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

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

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
4	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
5	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
6	He	Helium atom	¹S	K_h
7	He	Helium atom
8	He⁺	Helium atom cation	²S	K_h
9	HeH⁺	Helium hydride cation	¹Σ	C_∞v
10	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
11	Li	Lithium atom	²S	K_h
12	Li^-	Lithium atom anion	¹S	K_h
13	Na	Sodium atom	²S	K_h
14	K	Potassium atom	²S	K_h
15	Cu	Copper atom	²S	K_h
16	LiH	Lithium Hydride	¹Σ	C_∞v
17	LiH⁺	lithium hydride cation	²Σ	C_∞v
18	KH	Potassium hydride	¹Σ	C_∞v
19	Be	Beryllium atom	¹S	K_h
20	Be⁺	Beryllium atom cation	²S	K_h
21	Mg	Magnesium atom	¹S	K_h
22	Mg⁺	Magnesium atom cation	²S	K_h
23	Ca	Calcium atom	¹S	K_h
24	Zn	Zinc atom	¹S	K_h
25	MgH	magnesium monohydride	²Σ	C_∞v
26	CaH	Calcium monohydride	²Σ	C_∞v
27	ZnH⁺	Zinc, protonated
28	BeH₂⁺	Beryllium dihydride cation
29	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
30	B	Boron atom	²P	K_h
31	B	Boron atom	⁴P	K_h
32	B⁺	Boron atom cation	¹S	K_h
33	Al	Aluminum atom	²P	K_h
34	Al^-	Aluminum atom anion	³P	K_h
35	Al⁺	Aluminum atom cation	¹S	K_h
36	Ga	Gallium atom	²P
37	Ga^-	Gallium atom anion	³P	O_h
38	Ga⁺	Gallium atom cation	¹S
39	GaH	Gallium monohydride	¹Σ	C_∞v
40	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
41	BH₃⁺	boron trihydride cation	²B₂	C_2v
42	BH₃⁺	boron trihydride cation		C_2v
43	AlH₃^-	aluminum trihydride anion		C_3v
44	BH₄^-	borohydride anion	¹A₁	T_d
45	C	Carbon atom	³P₀	K_h
46	C	Carbon atom	³P₁	K_h
47	C⁺	Carbon atom cation	²P	K_h
48	Si	Silicon atom	³P	K_h
49	Si	Silicon atom	¹S	K_h
50	Si^-	Silicon atom anion	⁴S	K_h
51	Si⁺	Silicon atom cation	²P	K_h
52	Ge	Germanium atom	³P	K_h
53	Ge^-	Germanium anion	⁴S	K_h
54	Ge⁺	Germanium cation	²P	K_h
55	CH	Methylidyne	²Π_1/2	C_∞v
56	SiH	Silylidyne	²Π	C_∞v
57	GeH	germylidene	²Π	C_∞v
58	CH₂^-	methylene anion	²B₁	C_2v
59	GeH₂	germylene	¹A₁	C_2v
60	SiH₃	Silyl radical	²A₁	C_3v
61	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
62	GeH₃	Germyl radical	²A₁	C_3v
63	GeH₃⁺	germyl cation	¹A₁^'	D_3h
64	CH₄	Methane	¹A₁	T_d
65	SiH₂D₂	silane-d2
66	GeH₄	Germane	¹A₁	T_d
67	SiH₅⁺	Silane, protonated
68	N	Nitrogen atom	⁴S	K_h
69	N	Nitrogen atom	²D	K_h
70	N⁺	Nitrogen atom cation	³P	K_h
71	P	Phosphorus atom	⁴S	K_h
72	V⁺	Vanadium atom cation	⁵D	K_h
73	As	Arsenic atomic	⁴S	K_h
74	As^-	Arsenic anion	³P	K_h
75	As⁺	Arsenic cation	³P	K_h
76	PH	phosphorus monohydride	³Σ^-	C_∞v
77	AsH	Arsenic monohydride	³Σ	C_∞v
78	NH₂	Amino radical	²B₁	C_2v
79	NH₂⁺	Amino cation	³B₁	C_2v
80	NH₂⁺	Amino cation	¹A₁	C_2v
81	NH₃	Ammonia	¹A₁	C_3v
82	PH₃	Phosphine	¹A₁	C_3v
83	PH₃⁺	Phosphine cation	²A₁	C_3v
84	AsH₃	Arsine	¹A₁	C_3v
85	AsH₃⁺	Arsine cation	²A₁	C_3v
86	AsH₄⁺	Arsonium
87	NH₄	Ammonium radical
88	PH₄	Phosphoranyl radical
89	O	Oxygen atom	³S	K_h
90	O⁺	Oxygen atom cation	⁴S	K_h
91	S	Sulfur atom	³P	K_h
92	S	Sulfur atom
93	Se	Selenium atom	³P	K_h
94	Se^-	Selenium atom anion	²P	K_h
95	Se⁺	Selenium atom cation	⁴S	K_h
96	OH	Hydroxyl radical	²Π	C_∞v
97	OH⁺	hydoxyl cation	³Σ	C_∞v
98	HS^-	mercapto anion	¹Σ	C_∞v
99	HS⁺	sulfur monohydride cation	³Σ	C_∞v
100	CrH	Chromium hydride	⁶Σ	C_∞v
101	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
102	HSe	Selenium monohydride	²Π	C_∞v
103	HSe^-	selenium monohydride anion	¹Σ	C_∞v
104	HSe⁺	selenium monohydride cation	³Σ	C_∞v
105	H₂O	Water	¹A₁	C_2v
106	H₂O^-	water anion	²A₁	C_2v
107	H₂O^-	water anion	²A^'	C_s
108	H₂O⁺	water cation	²B₁	C_2v
109	HDO	Water-d1	¹A₁	C_2v
110	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
111	H₂Se	Hydrogen selenide	¹A₁	C_2v
112	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
113	H₃O⁺	hydronium cation	¹A₁	C_3v
114	H₃S⁺	Sulfonium cation	¹A₁	C_3v
115	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
116	F	Fluorine atom	²P	K_h
117	F^-	Fluorine atom anion	¹S	K_h
118	F⁺	Fluorine atom cation	³S	K_h
119	F⁺	Fluorine atom cation	¹D	K_h
120	Cl	Chlorine atom	²P	K_h
121	Cl^-	Chlorine atom anion	¹S	K_h
122	Cl⁺	Chlorine atom cation	³P	K_h
123	Cl⁺	Chlorine atom cation	¹D	K_h
124	Br	Bromine atom	²P	K_h
125	Br^-	Bromine atom anion	¹S	K_h
126	Br⁺	Bromine atom cation	³P	K_h
127	HF	Hydrogen fluoride	¹Σ	C_∞v
128	HF^-	hydrogen fluoride anion	²Σ	C_∞v
129	HF⁺	hydrogen fluoride cation	²Π	C_∞v
130	HCl	Hydrogen chloride	¹Σ	C_∞v
131	HCl^-	hydrogen chloride anion	²Σ	C_∞v
132	HCl⁺	hydrogen chloride cation	²Π	C_∞v
133	HBr	hydrogen bromide	¹Σ	C_∞v
134	HBr^-	hydrogen bromide anion	²Σ	C_∞v
135	HBr⁺	hydrogen bromide cation	²Π	C_∞v
136	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
137	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
138	Ne	Neon atom	¹S	K_h
139	Ne	Neon atom
140	Ne⁺	Neon atom cation	²P	K_h
141	Ar	Argon atom	¹S	K_h
142	Kr	Krypton atom	¹S	K_h
143	Kr⁺	Krypton cation	²P	K_h
144	HeLi⁺	Helium Lithium cation
145	ArH⁺	Argon hydride cation	¹Σ	C_∞v
146	KrH⁺	Protonated Krypton	¹Σ	C_∞v
147	NaLi	lithium sodium	¹Σ	C_∞v
148	Na₂	Sodium diatomic	¹Σ_g	D_∞h
149	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
150	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
151	LiAl	Lithium Aluminum
152	NaAl	Sodium aluminum	¹Σ	C_∞v
153	HBBH	Diborane(2)	³Σ_G	D_∞h
154	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
155	B₂H₆	Diborane	¹A_g	D_2h
156	B₂H₆⁺	Diborane cation
157	CaC	Calcium monocarbide
158	BSi	Boron silicide	⁴Σ	C_∞v
159	BSi	Boron silicide	²Σ	C_∞v
160	GeC	Germanium monocarbide	¹Σ	C_∞v
161	SiGe	Silicon Germanium
162	C₂H	Ethynyl radical	²Σ	C_∞v
163	C₂H^-	Ethynyl anion	¹Σ	C_∞v
164	C₂H₂	Acetylene	¹Σ_g	D_∞h
165	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
166	C₂H₂⁺	acetylene cation
167	H₂CC^-	vinylidene anion
168	HCCH^-	acetylene anion
169	HCCH^-	acetylene anion
170	Si₂H₂	disilyne
171	Si₂H₂	disilyne
172	Si₂H₂	disilyne
173	Si₂H₂	disilyne
174	CH₃Li	methyl lithium	¹A₁	C_3v
175	CuCH₃	monomethyl copper	¹A₁	C_3v
176	C₂H₃	vinyl	²A^'	C_s
177	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
178	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
179	C₂H₄	Ethylene	¹A_g	D_2h
180	C₂H₄⁺	Ethylene cation	²B₃	D₂
181	Si₂H₄	Disilene
182	Si₂H₄	Disilene
183	Si₂H₄	Disilene
184	C₂H₅	Ethyl radical	²A^'	C_s
185	C₂H₆	Ethane	¹A_1g	D_3d
186	Si₂H₆	disilane	¹E_u	D_3d
187	LiN	Lithium Nitride	³Σ	C_∞v
188	LiP	Lithium monophosphide
189	LiP	Lithium monophosphide
190	MgN	Magnesium Nitride
191	MgN	Magnesium Nitride
192	GaAs	Gallium arsenide	³Π
193	GaAs	Gallium arsenide	¹Σ
194	BN	boron nitride	³Π	C_∞v
195	AlN	Aluminum nitride	³Π_i	C_∞v
196	CN	Cyano radical	²Σ	C_∞v
197	SiP	Silicon monophosphide	²Π	C_∞v
198	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
199	N₂	Nitrogen diatomic
200	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
201	PN	Phosphorus mononitride	¹Σ	C_∞v
202	HCN	Hydrogen cyanide	¹Σ	C_∞v
203	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
204	HNC⁺	hydrogen isocyanide cation
205	HCP⁺	Phosphaethyne cation
206	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
207	LiNH₂	lithium amide
208	HBNH	Boranimine	¹Σ	C_∞v
209	H₂NN	Isodiazene
210	N₂H₂	(E)-diazene	¹A_g	C_2h
211	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
212	CH₂NH	Methanimine	¹A^'	C_s
213	CH₂NH⁺	Methanimine cation
214	CHNH₂	aminomethylene
215	CHNH₂⁺	Aminocarbene cation
216	BH₂NH₂	Boranamine
217	N₂H₄	Hydrazine	¹A	C₂
218	CH₃NH₂	methyl amine	¹A^'	C_s
219	SiH₃NH₂	Silane, amino
220	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
221	BH₃PH₃	borane phosphine
222	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
223	N₂H₇⁺	ammonia ammonium dimer
224	CuO	Copper Monoxide	²Π	C_∞v
225	LiSe	Lithium monoselenide
226	CaO	Calcium monoxide	¹Σ	C_∞v
227	CaS	Calcium sulfide	¹Σ	C_∞v
228	ZnO	zinc monoxide	¹Σ	C_∞v
229	BO	boron monoxide	²Σ	C_∞v
230	BO^-	boron monoxide anion	¹Σ	C_∞v
231	GaO	Gallium monoxide	²Σ	C_∞v
232	GaS	Gallium monosulfide
233	CO	Carbon monoxide	¹Σ	C_∞v
234	CO^-	carbon monoxide anion	²Π	C_∞v
235	CO⁺	carbon monoxide cation	²Σ	C_∞v
236	SiO	Silicon monoxide	¹Σ	C_∞v
237	SiS	silicon monosulfide	¹Σ	C_∞v
238	CSe	Carbon monoselenide	¹Σ	C_∞v
239	GeO	Germanium monoxide	¹Σ	C_∞v
240	SiSe	Silicon Monoselenide
241	SiSe⁺	Silicon Monoselenide cation
242	GeSe	Germanium monoselenide
243	NO	Nitric oxide	²Π	C_∞v
244	NO^-	nitric oxide anion	³Σ	C_∞v
245	NO⁺	nitric oxide cation	¹Σ	C_∞v
246	PO	Phosphorus monoxide	²Π	C_∞v
247	NSe	Nitrogen monoselenide	²Π	C_∞v
248	AsS	Arsenic monosulfide	²Π	C_∞v
249	PSe	Phosphorus monoselenide	²Π	C_∞v
250	AsSe	Arsenic monoselenide	²Π	C_∞v
251	O₂	Oxygen diatomic	³Σ_g	D_∞h
252	O₂^-	oxygen diatomic anion	²Π	D_∞h
253	O₂^--	dioxygen dianion
254	SO	Sulfur monoxide	³Σ	C_∞v
255	SO	Sulfur monoxide	¹Σ	C_∞v
256	SO⁺	sulfur monoxide cation	²Π	C_∞v
257	S₂	Sulfur diatomic	³Σ_g	D_∞h
258	SeO	Selenium monoxide	³Σ	C_∞v
259	Se₂	Selenium diatomic	³Σ_g	D_∞h
260	LiOH	lithium hydroxide	¹Σ	C_∞v
261	KOH	Potassium hydroxide	¹Σ	C_∞v
262	BeOH	beryllium monohydroxide	²A^'	C_s
263	CaOH	Calcium monohydroxide	²Σ⁺	C_∞v
264	HBO	Boron hydride oxide	¹Σ	C_∞v
265	HBS	hydrogen boron sulfide	¹Σ	C_∞v
266	COH	Hydroxymethylidyne
267	HCO	Formyl radical	²A^'	C_s
268	HCO^-	formyl anion	¹A^'	C_s
269	HCO⁺	Formyl cation	¹Σ	C_∞v
270	HNO	Nitrosyl hydride	¹A^'	C_s
271	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
272	HO₂⁺	Hydroperoxy cation	³A^"	C_s
273	HSO⁺	Sulfur Monoxide, S-protonated
274	SOH	Sulfur Hydroxide
275	SOH⁺	Sulfur Monoxide, protonated
276	H₂CO	Formaldehyde	¹A₁	C_2v
277	H₂CO^-	formaldehyde anion	²A^'	C_s
278	H₂CO^-	formaldehyde anion
279	H₂CO⁺	formaldehyde cation	²B₂	C_2v
280	H₂CS	Thioformaldehyde	¹A₁	C_2v
281	H₂CS^-	thioformaldehyde anion
282	H₂CS^-	thioformaldehyde anion
283	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
284	H₂CSe	Selenoformaldehyde
285	H₂O₂	Hydrogen peroxide	¹A	C₂
286	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
287	H₂OO	water oxide
288	HOSH	hydrogen thioperoxide
289	H₂S₂	Disulfane	¹A	C₂
290	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
291	H₂Se₂	hydrogen diselenide
292	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
293	CH₃O^-	methoxy anion	¹A₁	C_3v
294	NH₂OH	hydroxylamine	¹A^'	C_s
295	NH₂OH⁺	Hydroxylamine cation
296	NH₂SH	Thiohydroxylamine
297	NH₂SH	Thiohydroxylamine
298	NH₃S	sulfidoazane
