH3SCH3+	dimethyl sulfide cation	mesme+
685	CH3SeCH3	dimethylselenide	dmse
686	CH3OHH2O	methanol water dimer	ch3ohh2o
687	H2OCH3OH	water methanol dimer	h2och3oh
688	CuF2	Copper difluoride	cuf2
689	ZnF2	Zinc difluoride	znf2
690	CNF	iso cyanogen fluoride	cnf
691	BrCN	Cyanogen bromide	brcn
692	ICN	Cyanogen iodide	icn
693	FBO	Boron monofluoride monoxide	fbo
694	BeF2	Beryllium fluoride	bef2
695	MgF2	Magnesium fluoride	mgf2
696	BeCl2	Beryllium chloride	becl2
697	CaCl2	Calcium Chloride	cacl2
698	ZnCl2	Zinc dichloride	zncl2
699	BeBr2	Beryllium bromide	bebr2
700	CaBr2	Calcium dibromide	cabr2
701	CaF2	Calcium difluoride	caf2
702	FCO	Carbonyl fluoride	fco
703	FCO+	Carbonyl fluoride cation	fco+
704	ClCO	carbonyl monochloride	clco
705	BF2	Boron difluoride radical	bf2
706	BrNO	Nitrosyl bromide	brno
707	INO	Nitrosyl iodide	ino
708	CF2-	Difluoromethylene anion	cf2-
709	CF2+	Difluoromethylene cation	cf2+
710	CFCl	chlorofluoromethylene	cfcl
711	SiF2	Silicon difluoride	sif2
712	SiF2+	Silicon difluoride cation	sif2+
713	CCl2-	dichloromethylene anion	ccl2-
714	CCl2+	dichloromethylene cation	ccl2+
715	GeF2	Germanium difluoride	gef2
716	CBr2	dibromomethylene	cbr2
717	FOO+	Fluorine dioxide cation	foo+
718	ClOO+	chloroperoxy cation	cloo+
719	OClO-	Chlorine dioxide anion	oclo-
720	OClO+	Chlorine dioxide cation	oclo+
721	ClSO	Sulfur chloride oxide	clso
722	BrOO	Bromine dioxide	broo
723	OBrO	Bromine dioxide radical	obro
724	NF2+	Difluoroamino cation	nf2+
725	PF2	Phosphorus difluoride	pf2
726	PF2+	Phosphorus difluoride cation	pf2+
727	SF2-	sulfur difluoride anion	sf2-
728	SF2+	sulfur difluoride cation	sf2+
729	SeF2	Selenium difluoride	sef2
730	BrOCl	Bromine hypochlorite	brocl
731	BrOBr	Bromine oxide	brobr
732	F3-	trifluoride anion	f3-
733	Cl3-	trichloride anion	cl3-
734	Br3-	tribromide anion	br3-
735	I3-	triiodide	i3-
736	SFCl	Sulfur chloride fluoride	sfcl
737	HCCF+	fluoroacetylene cation	hccf+
738	HCCCl	Chloroacetylene	hcccl
739	HCCBr	bromoacetylene	hccbr
740	HFCO+	formyl fluoride cation	hfco+
741	COHCl	Formyl chloride	cohcl
742	COHBr	Formyl bromide	cohbr
743	CHCl2	dichloromethyl radical	chcl2
744	CHF2	difluoromethyl radical	chf2
745	CHF2+	difluoromethyl cation	chf2+
746	CHFCl	Chlorofluoromethyl radical	chfcl
747	CHFCl+	Chlorofluoromethyl cation	chfcl+
748	CHCl2+	dichloromethyl cation	chcl2+
749	CHBr2	dibromomethyl radical	chbr2
750	HOClO	Chlorous acid	hoclo
751	NHF2	difluoramine	nhf2
752	NHCl2	dichloroamine	nhcl2
753	SiH2F2	difluorosilane	sih2f2
754	CH2BrF	Methane, bromofluoro-	ch2fbr
755	CH2BrCl	Methane, bromochloro-	ch2clbr
756	CH2FI	fluoroiodomethane	ch2fi
757	CH2Br2	dibromomethane	ch2br2
758	CH2ClI	chloroiodomethane	ch2cli
759	CH2BrI	bromoiodomethane	ch2bri
760	CH2I2	Diiodomethane	ch2i2
761	CH3MgBr	Methyl Magnesium Bromide	ch3mgbr
762	CH2CHF+	fluoroethene cation	ch2chf+
763	C2H3Br	vinyl bromide	c2h3br
764	C2H3I	Vinyl iodide	c2h3i
765	CH2FOH	fluoromethanol	ch2foh
766	CH3OCl	methyl hypochlorite	ch3ocl
767	CH2CH2Cl	2-chloroethyl radical	ch2ch2cl
768	CHClCH3	1-chloroethyl radical	chclch3
769	CH3CH2Cl	Ethyl chloride	c2h5cl
770	CH3SiFH2	fluoromethylsilane	ch3sifh2
771	C2H5Br	Ethyl bromide	etbr
772	C2H5I	Ethyl iodide	c2h5i
773	KrF2	Krypton difluoride	krf2
774	XeF2	Xenon difluoride	xef2
775	B4H10	Tetraborane(10)	b4h10
776	C4+	Carbon tetramer cation	c4+
777	C4H2+	diacetlyene cation	c4h2+
778	C4H4	cyclobutadiene	cbd
779	C4H4	Tetrahedrane	c4h4
780	CHCCH2CH3	1-Butyne	c107006
781	CH3CHCHCH2	methylallyl radical	c4h7