299	CH₃OH	Methyl alcohol	¹A^'	C_s
300	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
301	CH₃SH	Methanethiol	¹A^'	C_s
302	SiH₃OH	silanol
303	NH₂OH₂⁺	protonated hydroxylamine
304	NH₃OH⁺	N-protonated hydroxylamine
305	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
306	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
307	LiF	lithium fluoride	¹Σ	C_∞v
308	LiCl	lithium chloride	¹Σ	C_∞v
309	NaF⁺	sodium fluoride cation	²Σ	C_∞v
310	CuF	Copper monofluoride	¹Σ	C_∞v
311	LiBr	Lithium Bromide	¹Σ	C_∞v
312	CuCl	Copper monochloride	¹Σ	C_∞v
313	NaBr	Sodium Bromide	¹Σ	C_∞v
314	LiF⁺	lithium fluoride cation	²Π	C_∞v
315	CaF	Calcium monofluoride	²Σ	C_∞v
316	CaCl	calcium monochloride	²Σ	C_∞v
317	CaBr	Calcium monobromide
318	BF	Boron monofluoride	¹Σ	C_∞v
319	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
320	GaF	Gallium monofluoride	¹Σ	C_∞v
321	AlBr	Aluminum monobromide
322	GaCl	Gallium monochloride	¹Σ_G	C_∞v
323	GaBr	Gallium monobromide
324	CF	Fluoromethylidyne	²Π	C_∞v
325	CF^-	carbon monofluoride anion	³Σ	C_∞v
326	SiCl	Clorosilylidyne	²Π	C_∞v
327	CBr	Carbon monobromide	²Π	C_∞v
328	GeF	Germanium monofluoride	²Π	C_∞v
329	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
330	GeCl	Germanium monochloride	²Π	C_∞v
331	GeCl⁺	Germanium monochloride cation
332	SiBr	Silicon monobromide	²Π	C_∞v
333	SiBr⁺	Silicon monobromide cation
334	NCl	nitrogen monochloride	³Σ	C_∞v
335	AsCl	Arsenic monochloride	³Σ	C_∞v
336	PBr	Phosphorus monobromide
337	ClO	Monochlorine monoxide	²Π	C_∞v
338	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
339	SF	Monosulfur monofluoride	²Π	C_∞v
340	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
341	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
342	BrO	Bromine monoxide	²Π	C_∞v
343	BrO⁺	Bromine monoxide cation
344	SBr	Sulfur monobromide radical
345	SBr⁺	Sulfur monobromide cation
346	SeCl	Selenium monochloride	²Π	C_∞v
347	SeBr	Selenium monobromide
348	BrCl	Bromine monochloride	¹Σ	C_∞v
349	F₂	Fluorine diatomic	¹Σ_g	D_∞h
350	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
351	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
352	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
353	ClF⁺	clorine monofluoride cation	²Π	C_∞v
354	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
355	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
356	BrF	Bromine monofluoride	¹Σ	C_∞v
357	Br₂	Bromine diatomic	¹Σ_g	D_∞h
358	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
359	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
360	HCF	Fluoromethylene	¹A^'	C_s
361	HCF	Fluoromethylene	³A^"	C_s
362	HSiF	fluorosilylene
363	HSiCl	Chlorosilylene
364	HSiBr	monobromosilylene
365	HOF	Hypofluorous acid	¹A^'	C_s
366	HOCl	hypochlorous acid	¹A^'	C_s
367	HOCl⁺	hypochlorous acid cation
368	HOBr	Hypobromous acid	¹A^'	C_s
369	F₂H⁺	Fluorine, protonated	¹A^'	C_s
370	ClFH⁺	Chlorine fluoride, F-protonated
371	FClH⁺	Chlorine fluoride, Cl-protonated
372	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
373	CH₂Br	bromomethyl radical
374	CH₂F	fluoromethyl radical	²A	C_s
375	CH₂F⁺	fluoromethyl cation
376	CH₂Cl⁺	chloromethyl cation
377	CH₂Cl	chloromethyl radical	²A^'	C_s
378	CH₂Cl	chloromethyl radical	²B₁	C_2v
379	NH₂Cl	chloramine	¹A^'	C_s
380	CH₃F⁺	methyl fluoride cation
381	CH₃F	Methyl fluoride	¹A₁	C_3v
382	CH₃Cl	Methyl chloride	¹A₁	C_3v
383	CH₃Cl⁺	Methyl chloride cation
384	SiH₃F	monofluorosilane	¹A₁	C_3v
385	SiH₃Cl	chlorosilane	¹A₁	C₁
386	CH₃Br	methyl bromide	¹A₁	C_3v
387	GeH₃F	monofluorogermane
388	GeH₃Cl	monochlorogermane
389	SiH₃Br	bromosilane	¹A₁	C_3v
390	NH₃Cl⁺	protonated monochloroammonia
391	CH₃ClH⁺	methyl chloride, protonated
392	NH₄Cl	Ammonium chloride
393	LiNe⁺	Lithium Neon cation
394	Ar₂	Argon diatomic	¹S_g	D_∞h
395	C₃	carbon trimer	¹Σ_g	D_∞h
396	C₃	carbon trimer	¹A₁	C_2v
397	SiC₂	Silicon dicarbide
398	C₃H₄	cyclopropene	¹A₁	C_2v
399	CH₂CCH₂	allene	¹A₁	D_2d
400	CH₃CCH	propyne	¹A^'	C_3v
401	C₃H₅	Allyl radical	²A₂	C_2v
402	C₃H₆	Cyclopropane	¹A₁^'	D_3h
403	CH₂CHCH₃	Propene	¹A^'	C_s
404	C₃H₇	n-Propyl radical	²A^"	C₁
405	C₃H₇⁺	cyclopropane, protonated
406	CH₃CHCH₃	Isopropyl radical	²A	C₂
407	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
408	C₃H₈	Propane	¹A₁	C_2v
409	Si₃H₈	trisilane
410	LiCN	lithium cyanide	¹Σ	C*V LiCN
411	KCN	Potassium cyanide	¹Σ	C_∞v
412	KCN	Potassium cyanide	¹Σ	C_∞v
413	KCN	Potassium cyanide	¹A^'	C_s
414	ZnCN	Zinc monocyanide	²Σ	C_∞v
415	ZnNC	Zinc isocyanide	²Σ	C_∞v
416	AlCN	Aluminum monocyanide
417	AlNC	Aluminum isocyanide
418	CNN	Diazocarbene
419	N₃	azide radical	²Π_g	D_∞h
420	N₃⁺	azide cation	³Σ	C_∞v
421	HN₃	hydrogen azide	¹A^'	C_s
422	HN₃⁺	Hydrazoic acid cation
423	HNCNH	diiminomethane	¹A	C₂
424	HNNNH⁺	1,2-Triazadienium
425	NH₂NN⁺	hydrazoic acid, protonated
426	CH₃CN	Acetonitrile	¹A₁	C_3v
427	CH₃CN^-	acetonitrile anion	²E	C_3v
428	CH₃CN^-	acetonitrile anion	²A^'	C_s
429	CHNCH₂	2H-Azirine
430	CHNHCH	1H-Azirine
431	H₂CCNH	Ethenimine
432	H₂CNCH	methyleneaminomethylene
433	HCCNH₂	Ethynamine
434	HCNCH₂⁺	2H-Azirine cation
435	NH₂CNH⁺	cyanamide, cn protonated
436	NH₃CN⁺	cyanamide, amine protonated
437	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
438	CH₃CH₂NH₂	Ethylamine
439	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
440	Li₂O	dilithium oxide	¹Σ_g	D_∞h
441	Na₂O	disodium monoxide	¹Σ_g	Linear
442	Na₂O	disodium monoxide	¹A₁	C_2v
443	Na₂S	Sodium sulfide
444	Na₂S	Sodium sulfide
445	LiO₂	Lithium dioxide
446	NaO₂	Sodium superoxide
447	NCO	isocyanato radical	²Π	C_∞v
448	N₂O	Nitrous oxide	¹Σ	C_∞v
449	CO₂	Carbon dioxide	¹Σ_g	D_∞h
450	OCS	Carbonyl sulfide	¹Σ	C_∞v
451	CS₂	Carbon disulfide	¹Σ_g	D_∞h
452	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
453	OCSe	Carbonyl selenide	¹Σ	C_∞v
454	SCSe	Carbon sulfide selenide
455	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
456	NSO	sulfinyl amidogen
457	SNO	Nitrogen oxide sulfide
458	O₃	Ozone	¹A₁	C_s
459	SO₂	Sulfur dioxide	¹A₁	C_2v
460	SSO	Disulfur monoxide	¹A^'	C_s
461	S₃	Sulfur trimer	¹A₁	C_2v
462	S₃	Sulfur trimer
463	SeO₂	Selenium dioxide	¹A₁	C_2v
464	HCCO	ketenyl radical	²Π	C_∞v
465	HCCO	ketenyl radical	²A^"	C_s
466	HCNO	fulminic acid	¹Σ	C_∞v
467	HNCS	Isothiocyanic acid
468	HSCN	thiocyanic acid	¹A^'	C_s
469	HOCO	Hydrocarboxyl radical	¹A^'	cis
470	HOCO	Hydrocarboxyl radical	¹A^'	trans
471	O₃H⁺	protonated ozone	¹A^'	C_s
472	O₃H⁺	protonated ozone
473	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
474	C₂H₂O	Oxirene	¹A₁	C_2v
475	CH₂CO	Ketene	¹A₁	C_2v
476	CH₂CS	Thioketene
477	Be(OH)₂	Beryllium hydroxide
478	Be(OH)₂	Beryllium hydroxide
479	H₂COO	Dioxymethyl radical	²A^'	C_s
480	H₂COO⁺	dioxymethyl cation	²A^'	C_s
481	HCOOH	Formic acid	¹A^'	C_s
482	HCOOH	Formic acid
483	BH₃CO	Borane carbonyl	¹A₁	C_3v
484	CH₂COH⁺	ketene, protonated
485	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
486	CHSNH₂	thioformamide
487	NHCHSH	Methanimidothioic acid
488	C₂H₄O	Ethylene oxide	¹A₁	C_2v
489	C₂H₄O⁺	ethylene oxide cation
490	CH₃CHO	Acetaldehyde	¹A^'	C_s
491	CH₃CHO⁺	acetaldehyde cation
492	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
493	C₂H₄S	Thiirane	¹A₁	C_2v
494	CH₂CHSH	Ethenethiol
495	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
496	NH₂CHOH⁺	Formamide, O-protonated
497	CH₃SSH	Hydrogen methyl disulfide
498	HSCH₂SH	Methanedithiol
499	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
500	NH₂CH₂OH	aminomethanol
501	CH₃CH₂SH	ethanethiol	¹A^'	C_s
502	CH₃CH₂SH	ethanethiol	¹A	C₁
503	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
504	CH₃SCH₃⁺	dimethyl sulfide cation
505	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
506	CNF	iso cyanogen fluoride	¹Σ	C_∞v
507	BrCN	Cyanogen bromide	¹Σ	C_∞v
508	FBO	Boron monofluoride monoxide
509	MgCl₂	Magnesium dichloride	¹Σ_g	C_2v
510	BeBr₂	Beryllium bromide
511	CaBr₂	Calcium dibromide
512	CaF₂	Calcium difluoride	¹Σ_g	C_2v
513	BF₂	Boron difluoride radical	²A₁	C_2v
514	FNO	Nitrosyl fluoride	¹A^'	C_s
515	ClNO	Nitrosyl chloride	¹A^'	C_s
516	FNS	Thionitrosyl fluoride	¹A^'	C_s
517	FSN	Thiazyl fluoride	¹A^'	C_s
518	OPCl	Phosphorus oxychloride
519	CF₂	Difluoromethylene	¹A₁	D_∞h
520	CFCl	chlorofluoromethylene	¹A^'	C_s
521	SiF₂	Silicon difluoride	¹A₁	C_2v
522	GeCl₂	Germanium dichloride	¹A₁	C_2v
523	CBr₂	dibromomethylene	¹A₁	C_2v
524	CBr₂	dibromomethylene	³B₁	C_2v
525	FOO⁺	Fluorine dioxide cation
526	OClO	Chlorine dioxide	²B₁	D_∞h
527	OClO^-	Chlorine dioxide anion	¹A^'	C_s
528	ClSO	Sulfur chloride oxide	²A^"	C_s
529	BrOO	Bromine dioxide
530	PF₂	Phosphorus difluoride
531	PF₂⁺	Phosphorus difluoride cation
532	FClO	chlorosyl fluoride	¹A^'	C_s
533	ClOF	Chlorine hypofluorite	¹A^'	C_s
534	SF₂	sulfur difluoride	¹A₁	C_2v
535	SeF₂	Selenium difluoride
536	SeCl₂	Selenium Dichloride
537	SBr₂	Sulfur dibromide
538	SeBr₂	Selenium dibromide
539	Br₃^-	tribromide anion
540	SFCl	Sulfur chloride fluoride
541	HCCF	Fluoroacetylene	¹Σ	C_∞v
542	HCCBr	bromoacetylene	¹Σ	C_∞v
543	CHF₂	difluoromethyl radical	²A	C_s
544	CHF₂⁺	difluoromethyl cation
545	CHFCl	Chlorofluoromethyl radical
546	CHFCl⁺	Chlorofluoromethyl cation
547	CHCl₂⁺	dichloromethyl cation
548	CHBr₂	dibromomethyl radical
549	NHF₂	difluoramine
550	NHCl₂	dichloroamine
551	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
552	SiH₂F₂	difluorosilane
553	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
554	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
555	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
556	CH₂Br₂	dibromomethane	¹A₁	C_2v
557	CH₃MgBr	Methyl Magnesium Bromide
558	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
559	CH₂FOH	fluoromethanol
560	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
561	CHClCH₃	1-chloroethyl radical	²A	C₁
562	C₂H₅Br	Ethyl bromide	¹A^'	C_s
563	C₄	Carbon tetramer	³Σ_g	D_∞h
564	C₄	Carbon tetramer
565	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
566	C₄H₄	Tetrahedrane
567	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
568	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
569	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
570	As₄	Arsenic tetramer	¹A₁	T_d
571	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
572	H₂CNCN	cyanamide, methylene
573	HNCCNH	Ethenediimine
574	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
575	NH₂CCNH₂	Diaminoacetylene	¹A₁	D_2d