782	C4H8	methylcyclopropane	mcp
783	CH2CHCH2CH3	1-Butene	bute1
784	B(CH3)3	trimethylborane	bme3
785	Al(CH3)3	trimethyl aluminum	tma
786	Li3N	trilithium nitride	li3n
787	C2N2+	Cyanogen cation	c2n2+
788	As4	Arsenic tetramer	as4
789	HCCCN+	Cyanoacetylene cation	hcccn+
790	H2CNCN	cyanamide, methylene	ch2ncn
791	HNCCNH	Ethenediimine	hnccnh
792	C3H3N+	acrylonitrile cation	ch2chcn+
793	CH3N3	methyl azide	ch3n3
794	NH2CCNH2	Diaminoacetylene	daa
795	NH2CH2CN	Aminoacetonitrile	aan
796	CH3NHN2+	methyl azide, protonated	ch3nhn2+
797	C2H5CN	ethyl cyanide	c2h5cn
798	CH5N3	Guanidine	guanidine
799	C4H6	Bicyclo[1.1.0]butane	c157335
800	CH3NNCH3	(Z)-1,2-Dimethyldiazene	dmdiazz
801	H2NCHCHNH2	diaminoethylene	dae
802	CH6N3+	guanidinium	ch6n3+
803	CH7N3	triaminomethane	tam
804	C3H7N	Azetidine	azet
805	CH3NHNHCH3	dimethyl hydrazine	dmh
806	NH2CH2CH2CH3	1-Propanamine	pram1
807	P(CH3)3	trimethylphosphine	tmp
808	N(SiH3)3	trisilylamine	tsa
809	As(CH3)3	trimethyl arsine	tmas
810	(CH3)3NH+	protonated trimethyl amine	ptma
811	C3H7NH3+	n-propylamine, protonated	c3h7nh2
812	Li2O2	dilithium dioxide	li2o2
813	Na2O2	disodium dioxide	na2o2
814	K2O2	dipotassium dioxide	k2o2
815	C3O	Tricarbon monoxide	c3o
816	ONNO	NO dimer	onno
817	CO3	Carbon trioxide	co3
818	NO3-	nitrate anion	no3-
819	NO3+	nitrogen trioxide cation	no3+
820	SO3-	Sulfur trioxide anion	so3-
821	SO3--	Sulfate dianion	so3--
822	SO3+	Sulfur trioxide cation	so3+
823	SeO3	selenium trioxide	seo3
824	TeO3	Tellurium trioxide	teo3
825	HCO3-	bicarbonate anion	hco3-
826	HSO3	Hydroxysulfonyl radical	hso3
827	NH2NO2	nitramide	nh2no2
828	C2H2CO	cyclopropenone	c2h2co
829	C3H2O	Propadienal	c3h2o
830	HCCCHO	2-propynal	hcccho
831	C2H2O2+	Ethanedial cation	c2h2o2+
832	H2CO3	Carbonic acid	h2co3
833	H2CS3	thiocarbonic acid	h2cs3
834	H2NO3+	Nitric Acid, Protonated	h2no3+
835	H2SO3	Sulfurous acid	h2so3
836	C2H3NO	Nitrosoethylene	c2h3no
837	CH3NCO	methylisocyante	ch3nco
838	HOCH2CN	cyanomethanol	hoch2cn
839	CH3NO2	Methane, nitro-	ch3no2
840	NH2COOH	Carbamic acid	nh2cooh
841	H3BO3	Boric acid	h3bo3
842	H3CO3+	carbonic acid, protonated	h3co3+
843	C3H4O	2-Propyn-1-ol	c107197
844	C3H4O	Methylketene	c6004440
845	NH2CONH2+	Urea cation	urea+
846	C2H4O2	1,3-dioxetane	c2h4o2
847	NH2COOH2+	Carbamic acid, O-protonated	nh2cooh2+
848	NH3COOH+	protonated Carbamic acid	nh3cooh+
849	H2OHCOOH	Water formic acid dimer 1	h2ohcooh_10
850	H2OHCOOH	Water formic acid dimer 2	h2ohcooh_11
851	HCOOHH2O	Formic acid water dimer	hcoohh2o
852	HOCH2OOH	hydroxy methyl peroxide	hoch2ooh
853	CH3COCH2	Acetonyl radical	ch3coch2
854	CH2C(OH)NH2	1-amino vinyl alchohol	ava
855	CH3C(OH)=NH	Ethaninidic acid	eia
856	HCONHCH3	N-methylformamide	nmfa
857	CH5N2O+	urea, N-protonated	ch4n2o+
858	H2NCOHNH2+	urea, protonated	ureah+
859	C2H5OO	ethylperoxy radical	c2h5oo
860	CH3NNCH3	(E)-1,2-Dimethyldiazene	dmdiaze
861	C3H5OH	Cyclopropanol	cproh
862	C3H6O	2-Propen-1-ol	c107186
863	C3H6O	Acetone enol	enol
864	C3H6O	Oxetane	oxetane
865	CH3COCH3-	acetone anion	ch3coch3-
866	C3H6S	Thiirane, methyl-	methiirane
867	CH3CSCH3	Thioacetone	ch3csch3
868	CH3OOCH3	dimethylperoxide	dmp
869	CH3SOCH3	Dimethyl sulfoxide	dmso
870	CH2SHCH2SH	1,2-Ethanedithiol	ethdisl
871	CH3COHCH3+	acetone, protonated	acetoneh+
872	HOCH2CH2NH2	monoethanolamine	mea
873	C3H7SH	1-Propanethiol	prsh
874	CH3CHSHCH3	2-Propanethiol	isoprsh
875	CH3SCH2CH3	Ethane, (methylthio)-	etsme
876	H2OCH3OCH3	water dimethylether dimer	h2och3och3
877	Li2F2	Lithium fluoride dimer	li2f2