576	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
577	C₂H₅CN	ethyl cyanide	¹A^'	C_s
578	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
579	H₂NCHCHNH₂	diaminoethylene
580	CH₇N₃	triaminomethane
581	NH₂CH₂CH₂CH₃	1-Propanamine	¹A^'	C_s
582	N(SiH₃)₃	trisilylamine
583	(CH₃)₃NH⁺	protonated trimethyl amine
584	Na₂O₂	disodium dioxide
585	K₂O₂	dipotassium dioxide
586	ONNO	NO dimer	¹A_g	trans C2H
587	ONNO	NO dimer	¹A₁	cis C2V
588	S₂N₂	Disulfur dinitride	¹A_G	D_2h
589	CS₃^--	Carbonotrithioate
590	SO₃	Sulfur trioxide	¹A₁^'	D_3h
591	SO₃^--	Sulfate dianion
592	S₄	Sulfur tetramer
593	S₄	Sulfur tetramer
594	S₄	Sulfur tetramer
595	HNO₃	Nitric acid	¹A^'	C_s
596	C₃H₂O	Propadienal
597	C₃H₂O	Propadienal
598	C₂H₂O₂	Ethanedial	¹A_g	C_2h
599	CH₃NCO	methylisocyante
600	HOCH₂CN	cyanomethanol
601	CH₃NO₂	Methane, nitro-	¹A^'	C_s
602	H₃AlO₃	Aluminum hydroxide
603	CH₂CHCHO	Acrolein	¹A^'	C_s
604	CH₂CHCHO	Acrolein
605	CH₂C(OH)NH₂	1-amino vinyl alchohol
606	CH₃C(OH)=NH	Ethaninidic acid
607	CH₃CSNH₂	Ethanethioamide
608	C₃H₅OH	Cyclopropanol	¹A	C₁
609	C₃H₆O	Acetone enol	¹A^'	C_s
610	CH₃CH₂CHO	Propanal	¹A^'	C_s
611	C₃H₇OH	1-Propanol
612	Li₂F₂	Lithium fluoride dimer
613	FNO₂	Nitryl fluoride	¹A₁	C_2v
614	FONO	Nitrosyl hypofluorite	¹A^'	CS cis
615	CF₂O	Carbonic difluoride	¹A₁	C_2v
616	CF₂O⁺	Carbonic difluoride cation
617	BF₃	Borane, trifluoro-	¹A^'	D_3h
618	BF₃⁺	boron trifluoride cation
619	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
620	BClF₂	Chlorodifluoroborane
621	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
622	BCl₃⁺	Boron Trichloride cation
623	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
624	GaCl₃	Gallium trichloride	¹A₁^'	D_3h
625	CF₂Cl	difluorochloromethyl radical
626	CFCl₂	dichlorofluoromethyl radical
627	CBr₃	tribromomethyl radical
628	ClO₂F	Chloryl fluoride	¹A^'	C_s
629	SSCl₂	Thiothionyl chloride
630	NF₃	Nitrogen trifluoride	¹A₁	C_3v
631	NCl₃	nitrogen trichloride	¹A₁	C_3v
632	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
633	HClO₃	Chloric Acid	¹A^'	C_s
634	HClO₃	Chloric Acid	¹A	C₁
635	CHF₃	Methane, trifluoro-	¹A₁	C_3v
636	SiHF₃	trifluorosilane
637	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
638	CHFClBr	fluorochlorobromomethane	¹A	C₁
639	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
640	CHBr₂F	dibromofluoromethane
641	NF₃H⁺	protonated nitrogen trifluoride	¹A₁	C_3v
642	AsF₃H⁺	Arsenic trifluoride, protonated
643	C₂H₂ClF	1-chloro-1-fluoroethylene	¹A^'	C_s
644	CHFCHCl	(E)-1-chloro-2-fluoroethene	¹A^'	C_s
645	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	¹A^'	C_s
646	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
647	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
648	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
649	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
650	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
651	CH₂BrCH₂Cl	1-bromo-2-chloroethane
652	CH₂BrCH₂Cl	1-bromo-2-chloroethane
653	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
654	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A	C₂
655	CH₂CHCH₂F	Allyl Fluoride
656	CH₂CHCH₂F	Allyl Fluoride
657	CH₃CHCHF	trans-1-Fluoro-1-propene
658	CH₂FCH₂OH	2-fluoroethanol
659	CH₂FCH₂CH₃	1-Fluoropropane	¹A^'	C_s
660	CH₂FCH₂CH₃	1-Fluoropropane
661	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
662	B₅H₉	pentaborane9
663	C₅H₄	pentatetraene
664	C₅H₆	Propellane	¹A₁	D_3h
665	C₅H₈	Bicyclo[1.1.1]pentane
666	C₃H₄N₂	2H-Imidazole	¹A₁	C_2v
667	C₄H₅N	Pyrrole	¹A₁	C_2v
668	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
669	B₂O₃	diboron trioxide
670	B₂O₃	diboron trioxide
671	CaCO₃	Calcium Carbonate	¹A₁	C_2v
672	CHOOCHO	diformyl ether
673	C₃H₃NS	Thiazole
674	CH₃COCCH	3-butyn-2-one	¹A^'	C_s
675	C₄H₄Se	selenophene
676	CH₃SO₂NH₂	methanesulfonamide	¹A^'	C_s
677	CH₂CHSCHCH₂	Divinyl sulfide
678	HCOOC₂H₅	Ethyl formate	¹A^'	C_s
679	C₂H₆O₂S	Dimethyl sulfone	¹A₁	C_2v
680	C₄H₈S	Thiophene, tetrahydro-	¹A	C₁
681	C₄H₁₀O	Methyl propyl ether	¹A	C₁
682	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	¹A^'	C_s
683	C₄H₉SH	1-Butanethiol
684	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
685	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
686	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
687	CBrCl₂F	bromodichlorofluoromethane
688	CBr₂ClF	dibromochlorofluoromethane
689	CBr₂Cl₂	dibromodichloromethane	¹A₁	C_2v
690	CBr₃Cl	tribromochloromethane	¹A₁	C_3v
691	CBr₄	Carbon tetrabromide	¹A₁	T_d
692	SiBr₄	Silicon tetrabromide	¹A₁	T_d
693	GeBr₄	Germanium tetrabromide
694	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
695	SeF₄	Selenium tetrafluoride
696	SCl₄	Sulfur tetrachloride
697	CH₂ClCCCl	1,3-dichloropropyne
698	CHCl₂CCH	3,3-dichloropropyne
699	CHCl₂CHO	dichloroacetaldehyde
700	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
701	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A^'	C_s
702	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-
703	CH₂FCH₂CH₂F	1,3-difluoropropane
704	C₂H₂N₂O	Furazan
705	NH₃BF₃	Amminetrifluoroboron	¹A₁	C_3v
706	C₆H₆	Prismane
707	C₆H₆	1,2,4,5-Hexatetraene	¹A_g	C_2h
708	C₆H₆	Benzvalene	¹A₁	C_2v
709	C₆H₆	Dewar Benzene
710	C₆H₇⁺	benzene, protonated	¹A₁	C_2v
711	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
712	MgSO₄	Magnesium Sulfate	¹A₁	C_2v
713	N₂O₄	Dinitrogen tetroxide	¹A_g	D_2d
714	C₃H₂O₃	vinylene carbonate
715	C₅H₆O	2H-Pyran
716	C₅H₆O	Pentadienal
717	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
718	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
719	C₃H₆S₃	1,3,5-Trithiane	¹A₁	C_3v
720	C₅H₁₀O	3-Pentanone	¹A₁	C_2v
721	C₄F₂	difluorobutadiyne
722	ClCOClCO	Oxalyl chloride	¹A_G	C_2h
723	C₂ClF₃	Ethene, chlorotrifluoro-
724	C₂Br₄	tetrabromoethene
725	SiF₅^-	silicon pentafluoride anion
726	CH₂ClCCl₃	1,1,1,2-tetrachloroethane
727	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-
728	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
729	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
730	C₇H₇⁺	cycloheptatrienyl cation	¹A₁^'	D_7h
731	CH(CN)₃	tricyanomethane
732	HN=C=C(CN)₂	Dicyanoketenimine
733	C₇H₁₀	Norbornene
734	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
735	CF₃CHF₂	pentafluoroethane	¹A^'	C_s
736	S₄N₄	Tetrasulfur tetranitride
737	C₆H₅CHO	benzaldehyde	¹A^'	C_s
738	C₂Cl₆	hexachloroethane	¹A_1g	D_3d
739	C₆H₄Cl₂	1,4-dichlorobenzene
740	C₆H₅NO	nitrosobenzene	¹A^'	C_s
741	C₃F₆	hexafluoropropene
742	C₈H₁₈O	1-Octanol
743	C₁₀H₁₀	bullvalene
744	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)
745	S₂F₁₀	disulphur decafluoride

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H⁺	Hydrogen atom cation	h+
5	D₂	Deuterium diatomic	d2
6	HD	Deuterium hydride	hd
7	H₃⁺	hydrogen trimer cation	h3+
8	He^-	Helium atom anion	he-
9	HeH	Helium hydride	heh
10	Li⁺	Lithium atom cation	li+
11	Na^-	Sodium atom anion	na-
12	Na⁺	Sodium atom cation	na+
13	K^-	Potassium atom anion	k-
14	K⁺	Potassium atom cation	k+
15	Cu^-	Copper atom anion	cu-
16	Cu⁺	Copper atom cation	cu+
17	LiH^-	lithium hydride anion	lih-
18	NaH	sodium hydride	nah
19	NaH^-	sodium hydride anion	nah-
20	NaH⁺	sodium hydride cation	nah+
21	KH⁺	Potassium hydrogen cation	kh+
22	CuH	Copper monohydride	cuh
23	Be^-	Beryllium atom anion	be-
24	Mg^-	Magnesium atom anion	mg-
25	Ca^-	Calcium atom anion	ca-
26	Ca⁺	Calcium atom cation	ca+
27	Zn^-	Zinc atom anion	zn-
28	Zn⁺	Zinc atom cation	zn+
29	BeH	beryllium monohydride	beh
30	BeH^-	berylium monohydride anion	beh-
31	BeH⁺	beryllium monohydride cation	beh+
32	MgH^-	magnesium monohydride anion	mgh-
33	MgH⁺	magnesium monohydride cation	mgh+
34	CaH⁺	Calcium monohydride cation	cah+
35	TiH	Titanium monohydride	tih
36	ZnH	Zinc monohydride	znh
37	BeH₂	beryllium dihydride	beh2
38	CaH₂	Calcium Hydride	cah2
39	ZnH₂	Zinc hydride	znh2
40	B^-	Boron atom anion	b-
41	Sc	Scandium atom	sc
42	Sc⁺	Scandium cation	sc+
43	BH	Boron monohydride	bh
44	BH^-	boron monohydride anion	bh-
45	BH⁺	boron monohydride cation	bh+
46	AlH	aluminum monohydride	alh
47	AlH^-	aluminum monohydride anion	alh-
48	AlH⁺	aluminum monohydride cation	alh+
49	ScH	Scandium monohydride	sch
50	ScH⁺	Scandium monohydride cation	sch+
51	BH₂	boron dihydride	bh2
52	BH₂^-	boron dihydride anion	bh2-
53	BH₂⁺	Boron dihydride cation	bh2+
54	AlH₂	aluminum dihydride	alh2
55	AlH₂^-	aluminum dihydride anion	alh2-
56	AlH₂⁺	aluminum dihydride cation	alh2+
57	BH₃	boron trihydride	bh3
58	BH₃^-	boron trihydride anion	bh3-
59	AlH₃	aluminum trihydride	alh3
60	AlH₃⁺	aluminum trihydride cation	alh3+
61	ScH₃	Scandium trihydride	sch3
62	GaH₃	Gallium trihydride	gah3
63	BH₄	borohydride	bh4
64	AlH₄^-	Aluminum tetrahydride anion	alh4-
65	C^-	Carbon atom anion	c-
66	Ti	Titanium atom	ti
67	Ti^-	Titanium atom anion	ti-
68	Ti⁺	Titanium atom cation	ti+
69	Sn	Tin atom	sn
70	Sn⁺	Tin cation	sn+
71	CH^-	methylidyne anion	ch-
72	CH⁺	Methylidyne cation	ch+
73	SiH^-	silicon monohydride anion	sih-
74	SiH⁺	silicon monohydride cation	sih+
75	GeH⁺	Germaniun monohyrdide cation	geh+
76	CH₂	Methylene	ch2
77	CH₂⁺	methylene cation	ch2+
78	SiH₂	silicon dihydride	sih2
79	SiH₂^-	silicon dihydride anion	sih2-
80	SiH₂⁺	silicon dihydride cation	sih2+
81	GeH₂^-	germylene anion	geh2-
82	CH₃	Methyl radical	ch3
83	CH₃^-	methyl anion	ch3-
84	CH₃⁺	methyl cation	ch3+
85	SiH₃^-	Silyl anion	sih3-
86	CD₄	methane-d4	cd4
87	CH₂D₂	methane-d2	ch2d2
88	CH₃D	methane-d	ch3d
89	CH₄^-	Methane anion	ch4-
90	CH₄⁺	Methane cation	ch4+
91	CHD₃	methane-d3	chd3
92	SiH₄	Silane	sih4
93	SiH₄⁺	Silane cation	sih4+
94	SnH₄	Stannane	snh4
95	N^-	Nitrogen atom anion	n-
96	P^-	Phosphorus atom anion	p-
97	P⁺	Phosphorus atom cation	p+
98	V	Vanadium atom	v
99	Sb	Antimony atom	sb
100	NH	Imidogen	nh
101	NH^-	Imidogen anion	nh-
102	NH⁺	imidogen cation	nh+
103	PH^-	phosphorus monohydride anion	ph-
104	PH⁺	phosphorus monohydride cation	ph+
105	AsH⁺	Arsenic monohydride cation	ash+
106	SbH	Antimony monohydride	sbh
107	ND₂	Amidogen-d2	nd2
108	NH₂^-	amino anion	nh2-
109	PH₂	Phosphino radical	ph2
110	PH₂^-	Phosphino anion	ph2-
111	PH₂⁺	Phosphino cation	ph2+
112	AsH₂	Arsenic dihydride	ash2
113	AsH₂⁺	Arsenic dihydride cation	ash2+
114	ND₃	Ammonia-d3	nd3
115	NH₃^-	Ammonia anion	nh3-
116	NH₃⁺	ammonia cation	nh3+
117	SbH₃	Stibine	sbh3
118	NH₄⁺	ammonium cation	nh4+
119	PH₄⁺	phosphonium cation	ph4+