878	Na2F2	Sodium Fluoride Dimer	na2f2
879	Na2Cl2	Disodium dichloride	na2cl2
880	C2Cl2+	dichloroacetylene cation	c2cl2+
881	FNO2	Nitryl fluoride	fno2
882	FONO	Nitrosyl hypofluorite	fono
883	ClONO	chlorine nitrite	clono
884	BrONO	Bromine nitrite	brono
885	CF2O+	Carbonic difluoride cation	f2co+
886	COFCl	Carbonic chloride fluoride	cofcl
887	COBr2	Carbonic dibromide	cobr2
888	BF3-	Borane, trifluoro- anion	bf3-
889	BF3+	boron trifluoride cation	bf3+
890	BClF2	Chlorodifluoroborane	bclf2
891	ScF3	Scandium trifluoride	ScF3
892	BCl3+	Boron Trichloride cation	bcl3+
893	GaF3	Gallium trifluoride	gaf3
894	GaCl3	Gallium trichloride	gacl3
895	BBr3	Boron tribromide	bbr3
896	AlBr3	Aluminum Bromide	albr3
897	ClO3	Chlorine trioxide	clo3
898	BrO3-	Bromate anion	bro3-
899	CF3-	Trifluoromethyl anion	cf3-
900	CF3+	Trifluoromethyl cation	cf3+
901	CF2Cl	difluorochloromethyl radical	cf2cl
902	SiF3+	Silicon trifluoride cation	sif3+
903	CFCl2	dichlorofluoromethyl radical	cfcl2
904	CCl3	Trichloromethyl radical	ccl3
905	CCl3-	Trichloromethyl anion	ccl3-
906	CCl3+	Trichloromethyl cation	ccl3+
907	CBr3	tribromomethyl radical	cbr3
908	FOOF	Perfluoroperoxide	foof
909	ClOOCl	Dichlorine dioxide	cloocl
910	SeOCl2	selenium oxychloride	seocl2
911	NF3-	Nitrogen trifluoride anion	nf3-
912	NF3+	Nitrogen trifluoride cation	nf3+
913	AsF3	Arsenic trifluoride	asf3
914	SbF3	Antimony Trifluoride	sbf3
915	AsCl3	Arsenous trichloride	ascl3
916	SbCl3	Antimony Trichloride	sbcl3
917	NBr3	Nitrogen Tribromide	nbr3
918	PBr3	Phosphorus tribromide	pbr3
919	AsBr3	Arsenic tribromide	asbr3
920	NI3	Nitrogen triiodide	ni3
921	PI3	Phosphorus triiodide	pi3
922	BrF3	Bromine trifluoride	brf3
923	IF3	iodone trifluoride	if3
924	SiHF3	trifluorosilane	sihf3
925	CDCl3	trichloromethane-d	cdcl3
926	CHBrF2	Methane, bromodifluoro-	chbrf2
927	CHFClBr	fluorochlorobromomethane	chfclbr
928	CHBrCl2	Methane, bromodichloro-	chbrcl2
929	CHF2I	difluoroiodomethane	chf2i
930	CHBr2F	dibromofluoromethane	chbr2f
931	CHFClI	fluorochloroiodomethane	chfcli
932	CHCl2I	dichloroiodomethane	chcl2i
933	CHClBr2	Methane, dibromochloro-	chclbr2
934	CHBr3	bromoform	chbr3
935	CHI3	Iodoform	chi3
936	NF3H+	protonated nitrogen trifluoride	nf3h+
937	AsF3H+	Arsenic trifluoride, protonated	asf3h+
938	C2H2F2	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
939	C2H2ClF	1-chloro-1-fluoroethylene	c2h2clf
940	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
941	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
942	C2H2Br2	1,1-dibromoethene	c2h2br2
943	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
944	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
945	CH2FCHO	Fluoroacetaldehyde	ch2fcho
946	CH2ClCHO	chloroacetaldehyde	ch2clcho
947	C2H4F2	1,2-difluoroethane	c2h4f2
948	CH2FCH2Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
949	CH3CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
950	CH2ClCH2Cl	Ethane, 1,2-dichloro-	ch2clch2cl
951	CH3CHCl2	Ethane, 1,1-dichloro-	ch3chcl2
952	CH2BrCH2Cl	1-bromo-2-chloroethane	ch2brch2cl
953	CH2BrCH2Br	Ethane, 1,2-dibromo-	ch2brch2br
954	CH2CFCH3	2-fluoropropene	2fpro
955	CH2CHCH2F	Allyl Fluoride	allylf
956	CH3CHCHF	trans-1-Fluoro-1-propene	propene1ft
957	C3H5Cl	1-Propene, 3-chloro-	prop1cl3
958	C3H5Cl	1-chloro-1-propene(E)	prop1cl1e
959	C3H5Cl	1-chloro-1-propene(Z)	prop1cl1z
960	CH2FCH2OH	2-fluoroethanol	ch2fch2oh
961	CH2ClCH2OH	2-Chloroethanol	ch2clch2oh
962	CH2ClCH2OH2+	2-chloroethanol, protonated	ch2clch2oh2+