120	O^-	Oxygen atom anion	o-
121	S^-	Sulfur atom anion	s-
122	S⁺	Sulfur atom cation	s+
123	Cr	Chromium atom	cr
124	Te	Tellurium atom	te
125	Te⁺	Tellurium atom cation	te+
126	DO	Hydroxyl-d	od
127	OH^-	hydroxide anion	oh-
128	DS	Mercapto-d	ds
129	HS	Mercapto radical	hs
130	TeH	Telluryl radical	teh
131	D₂O	Deuterium oxide	d2o
132	D₂S	Hydrogen sulfide-d2	d2s
133	H₂S	Hydrogen sulfide	h2s
134	H₂S^-	Hydrogen sulfide anion	h2s-
135	H₂Te	Hydrogen Telluride	h2te
136	Mn	Manganese atom	mn
137	I	Iodine atom	iodine
138	I^-	Iodine atom anion	iodine-
139	I⁺	Iodine atom cation	iodine+
140	DF	Hydrofluoric acid-d	df
141	DCl	Hydrochloric acid-d	dcl
142	HI	Hydrogen iodide	hi
143	HI⁺	Hydrogen iodide cation	hi+
144	H₂F⁺	dihydrogen fluoride cation	h2f+
145	H₂I⁺	Iodonium	h2i+
146	Ne^-	Neon atom anion	ne-
147	Ar^-	Argon atom anion	ar-
148	Ar⁺	Argon atom cation	ar+
149	Fe	Iron atom	fe
150	Xe	Xenon atom	xe
151	NeH	neon hydrogen	neh
152	NeH⁺	neon hydrogen cation	neh+
153	XeH⁺	Xenon, protonated	xeh+
154	H₂Ar	H2 Ar dimer	h2ar
155	Co	Cobalt atom	cobalt
156	Ni	Nickel atom	ni
157	Li₂	Lithium diatomic	li2
158	Li₂^-	lithium diatomic anion	li2-
159	Li₂⁺	lithium diatomic cation	li2+
160	NaLi^-	lithium sodium anion	lina-
161	NaLi⁺	lithium sodium cation	lina+
162	LiK	Lithium Potassium	lik
163	NaK	Sodium Potassium	nak
164	NaK⁺	Sodium Potassium diatomic cation	nak+
165	K₂	Potassium diatomic	k2
166	Cu₂	Copper diatomic	cu2
167	LiBe	Lithium Beryllium	libe
168	LiMg	Lithium magnesium	limg
169	NaBe	Sodium Beryllium	nabe
170	NaMg	Sodium Magnesium	namg
171	Be₂	Beryllium diatomic	be2
172	Be₂^-	Beryllium diatomic anion	be2-
173	Be₂⁺	Beryllium diatomic cation	be2+
174	BeMg	Beryllium Magnesium	bemg
175	Mg₂	Magnesium diatomic	mg2
176	Mg₂^-	magnesium diatomic anion	mg2-
177	Mg₂⁺	magnesium diatomic cation	mg2+
178	Ca₂	Calcium diatomic	ca2
179	LiB	Lithium boride	lib
180	BeB	Beryllium monoboride	beb
181	B₂	Boron diatomic	b2
182	B₂^-	Boron diatomic anion	b2-
183	B₂⁺	Boron diatomic cation	b2+
184	BAl	Boron Aluminum	bal
185	Al₂	Aluminum diatomic	al2
186	Al₂^-	aluminum diatomic anion	al2-
187	Al₂⁺	aluminum diatomic cation	al2+
188	BGa	Boron Gallium	bga
189	AlGa	Aluminum Gallium	alga
190	Ga₂	Gallium diatomic	ga2
191	LiBH₄	Lithium borohydride	libh4
192	HBHHBH	Diborane(4) C2V	hbhhbh
193	Al₂H₆	dialane	al2h6
194	Ga₂H₆	digallane	ga2h6
195	LiC	Lithium Carbide	lic
196	BeC	Beryllium Carbide	bec
197	BC	boron monocarbide	bc
198	BC^-	boron monocarbide anion	bc-
199	BC⁺	boron monocarbide cation	bc+
200	AlC	Aluminum carbide	alc
201	C₂	Carbon diatomic	c2
202	C₂^-	carbon diatomic anion	c2-
203	C₂⁺	carbon diatomic cation	c2+
204	SiC	silicon monocarbide	sic
205	SiC^-	silicon monocarbide anion	sic-
206	SiC⁺	silicon monocarbide cation	sic+
207	Si₂	Silicon diatomic	si2
208	Si₂^-	silcon diatomic anion	si2-
209	Si₂⁺	silcon diatomic cation	si2+
210	Ge₂	Germanium diatomic	ge2
211	C₂H⁺	Ethynyl cation	c2h+
212	ZnCH₂	Zinc methylene	znch2
213	CCH₂	vinylidene	vinylidene
214	ZnCH₃	Zinc monomethyl	znch3
215	CH₂BH	methyleneborane	ch2bh
216	C₂H₃^-	vinyl anion	c2h3-
217	C₂H₄^-	Ethylene anion	c2h4-
218	CH₃CH	methylmethylene	ch3ch
219	CH₂SiH₂	silaethylene	ch2sih2
220	CH₃BH₂	methylborane	ch3bh2
221	C₂H₅^-	Ethyl anion	c2h5-
222	C₂H₅⁺	Ethyl cation	c2h5+
223	C₂H₆⁺	ethane cation	c2h6+
224	CH₃SiH₃	methyl silane	ch3sih3
225	GeH₃CH₃	methyl germane	geh3ch3
226	C₂H₇⁺	Ethane, protonated	c2h7+
227	LiN⁺	Lithium Nitride cation	lin+
228	BeN	Beryllium mononitride	ben
229	BeN^-	Beryllium mononitride anion	ben-
230	BeN⁺	Beryllium mononitride cation	ben+
231	BN^-	boron nitride anion	bn-
232	AlN^-	aluminum mononitride anion	aln-
233	AlN⁺	aluminum mononitride cation	aln+
234	BP	Boron monophosphide	bp
235	AlP	Aluminum monophosphide	alp
236	GaN	Gallium mononitride	gan
237	GaP	Gallium monophosphide	gap
238	BN⁺	boron nitride cation	bn+
239	CN^-	cyanide anion	cn-
240	CN⁺	Cyano cation	cn+
241	CP	Carbon monophosphide	cp
242	CP^-	carbon monophosphide anion	cp-
243	CP⁺	carbon monophosphide cation	cp+
244	SiN	Silicon nitride	sin
245	SiN^-	silicon mononitride anion	sin-
246	SiN⁺	silicon mononitride cation	sin+
247	SiP^-	Silicon monophosphide anion	sip-
248	SiP⁺	Silicon monophosphide cation	sip+
249	TiN	Titanium mononitride	tin
250	N₂⁺	diatomic nitrogen cation	n2+
251	PN^-	phosphorus nitride anion	pn-
252	PN⁺	phosphorus nitride cation	pn+
253	P₂	Phosphorus diatomic	p2
254	P₂^-	phosphorus diatomic anion	p2-
255	P₂⁺	phosphorus diatomic cation	p2+
256	AsN	Arsenic mononitride	asn
257	AsP	Arsenic monophosphide	asp
258	SbN	Antimony nitride	sbn
259	As₂	Arsenic diatomic	as2
260	HNB	hydrogen nitrogen boron	hnb
261	HNC	hydrogen isocyanide	hnc
262	HCN^-	Hydrogen cyanide anion	hcn-
263	HCP	Phosphaethyne	hcp
264	NNH	Dinitrogen monohydride	nnh
265	HPO	Hydrogen phosphorus oxide	hpo
266	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
267	CNH₂	Aminomethylidyne radical	cnh2
268	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
269	H₂CN	Dihydrogen cyanide radical	h2cn
270	H₂CN⁺	hydrocyanonium cation	h2cn+
271	HCNH	methyleneazane	hcnh
272	HCNH⁺	N-protonated HCN	hcnh+
273	N₂H₂	(Z)-Diazene	n2h2z
274	CH₂PH	Phosphaethene	ch3p
275	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
276	N₂H₄⁺	hydrazine cation	n2h4+
277	P₂H₄	Diphosphine	p2h4
278	CH₃NH₂⁺	methyl amine cation	ch3nh2+
279	CH₃PH₂	Methyl phosphine	ch3ph2
280	BH₃NH₃	borane ammonia	bh3nh3
281	CH₃NH₃⁺	protonated methylamine	ch3nh3+
282	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
283	NH₃NH₃	Ammonia Dimer	nh3nh3
284	LiO	lithium oxide	lio
285	LiO^-	lithium oxide anion	lio-
286	LiO⁺	lithium oxide cation	lio+
287	LiS	Lithium monosulfide	lis
288	LiS⁺	Lithium sulfide cation	lis+
289	NaO	sodium monoxide	nao
290	NaO^-	sodium oxide anion	nao-
291	NaO⁺	sodium oxide cation	nao+
292	KO	Potassium monoxide	ko
293	KO⁺	Potassium monoxide cation	ko+
294	NaS	Sodium sulfide	nas
295	BeO	beryllium oxide	beo
296	BeO^-	Beryllium monoxide anion	beo-
297	BeO⁺	Beryllium monoxide cation	beo+
298	BeS	beryllium sulfide	bes
299	MgO	magnesium oxide	mgo
300	MgO^-	magnesium oxide anion	mgo-
301	MgO⁺	magnesium oxide cation	mgo+
302	MgS	magnesium sulfide	mgs
303	MgS^-	magnesium sulfide anion	mgs-
304	MgS⁺	magnesium sulfide cation	mgs+
305	ZnS	Zinc sulfide	zns
306	BeS^-	Beryllium monosulfide anion	bes-
307	BeS⁺	Beryllium monosulfide cation	bes+
308	AlO	Aluminum monoxide	alo
309	AlO^-	Aluminum monoxide anion	alo-
310	AlO⁺	aluminum monoxide cation	alo+
311	BS	boron sulfide	bs
312	BS^-	boron monosulfide anion	bs-
313	BS⁺	boron monosulfide cation	bs+
314	AlS	Aluminum sulfide	als
315	AlS^-	aluminum monosulfide anion	als-
316	AlS⁺	aluminum monosulfide cation	als+
317	ScO	Scandium monoxide	sco
318	BO⁺	boron monoxide cation	bo+
319	CS	carbon monosulfide	cs
320	CS^-	carbon monosulfide anion	cs-
321	CS⁺	carbon monosulfide cation	cs+
322	SiO^-	silicon monoxide anion	sio-
323	SiO⁺	silicon monoxide cation	sio+
324	SiS^-	silicon monosulfide anion	sis-
325	SiS⁺	silicon monosulfide cation	sis+
326	TiO	Titanium monoxide	tio
327	CSe^-	Carbon monoselenide anion	cse-
328	CSe⁺	Carbon monoselenide cation	cse+
329	GeO⁺	Germanium monoxide cation	geo+
330	GeS	Germanium monosulfide	ges
331	NS	Mononitrogen monosulfide	ns
332	NS^-	nitrogen sulfide anion	ns-
333	NS⁺	nitrogen sulfide cation	ns+
334	PO^-	phosphorus monoxide anion	po-
335	PO⁺	phosphorus monoxide cation	po+
336	PS	phosphorus sulfide	ps
337	PS^-	phosphorus monosulfide anion	ps-
338	PS⁺	phosphorus monosulfide cation	ps+
339	VO	Vanadium monoxide	vo
340	AsO	Arsenic monoxide	aso
341	O₂⁺	diatomic oxygen cation	o2+
342	SO^-	sulfur monoxide anion	so-
343	S₂^-	sulfur diatomic anion	s2-
344	S₂⁺	sulfur diatomic cation	s2+
345	SeO^-	selenium monoxide anion	seo-
346	SeO⁺	selenium monoxide cation	seo+
347	SeS	Selenium monosulfide	ses
348	SeS^-	selenium monosulfide anion	ses-
349	SeS⁺	selenium monosulfide cation	ses+
350	TeO	Tellurium monoxide	teo
351	Se₂^-	selenium diatomic anion	se2-
352	Se₂⁺	selenium diatomic cation	se2+
353	Te₂	Tellurium diatomic	te2
354	NaOH	sodium hydroxide	naoh
355	MgOH	magnesium hydroxide	mgoh
356	COH⁺	Carbon Monoxide, protonated	coh+
357	HCS	Thioformyl radical	hcs
358	HCS^-	Thioformyl anion	hcs-
359	HCS⁺	Thioformyl cation	hcs+
360	HNO^-	Nitrosyl hydride anion	hno-
361	NOH	Hydroxyimidogen	noh
362	NOH⁺	O-protonated nitric oxide	noh+
363	HNS	Sulfur imide	hns
364	HNS^-	Sulfur imide anion	hns-
365	HO₂	Hydroperoxy radical	ho2
366	HO₂^-	Hydroperoxy anion	ho2-
367	HS₂	Thiosulfeno radical	hs2
368	HOCH	hydroxycarbene	hoch
369	H₂NO	nitroxide	h2no
370	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
371	CH₂OH	Hydroxymethyl radical	ch2oh
372	CH₃O	Methoxy radical	ch3o
373	CH₃O⁺	Methoxy cation	ch3o+
374	CH₃S	thiomethoxy	ch3s
375	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
376	NH₃O	Ammonia Oxide	nh3o
377	H₂POH	Phosphinous acid	h2poh
378	H₃PO	Phosphine oxide	h3po
379	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
380	CH₃OH^-	Methyl alcohol anion	ch3oh-
381	CH₃SH⁺	Methanethiol cation	ch3sh+
382	CH₃SeH	Methane selenol	ch3seh
383	H₂OH₂O	water dimer	h2oh2o
384	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
385	H₂ONH₃	Water Ammonia Dimer	h2onh3
386	LiCl^-	lithium chloride anion	licl-
387	LiCl⁺	lithium chloride cation	licl+
388	NaF	sodium fluoride	naf
389	NaF^-	sodium fluoride anion	naf-
390	KF	Potassium Fluoride	kf
391	NaCl	Sodium Chloride	nacl
392	NaCl^-	sodium chloride anion	nacl-
393	NaCl⁺	sodium chloride cation	nacl+
394	KCl	Potassium Chloride	kcl
395	LiBr^-	lithium bromide anion	libr-
396	LiBr⁺	lithium bromide cation	libr+
397	NaBr^-	sodium bromide anion	nabr-
398	NaBr⁺	sodium bromide cation	nabr+
399	KBr	Potassium Bromide	kbr
400	LiI	Lithium Iodide	lii
401	NaI	Sodium Iodide	nai
402	KI	Potassium Iodide	ki
403	LiF^-	lithium fluoride anion	lif-
404	BeF	Beryllium monofluoride	bef
405	BeF^-	Beryllium monofluoride anion	bef-
406	BeF⁺	Beryllium monofluoride cation	bef+
407	BeCl	beryllium monochloride	becl
408	MgF	Magnesium monofluoride	mgf
409	MgF^-	magnesium fluoride anion	mgf-
410	MgF⁺	magnesium fluoride cation	mgf+
411	MgCl	magnesium monochloride	mgcl
412	MgCl^-	magnesium monochloride anion	mgcl-
413	MgCl⁺	magnesium monochloride cation	mgcl+
414	TiCl	Titanium Monochloride	ticl
415	ZnF	Zinc monofluoride	znf