963	CH2FCH2CH3	1-Fluoropropane	prf1
964	CH3CHFCH3	2-Fluoropropane	prf2
965	CH2ClCH2CH3	Propane, 1-chloro-	prcl1
966	CH3CHClCH3	Propane, 2-chloro-	prcl2
967	CH3CH2CH2Br	n-propyl bromide	prbr
968	CH3CHBrCH3	i-propyl bromide	iprbr
969	C3H9O+	trimethyl oxonium cation	c3h9o+
970	B5H9	pentaborane9	b5h9
971	C5H4	pentatetraene	ptrene
972	C5H5	cyclopentadienyl radical	c5h5
973	C5H6	Propellane	propellane
974	C5H7	1,3-pentadienyl radical	pdyl
975	C5H7	cyclopentenyl radical	cpyl
976	C5H8	1-pentyne	a1pentyne
977	C5H8	Bicyclo[1.1.1]pentane	bcp
978	C5H8	Ethenylcyclopropane	c693867
979	CH3CCCH2CH3	2-Pentyne	2pentyne
980	CH2N4	1H-Tetrazole	1htz
981	C3H3N2	imidazolyl radical	im
982	C3H3N2-	imidizolyl anion	im-
983	C2H3N3	1H-1,2,4-Triazole	c288880
984	C4H4N	pyrrolide radical	c4h4n
985	C4H4N-	pyrrolide anion	c4h4n-
986	C3H4N2	2H-Imidazole	imid2h
987	C3H4N2	4H-Imidazole	imid4h
988	C4H5N	2H-pyrrole	pyrrole2
989	C4H5N	3H-pyrrole	pyrrole3
990	CH2CHCH2CN	Allylcyanide	ch2chch2cn
991	C4H6N+	pyrrole, alpha-protonated	appyr
992	C4H6N+	pyrrole, beta-protonated	bppyr
993	C4H6N+	pyrrole, protonated	ppyr
994	CH3CH(CH3)CN	Propanenitrile, 2-methyl-	c4h7n
995	CH3CH2CH2CN	Butanenitrile	c109740
996	NH(C2H5)2	diethylamine	dea
997	NC4H12+	tetramethyl ammonium cation	nc4h12+
998	C3O2+	Carbon suboxide cation	c3o2+
999	B2O3	diboron trioxide	b2o3
1000	MgCO3	Magnesium Carbonate	mgco3
1001	BeCO3	Beryllium Carbonate	beco3
1002	CaCO3	Calcium Carbonate	caco3
1003	ONONO	Nitrosyl nitrite	onono
1004	HOONO2	peroxy nitric acid	hoono2
1005	HSO4-	bisulfate anion	hso4-
1006	C2H2N2S	1,3,4-Thiadiazole	c2h2n2s
1007	C3H2O2	Propiolic acid	c3h2o2
1008	CHOCOOH	oxo acetic acid	oaa
1009	CHOOCHO	diformyl ether	choocho
1010	H2SeO4	Selenic acid	h2seo4
1011	C3H3NO	Oxazole	oxazole
1012	C3H3NS	Thiazole	thiazole
1013	CH3C(O)OO	acetyl peroxy radical	ch3coo2
1014	H3PO4	Phosphoric Acid	h3po4
1015	C4H4O+	Furan cation	furan+
1016	CH3COCCH	3-butyn-2-one	c1423605
1017	C4H4Se	selenophene	c4h4se
1018	C3H4O2	Methyl glyoxal	megly
1019	HOCHCCHOH	allenediol	aldiol
1020	C2H4O3	1,2,3-trioxolane	c2h4o3
1021	C2H4O3	trioxolane124	triox
1022	HOCH2COOH	Hydroxyacetic acid	hac
1023	CH5N3S	Hydrazinecarbothioamide	c79196
1024	CH3SO2NH2	methanesulfonamide	ch3so2nh2
1025	C4H6S	Thiophene, 2,3-dihydro-	thiop23h
1026	C4H6S	Thiophene, 2,5-dihydro-	thiop25h
1027	CH2CHSCHCH2	Divinyl sulfide	divis
1028	CH3CH2COOH	Propanoic Acid	propanoic
1029	HCOOC2H5	Ethyl formate	faee
1030	CH3SSSCH3	dimethyl trisulfide	c2h6s3
1031	C3H7NO	dimethylformamide	dmf
1032	C4H8O	Furan, tetrahydro-	thf
1033	C4H8S	Thiophene, tetrahydro-	tht
1034	C3H8S2	1,3-Propanedithiol	c109808
1035	C4H10O	1-Butanol	butanol1
1036	C4H10O	Methyl propyl ether	meopr
1037	C4H10O+	1-Butanol cation	butanol1+
1038	C(CH3)3SH	2-Propanethiol, 2-methyl-	tbush
1039	C2H5SC2H5	Diethyl sulfide	etset
1040	C4H9SH	1-Butanethiol	bush
1041	CH2(SH)CH(CH3)CH3	1-Propanethiol, 2-methyl-	c513440
1042	CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	mesipr
1043	CH3CH(SH)CH2CH3	2-Butanethiol	butansl2
1044	ClONO2	Chlorine nitrate	clono2
1045	BrONO2	Bromine nitrate	brono2
1046	TiCl4	Titanium tetrachloride	ticl4
1047	SO2F2	Sulfuryl fluoride	so2f2
1048	TiF4	Titanium tetrafluoride	tif4
1049	CF3Br	Bromotrifluoromethane	cf3br
1050	GeF4	Germanium tetrafluoride	gef4
1051	CCl4+	Carbon tetrachloride cation	ccl4+
1052	CBrClF2	Methane, bromochlorodifluoro-	cbrclf2
1053	CBrCl2F	bromodichlorofluoromethane	cbrcl2f
1054	CF3I	trifluoroiodomethane	cf3i
1055	CBrCl3	Methane, bromotrichloro-	cbrcl3
1056	CBr2F2	Methane, dibromodifluoro-	cbr2f2
1057	GeCl4	Germanium Tetrachloride	gecl4
1058	CBr2ClF	dibromochlorofluoromethane	cbr2clf
1059	CBr2Cl2	dibromodichloromethane	cbr2cl2
1060	CCl3I	trichloroiodomethane	ccl3i
1061	CFBr3	fluorotribromomethane	cfbr3
1062	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1063	CBr3Cl	tribromochloromethane	cbr3cl
1064	CF2I2	difluorodiiodomethane	cf2i2
1065	CBr4	Carbon tetrabromide	cbr4
1066	CCl2I2	dichlorodiiodomethane	ccl2i2
1067	SiBr4	Silicon tetrabromide	sibr4
1068	CBr3I	tribromoiododmethane	cbr3i
1069	GeBr4	Germanium tetrabromide	gebr4
1070	CI4	tetraiodomethane	ci4
1071	SiI4	silicon tetraiodide	sii4
1072	ClOF3	Chlorine trifluoride oxide	clof3
1073	SeF4	Selenium tetrafluoride	sef4
1074	SCl4	Sulfur tetrachloride	scl4
1075	C2HF3+	Trifluoroethylene cation	c2hf3+
1076	CHBrCF2	1-Bromo-2,2-difluoroethylene	chbrcf2
1077	HSO3F	Fluorosulfonic acid	hso3f
1078	CF3OH	trifluoromethanol	cf3oh
1079	CH2ClCCCl	1,3-dichloropropyne	ch2clcccl
1080	CHClCCHCl	1,3-dichloroallene	chclcchcl
1081	CHCl2CCH	3,3-dichloropropyne	chcl2cch
1082	CHCl2CHO	dichloroacetaldehyde	chcl2cho
1083	PF3CH2	phosphorane, trifluoromethylene-	pf3ch2
1084	CHF2CH2F	Ethane, 1,1,2-trifluoro	ch2fchf2
1085	CH3CF2Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1086	CH3CFCl2	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1087	SiCl3CH3	methyltrichlorosilane	sicl3ch3
1088	CH3CBr3	1,1,1-tribromoethane	ch3cbr3
1089	NH3BCl3	Amminetrichloroboron	nh3bcl3
1090	CH2CClCHCH2	1,3-Butadiene, 2-chloro-	c4h5cl
1091	C3H5ClO	Oxirane, (chloromethyl)-	c106898
1092	CH2FCH2CH2F	1,3-difluoropropane	ch2fch2ch2f
1093	CH3CF2CH3	2,2-difluoropropane	ch3cf2ch3
1094	CH2ClCH2CH2Cl	1,3-dichloropropane	prdicl13
1095	CH2ClCHClCH3	Propane, 1,2-dichloro-	prdicl12
1096	CH3CCl2CH3	Propane, 2,2-dichloro-	prdicl22
1097	CHCl2CH2CH3	1,1-dichloropropane	prdicl11
1098	SiCl2(CH3)2	dichlorodimethylsilane	sicl2me2
1099	CH2CClCH2CH3	1-Butene, 2-chloro-	bute1cl2
1100	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	bute1cl4
1101	CH2CHCHClCH3	1-Butene, 3-chloro-	bute1cl3
1102	CH2ClCHCHCH3	2-Butene, 1-chloro-	bute2cl1
1103	CH3CClCHCH3	2-Butene, 2-chloro-, (E)-	bute2cl2e
1104	CH3CClCHCH3	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1105	CHClCHCH2CH3	(E)-1-Chloro-1-butene	bute1cl1
1106	CHClCHCH2CH3	(Z)-1-Chloro-1-butene	bute1cl1z
1107	C4H9F	1-fluorobutane	butaf1
1108	CH3CHFCH2CH3	2-fluorobutane	butaf2
1109	CH2ClCH2CH2CH3	Butane, 1-chloro-	butacl1
1110	CH3CCl(CH3)CH3	Propane, 2-chloro-2-methyl-	procl2me2
1111	CH3CHClCH2CH3	Butane, 2-chloro-	butacl2
1112	XeF4	Xenon tetrafluoride	xef4
1113	C2H2N2O	Furazan	furazan
1114	CF3PH2	phosphine, (trifluoromethyl)-	cf3ph2
1115	NH3BF3	Amminetrifluoroboron	nh3bf3
1116	C6H2	hexatriyne	c6h2
1117	C6H4	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1118	C6H4	Benzyne	benzyne
1119	C6H5-	phenyl anion	phenyl-
1120	C6H6	Prismane	prismane
1121	C6H6	1,2,4,5-Hexatetraene	ht1245
1122	C6H6	3,4-Dimethylenecyclobutene	cb34m
1123	C6H6	Benzvalene	bv
1124	C6H6	Dewar Benzene	dewar
1125	C6H6	Hexa-1,5-diene-3-yne	hdy153
1126	C6H6	Trimethylenecycopropane	tmcp
1127	C6H6+	Benzene cation	c6h6+
1128	C6H7+	benzene, protonated	c6h7+
1129	C6H8	(Z)-hexa-1,3,5-triene	hexatri135
1130	C6H8	1,3-Cyclohexadiene	cyhexadiene13
1131	C6H10	1,3-Hexadiene, (E)-	hexdi13e
1132	C6H10	1,3-Hexadiene, (Z)-	hexdi13z
1133	C6H10	1,4-Hexadiene, (E)-	hexdi14t
1134	C6H10	1,4-Hexadiene, (Z)-	hexdi14z