416	ZnF^-	Zinc monofluoride anion	znf-
417	ZnF⁺	Zinc monofluoride cation	znf+
418	ZnCl	Zinc monochloride	zncl
419	BeCl^-	beryllium monochloride anion	becl-
420	BeCl⁺	beryllium monochloride cation	becl+
421	BF^-	Boron monofluoride anion	bf-
422	BF⁺	Boron monofluoride cation	bf+
423	AlF^-	Aluminum monofluoride anion	alf-
424	AlF⁺	Aluminum monofluoride cation	alf+
425	BCl	boron monochloride	bcl
426	BCl^-	boron monochloride anion	bcl-
427	BCl⁺	boron monochloride cation	bcl+
428	AlCl	Aluminum monochloride	alcl
429	AlCl^-	aluminum monochloride anion	alcl-
430	AlCl⁺	aluminum monochloride cation	alcl+
431	ScF	Scandium monofluoride	scf
432	BBr	Boron monobromide	bbr
433	GaF⁺	Gallium monofluoride cation	gaf+
434	GaCl⁺	Gallium monochloride cation	gacl+
435	AlI	Aluminum monoiodide	ali
436	CF⁺	carbon monofluoride cation	cf+
437	CCl	carbon monochloride	ccl
438	CCl^-	carbon monochloride anion	ccl-
439	CCl⁺	carbon monochloride cation	ccl+
440	SiF	silicon monofluoride	sif
441	SiF^-	silicon monofluoride anion	sif-
442	SiF⁺	silicon monofluoride cation	sif+
443	SiCl^-	silicon monochloride anion	sicl-
444	SiCl⁺	silicon monochloride cation	sicl+
445	NF	nitrogen fluoride	nf
446	NF^-	nitrogen monofluorine anion	nf-
447	NF⁺	nitrogen monofluoirde cation	nf+
448	NCl^-	nitrogen monochloride anion	ncl-
449	NCl⁺	nitrogen monochloride cation	ncl+
450	PF	phosphorus monofluoride	pf
451	PF^-	phosphorus monofluoride anion	pf-
452	PF⁺	phosphorus monofluoride cation	pf+
453	PCl	phosphorus chloride	pcl
454	PCl^-	phosphorus monochloride anion	pcl-
455	PCl⁺	phosphorus monochloride cation	pcl+
456	AsF	Arsenic monofluoride	asf
457	NBr	nitrogen monobromide	nbr
458	SbF	Antimony monofluoride	sbf
459	SbCl	Antimony monochloride	sbcl
460	FO	Oxygen monofluoride	fo
461	FO^-	flourine oxide anion	fo-
462	FO⁺	fluorine monoxide cation	fo+
463	ClO^-	chlorine monoxide anion	clo-
464	SF^-	sulfur monofluoride anion	sf-
465	SCl	sulfur monochloride	scl
466	SCl^-	sulfur monochloride anion	scl-
467	BrO^-	Bromine monoxide anion	bro-
468	SeF	Selenium monofluoride	sef
469	IO	Iodine monoxide	io
470	ClF^-	clorine monofluoride anion	clf-
471	Cl₂^-	chlorine diatomic anion	cl2-
472	BrF^-	bromine fluoride anion	brf-
473	BrF⁺	bromine fluoride cation	brf+
474	BrCl^-	bromine chloride anion	brcl-
475	BrCl⁺	bromine chloride cation	brcl+
476	IF	Iodine monofluoride	if
477	ICl	Iodine monochloride	icl
478	IBr	Iodine monobromide	ibr
479	I₂	Iodine diatomic	i2
480	I₂⁺	Iodine diatomic cation	i2+
481	HCCl	Chloromethylene	hccl
482	CHBr	bromomethylene	chbr
483	DOCl	Hypochlorous acid-d	docl
484	HOBr⁺	Hypobromous acid cation	hobr+
485	HOI	Hypoiodous acid	hoi
486	FHF	Hydrogen difluoride	fhf
487	FHF^-	Hydrogen difluoride anion	fhf-
488	NH₂F	monofluoroamine	nh2f
489	H₂F₂	Hydrogen fluoride dimer	h2f2
490	CD₃F	methylfluoride-d3	cd3f
491	CD₃Cl	methyl chloride d3	cd3cl
492	CH₃I	methyl iodide	ch3i
493	SiH₃I	Silyl Iodide	sih3i
494	Ne₂	Neon diatomic	ne2
495	Ne₂⁺	Neon diatomic cation	ne2+
496	Ar₂⁺	Argon diatomic cation	ar2+
497	Li₃	Lithium trimer	li3
498	Li₃⁺	Lithium trimer cation	li3+
499	C₃⁺	carbon trimer cation	c3+
500	C₃H₃	cyclopropenyl radical	cpr
501	C₃H₃	Propargyl radical	propargyl
502	C₃H₃^-	Propargyl anion	c3h3-
503	C₃H₃⁺	cyclopropenyl cation	cpr+
504	C₃H₃⁺	Propargyl cation	c3h3+
505	C₃H₅⁺	Allyl cation	allyl+
506	CH₃CHCH	1-propenyl radical	ch3chch
507	Zn(CH₃)₂	dimethyl zinc	dmz
508	SiH₂(CH₃)₂	dimethylsilane	dms
509	NaCN	Sodium Cyanide	nacn
510	CuCN	Copper cyanide	cucn
511	CN₂	3H-Diazirin-3-ylidene	cn2
512	NCN	Cyanoimidogen	ncn
513	N₃^-	azide anion	n3-
514	HCCN	cyanomethylene	hccn
515	HCNN	diazomethyl radical	hcnn
516	CH₂N₂	diazirine	ch2n2
517	CH₂NN	diazomethane	ch2nn
518	NH₂CN	cyanamide	cyanamide
519	CH₃CN⁺	Acetonitrile cation	ch3cn+
520	CH₃NC	methyl isocyanide	ch3nc
521	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
522	NCNH₃⁺	Cyanamide, protonated	ncnh3+
523	CH₂CHNH	vinylazine	ch2chnh
524	CH₃CHN	methylmethaniminyl radical	ch3chn
525	NHCHNH₂	aminomethanimine	cn2h4
526	C₂H₅N	Aziridine	c2h5n
527	CH₂CHNH₂	aminoethene	aminoethene
528	CH₂NCH₃	N-methylmethanimine	nmm
529	CH₃CHNH	ethanimine	ethanimine
530	NH₂BHNH₂	diaminoborane	nh2bhnh2
531	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
532	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
533	CH₃NHCH₃	Dimethylamine	ch3nhch3
534	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
535	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
536	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
537	Li₂O⁺	dilithium oxide cation	li2o+
538	Li₂S	dilithium sulfide	li2s
539	CCO	Dicarbon monoxide	cco
540	CNO^-	fulminate	cno-
541	NCO^-	cyanate	nco-
542	SCN	thiocyanato radical	scn
543	SCN^-	thiocyanide anion	scn-
544	BO₂	Boron dioxide	bo2
545	BO₂^-	Boron dioxide anion	bo2-
546	BO₂⁺	Boron dioxide cation	bo2+
547	N₂O^-	Nitrous oxide anion	n2o-
548	N₂O⁺	Nitrous oxide cation	n2o+
549	NNS	Nitrogen sulfide	nns
550	PPO	Phosphorus oxide phosphide	ppo
551	CO₂^-	Carbon dioxide anion	co2-
552	CO₂⁺	Carbon dioxide cation	co2+
553	OCS⁺	Carbonyl sulfide cation	cos+
554	SiO₂	silicon dioxide	sio2
555	CS₂^-	Carbon disulfide anion	cs2-
556	CS₂⁺	Carbon disulfide cation	cs2+
557	TiO₂	Titanium dioxide	tio2
558	SiS₂	Silicon disulfide	sis2
559	GeS₂	Germanium disulfide	ges2
560	CSe₂	Carbon diselenide	cse2
561	SCTe	Carbon sulfide Telluride	scte
562	NO₂	Nitrogen dioxide	no2
563	NO₂^-	Nitrogen dioxide anion	no2-
564	PO₂	Phosphorus dioxide	po2
565	PO₂^-	Phosphorus dioxide anion	po2-
566	PO₂⁺	Phosphorus dioxide cation	po2+
567	AsO₂	Aresenic dioxide	aso2
568	O₃^-	Ozone anion	o3-
569	O₃⁺	Ozone cation	o3+
570	SO₂^-	Sulfur dioxide anion	so2-
571	SO₂⁺	Sulfur dioxide cation	so2+
572	S₃^-	Sulfur trimer anion	s3-
573	S₃⁺	Sulfur trimer cation	s3+
574	SeO₂⁺	Selenium dioxide cation	seo2+
575	TeO₂	Tellurium Dioxide	teo2
576	CS₂H⁺	Carbon disulfide, protonated	cs2h+
577	HNCO	Isocyanic acid	hnco
578	HOCN	cyanic acid	hocn
579	HCO₂^-	formate anion	hco2-
580	HNNO	nitrosoazane	hnno
581	HNNO⁺	Nitrous oxide, N-protonated	hnno+
582	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
583	HCOO	formate neutral radical	hcoo
584	HOCO⁺	Hydrocarboxyl cation	hoco+
585	HNO₂	Nitrous acid	hno2
586	HNO₂⁺	nitrous acid cation	hno2+
587	CH₂CO⁺	Ketene cation	ch2co+
588	HCCOH	ethynol	hccoh
589	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
590	NH₂NO	Nitrosamide	nh2no
591	CH₂O₂	Dioxirane	diox
592	H₂O₃	Hydrogen trioxide	h2o3
593	HSSSH	trisulfane	hsssh
594	NaOCH₃	Sodium methoxide	naoch3
595	CH₂BOH	hydroxy(methylene)borane	ch2boh
596	CH₃BO	Borane, methyloxo-	ch3bo
597	CH₂CHO	Vinyloxy radical	ch2cho
598	CH₃CO	Acetyl radical	ch3co
599	CH₃CO^-	Acetyl anion	ch3co-
600	CH₃CO⁺	acetyl cation	ch3co+
601	CH₂NOH	formaldoxime	ch2noh
602	CH₃NO	nitrosomethane	ch3no
603	CHONH₂	formamide	formamide
604	CNOH₃	1,2-oxaziridine	cnoh3
605	CH₂OOH	CH2OOH radical	ch2ooh
606	CH₃OO	methylperoxy radical	ch3oo
607	CH₃OO^-	methylperoxy anion	ch3oo-
608	CH₃OO⁺	methylperoxy cation	ch3oo+
609	CH₂CHOH	ethenol	ch2choh
610	H₂CONH₂⁺	protonated formamide	h2conh2+
611	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
612	CH₂(OH)₂	methanediol	ch2o2h2
613	CH₃OOH	Methyl peroxide	ch3ooh
614	H₂OH₂CO	water formaldehyde dimer	h2oh2co
615	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
616	CH₃CH₂O	Ethoxy radical	ethoxy
617	CH₃CHOH	1-hydroxy-ethyl radical	ch3choh
618	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
619	CH₃OCH₂	methoxymethyl radical	ch3och2
620	CH₃CH₂OH	Ethanol	etoh
621	CH₃OCH₃	Dimethyl ether	meome
622	CH₃OHH₂O	methanol water dimer	ch3ohh2o
623	H₂OCH₃OH	water methanol dimer	h2och3oh
624	CuF₂	Copper difluoride	cuf2
625	ZnF₂	Zinc difluoride	znf2
626	FCN	Cyanogen fluoride	fcn
627	ClCN	chlorocyanogen	clcn
628	ICN	Cyanogen iodide	icn
629	BeF₂	Beryllium fluoride	bef2
630	MgF₂	Magnesium fluoride	mgf2
631	BeCl₂	Beryllium chloride	becl2
632	CaCl₂	Calcium Chloride	cacl2
633	ZnCl₂	Zinc dichloride	zncl2
634	FCO	Carbonyl fluoride	fco
635	FCO⁺	Carbonyl fluoride cation	fco+
636	ClCO	carbonyl monochloride	clco
637	BrNO	Nitrosyl bromide	brno
638	INO	Nitrosyl iodide	ino
639	CF₂^-	Difluoromethylene anion	cf2-
640	CF₂⁺	Difluoromethylene cation	cf2+
641	SiF₂⁺	Silicon difluoride cation	sif2+
642	CCl₂	dichloromethylene	ccl2
643	CCl₂^-	dichloromethylene anion	ccl2-
644	CCl₂⁺	dichloromethylene cation	ccl2+
645	SiCl₂	Dichlorosilylene	sicl2
646	GeF₂	Germanium difluoride	gef2
647	FOO	Dioxygen monofluoride radical	foo
648	ClOO	chloroperoxy radical	cloo
649	ClOO⁺	chloroperoxy cation	cloo+
650	OClO⁺	Chlorine dioxide cation	oclo+
651	ClS₂	Sulfur chloride	cls2
652	OBrO	Bromine dioxide radical	obro
653	NF₂	Difluoroamino radical	nf2
654	NF₂⁺	Difluoroamino cation	nf2+
655	F₂O	Difluorine monoxide	f2o
656	SF₂^-	sulfur difluoride anion	sf2-
657	SF₂⁺	sulfur difluoride cation	sf2+
658	Cl₂O	Dichlorine monoxide	cl2o
659	SCl₂	Sulfur dichloride	scl2
660	BrOCl	Bromine hypochlorite	brocl
661	BrOBr	Bromine oxide	brobr
662	F₃^-	trifluoride anion	f3-
663	Cl₃^-	trichloride anion	cl3-
664	I₃^-	triiodide	i3-
665	HCCF⁺	fluoroacetylene cation	hccf+
666	HCCCl	Chloroacetylene	hcccl
667	HFCO	formyl fluoride	hfco
668	HFCO⁺	formyl fluoride cation	hfco+
669	COHCl	Formyl chloride	cohcl
670	COHBr	Formyl bromide	cohbr
671	BHF₂	Difluoroborane	bhf2
672	BHCl₂	Borane, dichloro-	bhcl2
673	CHCl₂	dichloromethyl radical	chcl2
674	HOClO	Chlorous acid	hoclo
675	CH₂FCl	fluorochloromethane	ch2fcl
676	CH₂FI	fluoroiodomethane	ch2fi
677	CH₂ClI	chloroiodomethane	ch2cli
678	CH₂BrI	bromoiodomethane	ch2bri
679	CH₂I₂	Diiodomethane	ch2i2
680	SiH₂Cl₂	dichlorosilane	sih2cl2
681	CH₂CHF⁺	fluoroethene cation	ch2chf+
682	C₂H₃Cl	Ethene, chloro-	ch2chcl
683	C₂H₃Br	vinyl bromide	c2h3br
684	C₂H₃I	Vinyl iodide	c2h3i
685	CH₃OCl	methyl hypochlorite	ch3ocl
686	C₂H₅F	fluoroethane	c2h5f
687	CH₃CH₂Cl	Ethyl chloride	c2h5cl
688	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
689	C₂H₅I	Ethyl iodide	c2h5i
690	KrF₂	Krypton difluoride	krf2
691	XeF₂	Xenon difluoride	xef2
692	B₄H₁₀	Tetraborane(10)	b4h10
693	C₄⁺	Carbon tetramer cation	c4+
694	C₄H₂	Diacetylene	c4h2
695	C₂H₃CCH	1-Buten-3-yne	c2h3cch
696	C₄H₄	cyclobutadiene	cbd
697	H₂CCCCH₂	Butatriene	h2cccch2
698	C₄H₆	1-Methylcyclopropene	c3100047
699	C₄H₆	Cyclobutene	c822355