1135	C6H10	1,5-Hexadiene	c592427
1136	C6H10	1-Hexyne	hexyne1
1137	C6H10	2,4-Hexadiene, (E,E)-	hexdi24ee
1138	C6H10	2,4-Hexadiene, (E,Z)-	hexdi24ez
1139	C6H10	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1140	C6H10	3-Hexyne	hexyne3
1141	C4H6(CH3)2	1,1-dimethylcyclobutane	dmcb11
1142	C6H12	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1143	C6H12	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1144	C6H12	(E)-2-Hexene	e2hexene
1145	C6H12	(E)-hex-3-ene	e3hexene
1146	C6H12	(Z)-hex-2-ene	z2hexene
1147	C6H12	(Z)-hex-3-ene	z3hexene
1148	C6H12	2,3-dimethylbut-1-ene	c563780
1149	C6H12	2,3-dimethyl-but-2-ene	tmeet
1150	C6H12	cis-1,2-dimethylcyclobutane	dmcb12c
1151	C6H12	cis-1,3-dimethylcyclobutane	dmcb13c
1152	C6H12	hex-1-ene	hexene1
1153	C6H14	Pentane, 2-methyl-	penta2
1154	C6H14	Pentane, 3-methyl-	penta3
1155	N3P3	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1156	C4H2N2	Fumaronitrile	c4h2n2
1157	C2H2N4	sym-tetrazine	ttz
1158	C5H5N	E-2,4-pentadienenitrile	bdcn
1159	B3N3H6	borazine	borazine
1160	C5H6N+	Pyridinium	c5h6n
1161	C5H7N	1H-Pyrrole, 1-methyl-	c96548
1162	C6H10	Bicyclo[3.1.0]hexane	c285585
1163	Li2CO3	Lithium Carbonate	li2co3
1164	Na2CO3	Sodium Carbonate	na2co3
1165	C2O4--	oxalate anion	c2o4
1166	MgSO4	Magnesium Sulfate	mgso4
1167	N2O4	Dinitrogen tetroxide	n2o4
1168	C3H2O3	vinylene carbonate	vica
1169	C2H2O4	Oxalic Acid	oxalic
1170	C4H4O2	2(5H)-Furanone	furanone
1171	C2H4N2S2	Ethanedithioamide	c79403
1172	C2H4CO3	Ethylene carbonate	etco3
1173	C3H4O2S	2H-Thiete-1,1-dioxide	c7285327
1174	C3H4S3	1,3-Dithiolane-2-thione	c822388
1175	C2H4O4	Formic acid dimer	fadimer
1176	C4H5NO	3-Methylisoxazole	isox3m
1177	C4H5NS	4-Methylthiazole	c693958
1178	C2H5NO3	Nitric acid, ethyl ester	c625581
1179	C5H6O	2H-Pyran	pyran2
1180	C5H6O	2-methylfuran	furan2m
1181	C5H6O	3-Methylfuran	furan3m
1182	C5H6O	Pentadienal	pdal
1183	C5H6S	Thiophene, 2-methyl-	c554143
1184	C5H6S	Thiophene, 3-methyl-	c616444
1185	C4H6O2	γ–Butyrolactone	c96480
1186	C4H6O2	2,3-Butanedione	c431038
1187	C4H6O2	Crotonic Acid	crot
1188	C4H6OS	2,3-dihydrothiophene-2-ol	c9000117
1189	C4H6OS	2,5-dihydrothiophene-3-ol	c9000093
1190	C4H6OS	4,5-dihydrothiophene-2-ol	c9000106
1191	C4H6OS	4,5-dihydrothiophene-3-ol	c9000082
1192	C4H6OS	Dihydro-2-(3H)-thiophenone	c1003107
1193	C4H6OS	Dihydro-3-(2H)-thiophenone	c1003049
1194	C4H6OS	Vinyl sulfoxide	c1115157
1195	CH6N4S	Carbonothioic dihydrazide	thiacarb
1196	C3H6S3	1,3,5-Trithiane	c3h6s3
1197	C3H6S3	Carbonotrithioic acid, dimethyl ester	c2314489
1198	C2H6O3S	Sulfurous acid, dimethyl ester	c616422
1199	C4H7NO	Ethoxyacetonitrile	etoaccn
1200	C4H7NO	Methacrylamide	c79390
1201	HCONH2CN2H4	formamide aminomethanimine dimer	d13
1202	C3H7ONO	Propyl nitrite	prono
1203	C5H8O	Cyclopentanone	c120923
1204	C5H8O	Methyl cyclopropyl ketone	c765435
1205	NH(CH3)CONH(CH3)	Urea, N,N'-dimethyl-	c96311
1206	C4H8O2	1,3-Dioxane	dioxan13
1207	C4H8O2	Ethyl acetate	c141786
1208	C4H8OS	s-Ethyl thioacetate	c625605
1209	C3H8O2S	(Methylsulfonyl)ethane	c594434
1210	C5H10O	2-methylbutyraldehyde	2meba
1211	C5H10O	2-Pentanone	mpk
1212	C5H10S	2H-Thiopyran, tetrahydro-	c1613510
1213	C5H10S	3-Ethylthio-1-propene	c5296628
1214	C5H10S	Cyclopentanethiol	c1679078
1215	C5H10S	Thiophene, tetrahydro-2-methyl-	c1795091
1216	C5H10S	Thiophene, tetrahydro-3-methyl-	c4740005
1217	C4H10OS	Diethyl sulfoxide	c70291
1218	C4H10S2	1,4-Butanedithiol	budisl14
1219	C5H12O	2-Pentanol	peol2
1220	C5H12O	Butane, 1-methoxy-	meobu
1221	C5H12S	1-Butanethiol, 2-methyl-	c1878188
1222	C5H12S	1-Butanethiol, 3-methyl-	c541311
1223	C5H12S	1-Pentanethiol	c110667
1224	C5H12S	1-Propanethiol, 2,2-dimethyl-	c1679089
1225	C5H12S	2-Butanethiol, 2-methyl-	c1679090
1226	C5H12S	2-Butanethiol, 3-methyl-	c2084186
1227	C5H12S	Butane, 1-(methylthio)-	c628295
1228	C5H12S	Ethyl propyl sulfide	c4110503
1229	C5H12S	Propane, 2-(ethylthio)-	c5145993
1230	C5H12S	Propane, 2-methyl-2-(methylthio)-	c6163640
1231	C4F2	difluorobutadiyne	c4f2
1232	ClCOClCO	Oxalyl chloride	oxcl
1233	CF3CN+	Acetonitrile, trifluoro- cation	cf3cn+
1234	C2F4+	Tetrafluoroethylene cation	c2f4+
1235	C2ClF3	Ethene, chlorotrifluoro-	c2f3cl
1236	CF2CCl2	difluorodichloroethylene	cf2ccl2
1237	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1238	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1239	C2FCl3	fluorotrichloroethene	c2fcl3
1240	C2Br4	tetrabromoethene	c2br4
1241	AsF5	Arsenic pentafluoride	asf5
1242	SF5	Sulfur pentafluoride	sf5
1243	SF5+	pentafluoro sulfur cation	sf5+
1244	SbCl5	Antimony pentachloride	sbcl5
1245	BrF5	bromine pentafluoride	brf5
1246	IF5	pentafluoroiodine	if5
1247	CF3CHO	trifluoroacetaldehyde	cf3cho
1248	CCl3CHO	trichloroacetaldehyde	ccl3cho
1249	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1250	CF3CH2F	1,1,1,2-tetrafluoroethane	cf3ch2f
1251	CHF2CHF2	1,1,2,2-tetrafluoroethane	chf2chf2
1252	CF3CH2Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1253	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1254	CH2ClCCl3	1,1,1,2-tetrachloroethane	ch2clccl3
1255	CH2BrCBr3	1,1,1,2-tetrabromo ethane	c2h2br4
1256	CHCl2CHF2	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1257	CF3COOH	trifluoroacetic acid	cf3cooh
1258	C4H3ClO	Furan, 2-chloro	fur2cl
1259	C4H3ClO	Furan,3-chloro	fur3cl
1260	C3H5ClO2	Carbonochloridic acid, ethyl ester	c541413
1261	C3H5Cl3	Propane, 1,2,3-trichloro-	prcl135
1262	C4H8Cl2	1,4-Dichlorobutane	c110565
1263	C4H8Cl2	Butane, 1,2-dichloro-	c616217
1264	C4H8Cl2	Butane, 1,3-dichloro-	c1190223
1265	C4H8Cl2	Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-	c2211678
1266	C4H8Cl2	Butane, 2,3-dichloro-, (r*,s*)-	c4028562
1267	C4H9ClO	1-Chloro-2-ethoxyethane	c628342
1268	C5H11Cl	Pentane, 1-chloro-	pencl1
1269	C4H8O2	Butanoic acid	bua
1270	C7H7	cycloheptatrienyl radical	c7h7
1271	C7H7+	cycloheptatrienyl cation	c7h7+
1272	C7H8	cycloheptatriene	cht
1273	C7H8	Norbornadiene	norbor
1274	C7H8	Quadricyclane	qucy
1275	C7H14	cycloheptane	c7h14
1276	C7H16	3-methylhexane	hex3m
1277	CH(CN)3	tricyanomethane	mecn3
1278	HN=C=C(CN)2	Dicyanoketenimine	c4hn3
1279	C6H7N	2-Methylpyridine	mp
1280	C6H13N	2-Methylpiperidine	pip2m
1281	C6H13N	cyclohexanamine	cham
1282	C6H15N	triethylamine	tea
1283	C4H2O3	Maleic Anhydride	malan
1284	C5H4O2	4-Cyclopentene-1,3-dione	cpdio
1285	C5H4O2	furfural	furfural
1286	C6H5O	phenoxy radical	phenoxy
1287	C5H5NO	2(1H)-Pyridinone	c72762006
1288	C5H5NO	2(3H)-Pyridinone	c9000048
1289	C5H5NO	2(5H)-Pyridinone	c9000037
1290	C5H5NO	2-Pyridinol	c109104
1291	C5H5NO	3(2H)-Pyridinone	c9000004
1292	C5H5NO	3(4H)-Pyridinone	c9000026
1293	C5H5NO	3(6H)-Pyridinone	c9000015
1294	C5H5NO	3-Pyridinol	c109002
1295	C5H5NO	4(1H)-Pryidinone	c9000060
1296	C5H5NO	4(3H)-Pryidinone	c9000059
1297	C5H5NO	4-Pyridinol	c626642
1298	C6H6O	2,4-Cyclohexadienone	c24599573
1299	C6H6O	2,5-Cyclohexadienone	c5664335
1300	C6H5SH	Benzenethiol	phsh
1301	HO2CCHNH2CH2OH	Serine	serine
1302	C5H8O2	Acetylacetone	acac
1303	C4H8O2S	Sulfolane	sulfolane