700	C₄H₆	Methylenecyclopropane	c6142730
701	CH₂CCHCH₃	1,2-Butadiene	butad12
702	CH₂CHCHCH₂	1,3-Butadiene	c106990
703	CH₃CCCH₃	2-Butyne	c503173
704	CHCCH₂CH₃	1-Butyne	c107006
705	CH₃CHCHCH₂	methylallyl radical	c4h7
706	C₄H₈	methylcyclopropane	mcp
707	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
708	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
709	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
710	B(CH₃)₃	trimethylborane	bme3
711	Al(CH₃)₃	trimethyl aluminum	tma
712	C(CH₃)₃	Tert-butyl radical	tbutyl
713	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
714	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
715	CH₃CH(CH₃)CH₃	Isobutane	isobutane
716	SiH(CH₃)₃	trimethylsilane	trimsi
717	Li₃N	trilithium nitride	li3n
718	C₂N₂	Cyanogen	c2n2
719	C₂N₂⁺	Cyanogen cation	c2n2+
720	P₄	Phosphorus tetramer	p4
721	HCCCN	Cyanoacetylene	hcccn
722	C₃H₃N	acrylonitrile	ch2chcn
723	C₃H₃N⁺	acrylonitrile cation	ch2chcn+
724	CH₃N₃	methyl azide	ch3n3
725	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
726	CH₅N₃	Guanidine	guanidine
727	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
728	CH₆N₃⁺	guanidinium	ch6n3+
729	C₃H₇N	Cyclopropylamine	cpram
730	C₃H₇N	Azetidine	azet
731	C₄H₈	cyclobutane	cbutane
732	C₂H₈N₂	Ethylenediamine	ethdiam
733	CH₃NHNHCH₃	dimethyl hydrazine	dmh
734	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
735	N(CH₃)₃	Trimethylamine	trimeam
736	P(CH₃)₃	trimethylphosphine	tmp
737	As(CH₃)₃	trimethyl arsine	tmas
738	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
739	Li₂O₂	dilithium dioxide	li2o2
740	C₃O	Tricarbon monoxide	c3o
741	B₂O₂	Diboron dioxide	b2o2
742	CO₃	Carbon trioxide	co3
743	CO₃^--	carbonate	co3--
744	NO₃	Nitrogen trioxide	no3
745	NO₃^-	nitrate anion	no3-
746	NO₃⁺	nitrogen trioxide cation	no3+
747	SO₃^-	Sulfur trioxide anion	so3-
748	SO₃⁺	Sulfur trioxide cation	so3+
749	SeO₃	selenium trioxide	seo3
750	TeO₃	Tellurium trioxide	teo3
751	HCO₃^-	bicarbonate anion	hco3-
752	HSO₃	Hydroxysulfonyl radical	hso3
753	NH₂NO₂	nitramide	nh2no2
754	C₂H₂CO	cyclopropenone	c2h2co
755	HCCCHO	2-propynal	hcccho
756	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
757	H₂CO₃	Carbonic acid	h2co3
758	H₂CS₃	thiocarbonic acid	h2cs3
759	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
760	H₂SO₃	Sulfurous acid	h2so3
761	C₂H₃NO	Nitrosoethylene	c2h3no
762	CH₃COO^-	acetate anion	ch3coo-
763	CH₃ONO	Methyl nitrite	ch3ono
764	NH₂COOH	Carbamic acid	nh2cooh
765	H₃BO₃	Boric acid	h3bo3
766	H₃CO₃⁺	carbonic acid, protonated	h3co3+
767	C₃H₄O	2-Propyn-1-ol	c107197
768	C₃H₄O	allenol	c9000071
769	C₃H₄O	Cyclopropanone	cpone
770	C₃H₄O	Methylketene	c6004440
771	NH₂CONH₂	Urea	urea
772	NH₂CONH₂⁺	Urea cation	urea+
773	NH₂CSNH₂	Thiourea	thiourea
774	C₂H₄O₂	1,3-dioxetane	c2h4o2
775	CH₃COOH	Acetic acid	ch3cooh
776	CH₃OCHO	methyl formate	ch3ocho
777	CHOCH₂OH	hydroxy acetaldehyde	haa
778	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
779	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
780	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
781	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
782	HCOOHH₂O	Formic acid water dimer	hcoohh2o
783	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
784	CH₃COCH₂	Acetonyl radical	ch3coch2
785	CH₃CHNOH	Acetaldoxime	acetaldoxime
786	CH₃CONH₂	Acetamide	acetamide
787	HCONHCH₃	N-methylformamide	nmfa
788	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
789	H₂NCOHNH₂⁺	urea, protonated	ureah+
790	C₂H₅OO	ethylperoxy radical	c2h5oo
791	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
792	C₃H₆O	2-Propen-1-ol	c107186
793	C₃H₆O	Oxetane	oxetane
794	C₃H₆O	Propylene oxide	prox
795	CH₃COCH₃	Acetone	acetone
796	CH₃COCH₃^-	acetone anion	ch3coch3-
797	C₃H₆S	Thietane	thietane
798	C₃H₆S	Thiirane, methyl-	methiirane
799	CH₃CSCH₃	Thioacetone	ch3csch3
800	C₂H₆O₂	1,2-Ethanediol	ethdiol
801	CH₃OOCH₃	dimethylperoxide	dmp
802	CH₃SOCH₃	Dimethyl sulfoxide	dmso
803	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
804	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
805	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
806	HOCH₂CH₂NH₂	monoethanolamine	mea
807	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
808	CH₃OC₂H₅	Ethane, methoxy-	etome
809	C₃H₇SH	1-Propanethiol	prsh
810	CH₃CHSHCH₃	2-Propanethiol	isoprsh
811	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
812	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
813	Na₂F₂	Sodium Fluoride Dimer	na2f2
814	Na₂Cl₂	Disodium dichloride	na2cl2
815	C₂F₂	difluoroacetylene	c2f2
816	C₂Cl₂	dichloroacetylene	c2cl2
817	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
818	ClNO₂	Nitryl chloride	clno2
819	ClONO	chlorine nitrite	clono
820	BrONO	Bromine nitrite	brono
821	N₂F₂	(Z)-Difluorodiazene	n2f2_z
822	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
823	COFCl	Carbonic chloride fluoride	cofcl
824	CCl₂O	Phosgene	cl2co
825	Cl₂CS	Thiophosgene	cl2cs
826	COBr₂	Carbonic dibromide	cobr2
827	BF₃^-	Borane, trifluoro- anion	bf3-
828	AlF₂Cl	Aluminum chloride difluoride	alclf2
829	ScF₃	Scandium trifluoride	ScF3
830	AlFCl₂	Aluminum dichloride fluoride	alcl2f
831	AlCl₃	Aluminum trichloride	alcl3
832	BBr₃	Boron tribromide	bbr3
833	AlBr₃	Aluminum Bromide	albr3
834	ClO₃	Chlorine trioxide	clo3
835	ClO₃^-	chlorate anion	clo3-
836	BrO₃^-	Bromate anion	bro3-
837	CF₃	Trifluoromethyl radical	cf3
838	CF₃^-	Trifluoromethyl anion	cf3-
839	CF₃⁺	Trifluoromethyl cation	cf3+
840	SiF₃	Silicon trifluoride radical	sif3
841	SiF₃⁺	Silicon trifluoride cation	sif3+
842	CCl₃	Trichloromethyl radical	ccl3
843	CCl₃^-	Trichloromethyl anion	ccl3-
844	CCl₃⁺	Trichloromethyl cation	ccl3+
845	SiCl₃	trichlorosilyl radical	sicl3
846	SiCl₃⁺	trichlorosilyl cation	sicl3+
847	FOOF	Perfluoroperoxide	foof
848	F₂SO	Thionyl Fluoride	f2so
849	ClOOCl	Dichlorine dioxide	cloocl
850	FSSF	Difluorodisulfane	fssf
851	S₂F₂	Thio-thionyl fluoride	s2f2
852	SOCl₂	thionyl chloride	socl2
853	SeOCl₂	selenium oxychloride	seocl2
854	NF₃^-	Nitrogen trifluoride anion	nf3-
855	NF₃⁺	Nitrogen trifluoride cation	nf3+
856	PF₃	Phosphorus trifluoride	pf3
857	AsF₃	Arsenic trifluoride	asf3
858	PCl₃	Phosphorus trichloride	pcl3
859	SbF₃	Antimony Trifluoride	sbf3
860	AsCl₃	Arsenous trichloride	ascl3
861	SbCl₃	Antimony Trichloride	sbcl3
862	PBr₃	Phosphorus tribromide	pbr3
863	AsBr₃	Arsenic tribromide	asbr3
864	NI₃	Nitrogen triiodide	ni3
865	PI₃	Phosphorus triiodide	pi3
866	ClSSCl	Disulfur dichloride	s2cl2
867	SF₃	Sulfur trifluoride	sf3
868	ClF₃	Chlorine trifluoride	clf3
869	BrF₃	Bromine trifluoride	brf3
870	IF₃	iodone trifluoride	if3
871	CHF₂Cl	difluorochloromethane	chf2cl
872	CHFCl₂	fluorodichloromethane	chfcl2
873	CDCl₃	trichloromethane-d	cdcl3
874	CHCl₃	Chloroform	chcl3
875	SiHCl₃	Trichlorosilane	sihcl3
876	CHF₂I	difluoroiodomethane	chf2i
877	CHFClI	fluorochloroiodomethane	chfcli
878	CHCl₂I	dichloroiodomethane	chcl2i
879	CHClBr₂	Methane, dibromochloro-	chclbr2
880	CHBr₃	bromoform	chbr3
881	CHI₃	Iodoform	chi3
882	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
883	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
884	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
885	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
886	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
887	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
888	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
889	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
890	CH₃COF	Acetyl fluoride	ch3cof
891	CH₂ClCHO	chloroacetaldehyde	ch2clcho
892	CH₃COCl	Acetyl Chloride	ch3cocl
893	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
894	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
895	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
896	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
897	CH₂CFCH₃	2-fluoropropene	2fpro
898	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
899	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
900	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
901	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
902	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
903	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
904	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
905	CH₃CH₂CH₂Br	n-propyl bromide	prbr
906	CH₃CHBrCH₃	i-propyl bromide	iprbr
907	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
908	C₅H₅	cyclopentadienyl radical	c5h5
909	C₅H₅^-	cylopentadienyl anion	c5h5-
910	C₅H₆	1,3-Cyclopentadiene	c542927
911	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
912	C₅H₆	3-Penten-1-yne, (E)-	c2004695
913	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
914	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
915	C₅H₆	Cyclopropylacetylene	c6746947
916	C₅H₇	1,3-pentadienyl radical	pdyl
917	C₅H₇	cyclopentenyl radical	cpyl
918	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
919	C₅H₈	1,2-Pentadiene	c591957
920	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
921	C₅H₈	1,3-Pentadiene, (E)-	c2004708
922	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
923	C₅H₈	1,4-Pentadiene	c591935
924	C₅H₈	1-pentyne	a1pentyne
925	C₅H₈	2,3-Pentadiene	c591968
926	C₅H₈	Cyclobutane, methylene-	c1120565
927	C₅H₈	Cyclopentene	c142290
928	C₅H₈	Ethenylcyclopropane	c693867
929	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
930	C₅H₁₀	1-Butene, 2-methyl-	c563462
931	C₅H₁₀	2-Butene, 2-methyl-	c513359
932	C₅H₁₀	2-Pentene, (E)-	c646048
933	C₅H₁₀	2-Pentene, (Z)-	c627203
934	C₅H₁₀	Cyclopentane	c287923
935	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
936	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
937	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
938	C₅H₁₂	Butane, 2-methyl-	buta2
939	C₅H₁₂	Pentane	pentane
940	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
941	Si(CH₃)₄	tetramethylsilane	tms
942	N₂O₃	Dinitrogen trioxide	n2o3
943	C₃H₂N₂	Malononitrile	c3h2n2
944	CH₂N₄	1H-Tetrazole	1htz
945	C₃H₃N₂	imidazolyl radical	im
946	C₃H₃N₂^-	imidizolyl anion	im-
947	C₂H₃N₃	1H-1,2,4-Triazole	c288880
948	C₄H₄N	pyrrolide radical	c4h4n
949	C₄H₄N^-	pyrrolide anion	c4h4n-
950	C₃H₄N₂	1H-Imidazole	1himidaz
951	C₃H₄N₂	1H-Pyrazole	1hpyraz
952	C₃H₄N₂	4H-Imidazole	imid4h
953	C₄H₅N	(E)-2-Butenenitrile	c627269
954	C₄H₅N	(Z)-2-Butenenitrile	c1190767
955	C₄H₅N	2H-pyrrole	pyrrole2
956	C₄H₅N	3H-pyrrole	pyrrole3
957	C₄H₅N	Cyclopropanecarbonitrile	c5500210
958	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
959	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
960	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
961	C₄H₆N⁺	pyrrole, protonated	ppyr
962	C₃H₆N₂	3-Aminopropionitrile	c151188
963	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
964	CH₃CH₂CH₂CN	Butanenitrile	c109740
965	C₅H₈	Bicyclo[2.1.0]pentane	c185944
966	C₅H₈	Spiropentane	c157404
967	C₄H₉N	Cyclobutylamine	cbam
968	C₄H₉N	Pyrrolidine	pyrrolidine
969	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
970	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
971	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
972	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
973	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
974	NH(C₂H₅)₂	diethylamine	dea
975	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
976	C₃O₂⁺	Carbon suboxide cation	c3o2+
977	MgCO₃	Magnesium Carbonate	mgco3
978	BeCO₃	Beryllium Carbonate	beco3
979	ONONO	Nitrosyl nitrite	onono
980	PO₄^---	phosphate	po4---
981	SO₄^--	sulfate	so4--
982	HOONO₂	peroxy nitric acid	hoono2
983	HSO₄^-	bisulfate anion	hso4-
984	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
985	C₃H₂O₂	Propiolic acid	c3h2o2
986	CHOCOOH	oxo acetic acid	oaa
987	H₂SO₄	Sulfuric acid	h2so4
988	H₂SeO₄	Selenic acid	h2seo4
989	C₃H₃NO	Isoxazole	isox
990	C₃H₃NO	Oxazole	oxazole
991	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
992	CH₃NO₃	Methyl nitrate	ch3no3
993	H₃PO₄	Phosphoric Acid	h3po4
994	C₄H₄O	Furan	furan
995	C₄H₄O⁺	Furan cation	furan+
996	C₄H₄S	Thiophene	furans
997	C₃H₄O₂	β–Propiolactone	beta
998	C₃H₄O₂	2-Propenoic acid	propenoic2
999	C₃H₄O₂	Methyl glyoxal	megly
1000	C₃H₄O₂	propanedial	propanedial
1001	C₃H₄O₂	propenalol	propenalol
1002	HOCHCCHOH	allenediol	aldiol
1003	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1004	C₂H₄O₃	trioxolane124	triox
1005	HOCH₂COOH	Hydroxyacetic acid	hac
1006	CH₂CHCONH₂	Acrylamide	c79061
1007	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1008	CH₅N₃S	Hydrazinecarbothioamide	c79196
1009	H₂NCH₂COOH	Glycine	glycine
1010	C₄H₆O	cis-2-butenal	butenal2c
1011	C₄H₆O	Cyclobutanone	cbutone
1012	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1013	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1014	CH₂CHOCHCH₂	Vinyl ether	vinylether
1015	CHOCHCHCH₃	2-Butenal	butenal2
1016	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1017	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1018	C₂H₆N₂O	Urea, methyl-	c598505
1019	C₃H₆O₂	1,3-Dioxolane	dioxolane
1020	CH₃CH₂COOH	Propanoic Acid	propanoic
1021	CH₃COOCH₃	methyl acetate	aame
1022	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1023	C₃H₇NO	dimethylformamide	dmf
1024	C₃H₇NO	Propanamide	propanam
1025	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1026	C₄H₈O	Cyclobutanol	c2919235
1027	C₄H₈O	Furan, tetrahydro-	thf
1028	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1029	CH₃COCH₂CH₃	2-Butanone	buta2one
1030	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1031	CHOCH₂CH₂CH₃	Butanal	butanal
1032	C₃H₈O₂	1,3-Propanediol	c504632
1033	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1034	C₃H₈O₂	Methane, dimethoxy-	c109875
1035	C₃H₈O₂	Propylene glycol	c57556
1036	C₃H₈S₂	1,3-Propanedithiol	c109808
1037	C₄H₁₀O	1-Butanol	butanol1
1038	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1039	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1040	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1041	C₄H₁₀O	Ethoxy ethane	etoet
1042	C₄H₁₀O	Propane, 2-methoxy-	c598538
1043	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1044	C₂H₅SC₂H₅	Diethyl sulfide	etset
1045	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1046	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1047	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1048	FNO₃	Fluorine nitrate	fno3
1049	ClONO₂	Chlorine nitrate	clono2
1050	BrONO₂	Bromine nitrate	brono2
1051	TiCl₄	Titanium tetrachloride	ticl4
1052	ClO₄^-	perchlorate anion	clo4-
1053	BF₄^-	tetrafluoroboron anion	bf4-
1054	ClFO₃	Perchloryl fluoride	clfo3
1055	SO₂F₂	Sulfuryl fluoride	so2f2
1056	SO₂Cl₂	Sulfuryl chloride	so2cl2
1057	F₃NO	Nitrogen trifluoride oxide	f3no
1058	F₃PO	Phosphoryl fluoride	pf3o
1059	Cl₃PO	Phosphoryl chloride	pcl3o
1060	CF₄	Carbon tetrafluoride	cf4
1061	SiF₄	Silicon tetrafluoride	sif4
1062	TiF₄	Titanium tetrafluoride	tif4
1063	CFCl₃	Trichloromonofluoromethane	cfcl3
1064	GeF₄	Germanium tetrafluoride	gef4
1065	CCl₄	Carbon tetrachloride	ccl4
1066	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1067	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1068	SiCl₄	Silane, tetrachloro-	sicl4
1069	CF₃I	trifluoroiodomethane	cf3i
1070	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1071	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1072	GeCl₄	Germanium Tetrachloride	gecl4
1073	CCl₃I	trichloroiodomethane	ccl3i
1074	CFBr₃	fluorotribromomethane	cfbr3
1075	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1076	CF₂I₂	difluorodiiodomethane	cf2i2
1077	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1078	CBr₃I	tribromoiododmethane	cbr3i
1079	CI₄	tetraiodomethane	ci4
1080	SiI₄	silicon tetraiodide	sii4
1081	ClOF₃	Chlorine trifluoride oxide	clof3
1082	C₂HF₃	Trifluoroethylene	c2hf3
1083	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
1084	CHClCCl₂	Trichloroethylene	chclccl2
1085	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1086	HClO₄	perchloric acid	hclo4
1087	HSO₃F	Fluorosulfonic acid	hso3f
1088	CF₃OH	trifluoromethanol	cf3oh
1089	CHClCCHCl	1,3-dichloroallene	chclcchcl
1090	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1091	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1092	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1093	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1094	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1095	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1096	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1097	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1098	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1099	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1100	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1101	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1102	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1103	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1104	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1105	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1106	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1107	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1108	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1109	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1110	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1111	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1112	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1113	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1114	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1115	C₄H₉F	1-fluorobutane	butaf1
1116	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1117	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1118	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1119	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1120	XeF₄	Xenon tetrafluoride	xef4
1121	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1122	C₆H₂	hexatriyne	c6h2
1123	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1124	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1125	C₆H₄	Benzyne	benzyne
1126	C₆H₅	phenyl	phenyl
1127	C₆H₅^-	phenyl anion	phenyl-
1128	C₆H₆	2,4-Hexadiyne	hexadiyne
1129	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1130	C₆H₆	Benzene	benzene
1131	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1132	C₆H₆	Trimethylenecycopropane	tmcp
1133	C₆H₆⁺	Benzene cation	c6h6+
1134	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1135	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1136	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1137	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1138	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1139	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1140	C₆H₈	3-Methylenecyclopentene	c930267
1141	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1142	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1143	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1144	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1145	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1146	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1147	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1148	C₆H₁₀	1,5-Hexadiene	c592427
1149	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1150	C₆H₁₀	1-Hexyne	hexyne1
1151	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1152	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1153	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1154	C₆H₁₀	2-Hexyne	c764352
1155	C₆H₁₀	3-Hexyne	hexyne3
1156	C₆H₁₀	cyclohexene	cyclohexene
1157	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1158	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1159	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1160	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1161	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1162	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1163	C₆H₁₂	(E)-2-Hexene	e2hexene
1164	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1165	C₆H₁₂	(E)-hex-3-ene	e3hexene
1166	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1167	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1168	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1169	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1170	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1171	C₆H₁₂	3-methylenepentane	c760214
1172	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1173	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1174	C₆H₁₂	Cyclohexane	cyclohexane
1175	C₆H₁₂	Cyclopentane, methyl-	c96377
1176	C₆H₁₂	Ethylcyclobutane	c4806615