1304	C7H10	Norbornene	norbornene
1305	CH(C2H3)3	trivinyl methane	tvm
1306	C6H12O	hexanal	c6h12o
1307	C6H12O	Oxepane	oxepane
1308	C3H7OC3H7	di-n-propyl ether	propr
1309	F2CCCF2	tetrafluoroallene	pfa
1310	CF3COO-	trifluoro acetate anion	cf3coo-
1311	CF3COF	trifluoroacetyl fluoride	cf3cof
1312	CF3COCl	trifluoroacetyl chloride	cf3cocl
1313	PF6	Hexafluorophosphate neutral	pf6
1314	SeF6	Selenium hexafluoride	sef6
1315	CF3CHF2	pentafluoroethane	cf3chf2
1316	CF3CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1317	CF3CHCl2	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1318	CHCl2CClF2	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1319	CCl3CHCl2	pentachloroethane	ccl3chcl2
1320	C6H5Cl	chlorobenzene	bzcl
1321	C6H5Br	bromobenzene	bzbr
1322	C8H6	Calicene	calicene
1323	C8H6	benzocyclobutadiene	bcbd
1324	C8H6	Pentalene	pentalene
1325	CH3C6H4CH3	meta-xylene	mxylene
1326	CH3C6H4CH3	paraxylene	pxylene
1327	C8H14	Bicyclo[2.2.2]octane	bico222
1328	C8H16	cyclooctane	cyclooct
1329	(CH3)3CC(CH3)3	tetramethylbutane	tmb
1330	C8H18	Octane	c8h18
1331	C6H12N2	Triethylenediamine	ted
1332	C4O4--	squarate dianion	c4o4--
1333	S4N4	Tetrasulfur tetranitride	s4n4
1334	C6H4O2	parabenzoquinone	pbq
1335	C4H4N2O2	Uracil	uracil
1336	C5H9NO2	Proline	proline
1337	C6H12O2	Methyl pivalate	c598981
1338	C6H12O2	Hexanoic acid	hexa
1339	C4F4	tetrafluorcyclobutadiene	c4f4
1340	CF3CF2Cl	pentafluorochloroethane	cf3cf2cl
1341	CF2ClCF2Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1342	CF3CFCl2	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1343	CF2ClCFCl2	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1344	CF3CCl3	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1345	IF7	Iodine heptafluoride	if7
1346	C6H4F2	metadifluorobenzene	mdfb
1347	C6H4F2	orthodifluorobenzene	odfb
1348	C6H4F2	1,4-difluorobenzene	pdfb
1349	C6H4Cl2	1,2-dichlorobenzene	dcb12
1350	C6H4Cl2	1,3-dichlorobenzene	dcb13
1351	C6H4Cl2	1,4-dichlorobenzene	dcb14
1352	C6H5NO	nitrosobenzene	bzno
1353	C9H8	Indene	indene
1354	C9H8	spiro[4.4]nona-1,3,6,8-tetraene	snt
1355	C9H12	n-propyl benzene	prbz
1356	C9H20	Nonane	nonane
1357	C(CN)4	tetracyanomethane	c5n4
1358	C5H4N4	purine	purine
1359	C8H7N	Indole	indole
1360	C3H3N3O3	cyanuric acid	cyanuric
1361	CH3COC6H5	acetophenone	acph
1362	C3Cl3N3	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1363	C3F6	hexafluoropropene	c3f6
1364	C6H3F3	Benzene trifluoride 123	bzf3a
1365	C8H18O	1-Octanol	octanol
1366	C10H8	Azulene	azu
1367	C10H10	bullvalene	bullv
1368	C6N4	Tetracyanoethylene	tcne
1369	C6N4-	tetracyanoethylene anion	tcne-
1370	C10H22	Decane	decane
1371	C4F6	perfluorobutadiene	c4f6
1372	SF5CF3	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1373	C3F8	perfluoropropane	c3f8
1374	Fe(CO)5	Iron pentacarbonyl	ipc
1375	Fe(C5H5)2	ferrocene	fecp2
1376	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1377	B12H12--	Dodecahydrododecaborate(2-)	b12h12--
1378	C12H8	Acenaphthylene	acenaph
1379	C12H8	biphenylene	biph
1380	C12H10	Heptalene	heptalene
1381	C6H12O6	Inositol	inositol
1382	C6F6	hexafluorobenzene	c6f6
1383	S2F10	disulphur decafluoride	s2f10
1384	C13H10	Fluorene	fluorene
1385	C14H10	Anthracene	anth
1386	C14H10	Phenanthrene	phenanthrene
1387	C14H14	Bibenzyl	bibenzyl
1388	C12H10N2	azobenzene	azobenzene
1389	C6H5COC6H5	benzophenone	benzophenone
1390	C16H10	Pyrene	pyrene
1391	C18H12	Tetracene	tetracene
1392	C19H16	Triphenylmethane	tpm
1393	C24H12	Coronene	coronene
1394	C60	Buckminsterfullerene	c60