1177	C₆H₁₂	hex-1-ene	hexene1
1178	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1179	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1180	C₆H₁₄	Hexane	hexane
1181	C₆H₁₄	Pentane, 2-methyl-	penta2
1182	C₆H₁₄	Pentane, 3-methyl-	penta3
1183	C₄N₂	2-Butynedinitrile	c4n2
1184	C₄H₂N₂	Fumaronitrile	c4h2n2
1185	C₂H₂N₄	sym-tetrazine	ttz
1186	C₃H₃N₃	1,3,5-Triazine	triazine135
1187	CH₃N₅	5-Aminotetrazole	c4418615
1188	C₄H₄N₂	1,3-Diazine	diazine13
1189	C₄H₄N₂	Pyrazine	pyrazine
1190	C₄H₄N₂	Pyridazine	pyridazine
1191	C₄H₄N₂	Succinonitrile	c110612
1192	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1193	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1194	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1195	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1196	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1197	C₅H₅N	Pyridine	pyridine
1198	B₃N₃H₆	borazine	borazine
1199	C₆H₆	Fulvene	fulvene
1200	C₅H₆N⁺	Pyridinium	c5h6n
1201	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1202	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1203	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1204	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1205	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1206	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1207	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1208	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1209	C₅H₉N	Pentanenitrile	c110598
1210	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1211	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1212	C₅H₁₁N	Cyclopentanamine	cypentam
1213	C₅H₁₁N	Piperidine	piper
1214	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1215	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1216	Li₂CO₃	Lithium Carbonate	li2co3
1217	Na₂CO₃	Sodium Carbonate	na2co3
1218	C₂O₄^--	oxalate anion	c2o4
1219	C₂H₂O₄	Oxalic Acid	oxalic
1220	C₂H₃NO₃	Oxamic acid	oxamic
1221	C₄H₄O₂	2(5H)-Furanone	furanone
1222	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1223	C₂H₄N₂O₂	Oxalamide	oxalamide
1224	C₂H₄N₂S₂	Ethanedithioamide	c79403
1225	C₂H₄CO₃	Ethylene carbonate	etco3
1226	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1227	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1228	C₂H₄O₄	Formic acid dimer	fadimer
1229	C₄H₅NO	3-Methylisoxazole	isox3m
1230	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1231	C₄H₅NS	4-Methylthiazole	c693958
1232	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1233	C₅H₆O	2-methylfuran	furan2m
1234	C₅H₆O	3-Methylfuran	furan3m
1235	C₅H₆S	Thiophene, 2-methyl-	c554143
1236	C₅H₆S	Thiophene, 3-methyl-	c616444
1237	C₄H₆O₂	2,3-Butanedione	c431038
1238	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1239	C₄H₆O₂	Crotonic Acid	crot
1240	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1241	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1242	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1243	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1244	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1245	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1246	C₄H₆OS	Vinyl sulfoxide	c1115157
1247	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1248	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1249	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1250	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1251	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1252	C₄H₇NO	2-Pyrrolidinone	c616455
1253	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1254	C₄H₇NO	Methacrylamide	c79390
1255	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1256	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1257	C₃H₇ONO	Propyl nitrite	prono
1258	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1259	CH₃CH(NH₂)COOH	Alanine	alanine
1260	CH₃NHCH₂COOH	Sarcosine	sarcosine
1261	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1262	NH₂COOC₂H₅	Urethane	urethane
1263	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1264	C₅H₈O	Cyclopentanone	c120923
1265	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1266	C₅H₈O	Methyl cyclopropyl ketone	c765435
1267	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1268	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1269	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1270	C₄H₈O₂	1,3-Dioxane	dioxan13
1271	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1272	C₄H₈O₂	1,4-Dioxane	dioxan14
1273	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1274	C₄H₈O₂	Ethyl acetate	c141786
1275	C₄H₈OS	s-Ethyl thioacetate	c625605
1276	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1277	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1278	C₄H₉NO	Butanamide	c541355
1279	C₄H₉NO	Propanamide, 2-methyl-	c563837
1280	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1281	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1282	C₅H₁₀O	2-methylbutyraldehyde	2meba
1283	C₅H₁₀O	2-Pentanone	mpk
1284	C₅H₁₀O	Cyclopentanol	c96413
1285	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1286	C₅H₁₀O	Pentanal	pal
1287	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1288	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1289	C₅H₁₀S	Cyclopentanethiol	c1679078
1290	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1291	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1292	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1293	C₄H₁₀O₂	1,3-Butanediol	budiol13
1294	C₄H₁₀O₂	1,4-Butanediol	budiol14
1295	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1296	C₄H₁₀OS	Diethyl sulfoxide	c70291
1297	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1298	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1299	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1300	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1301	C₅H₁₂O	1-Pentanol	pentanol1
1302	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1303	C₅H₁₂O	2-Pentanol	peol2
1304	C₅H₁₂O	3-Pentanol	pentan3ol
1305	C₅H₁₂O	Butane, 1-methoxy-	meobu
1306	C₅H₁₂O	Propane, 1-ethoxy-	proet
1307	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1308	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1309	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1310	C₅H₁₂S	1-Pentanethiol	c110667
1311	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1312	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1313	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1314	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1315	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1316	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1317	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1318	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1319	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1320	B₂F₄	Diboron tetrafluoride	b2f4
1321	B₂Cl₄	Diboron tetrachloride	b2cl4
1322	C₂F₄	Tetrafluoroethylene	c2f4
1323	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1324	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1325	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1326	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1327	C₂FCl₃	fluorotrichloroethene	c2fcl3
1328	C₂Cl₄	Tetrachloroethylene	c2cl4
1329	CF₃OF	Trifluoromethylhypofluorite	cf3of
1330	SOF₄	Sulfur tetrafluoride oxide	sof4
1331	PF₅	Phosphorus pentafluoride	pf5
1332	AsF₅	Arsenic pentafluoride	asf5
1333	PCl₅	Phosphorus pentachloride	pcl5
1334	SF₅	Sulfur pentafluoride	sf5
1335	SF₅⁺	pentafluoro sulfur cation	sf5+
1336	SbCl₅	Antimony pentachloride	sbcl5
1337	BrF₅	bromine pentafluoride	brf5
1338	ClF₅	chlorinepentafluoride	clf5
1339	IF₅	pentafluoroiodine	if5
1340	CF₃CHO	trifluoroacetaldehyde	cf3cho
1341	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1342	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1343	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1344	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1345	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1346	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1347	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1348	CF₃COOH	trifluoroacetic acid	cf3cooh
1349	C₄H₃ClO	Furan, 2-chloro	fur2cl
1350	C₄H₃ClO	Furan,3-chloro	fur3cl
1351	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1352	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1353	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1354	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1355	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1356	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1357	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1358	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1359	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1360	C₄H₈O₂	Butanoic acid	bua
1361	C₆H₅CH₂	benzyl radical	benzyl
1362	C₆H₅CH₃	toluene	toluene
1363	C₇H₈	cycloheptatriene	cht
1364	C₇H₈	Norbornadiene	norbor
1365	C₇H₈	Quadricyclane	qucy
1366	C₇H₁₂	Norbornane	nor
1367	C₇H₁₄	cycloheptane	c7h14
1368	C₇H₁₆	2-methylhexane	2mhex
1369	C₇H₁₆	3-methylhexane	hex3m
1370	C₇H₁₆	heptane	heptane
1371	C₆H₇N	2-Methylpyridine	mp
1372	C₆H₅NH₂	aniline	aniline
1373	C₆H₁₃N	2-Methylpiperidine	pip2m
1374	C₆H₁₃N	cyclohexanamine	cham
1375	C₆H₁₅N	triethylamine	tea
1376	N₂O₅	Dinitrogen pentoxide	n2o5
1377	C₄H₂O₃	Maleic Anhydride	malan
1378	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1379	C₅H₄O₂	furfural	furfural
1380	C₆H₅O	phenoxy radical	phenoxy
1381	C₅H₅NO	2(1H)-Pyridinone	c72762006
1382	C₅H₅NO	2(3H)-Pyridinone	c9000048
1383	C₅H₅NO	2(5H)-Pyridinone	c9000037
1384	C₅H₅NO	2-Pyridinol	c109104
1385	C₅H₅NO	3(2H)-Pyridinone	c9000004
1386	C₅H₅NO	3(4H)-Pyridinone	c9000026
1387	C₅H₅NO	3(6H)-Pyridinone	c9000015
1388	C₅H₅NO	3-Pyridinol	c109002
1389	C₅H₅NO	4(1H)-Pryidinone	c9000060
1390	C₅H₅NO	4(3H)-Pryidinone	c9000059
1391	C₅H₅NO	4-Pyridinol	c626642
1392	C₆H₅OH	phenol	phenol
1393	C₆H₆O	2,4-Cyclohexadienone	c24599573
1394	C₆H₆O	2,5-Cyclohexadienone	c5664335
1395	C₆H₅SH	Benzenethiol	phsh
1396	HO₂CCHNH₂CH₂OH	Serine	serine
1397	C₅H₈O₂	Acetylacetone	acac
1398	C₄H₈O₂S	Sulfolane	sulfolane
1399	CH(C₂H₃)₃	trivinyl methane	tvm
1400	C₆H₁₀O	cyclohexanone	chexo
1401	C₆H₁₂O	hexanal	c6h12o
1402	C₆H₁₂O	Oxepane	oxepane
1403	C₃H₇OC₃H₇	di-n-propyl ether	propr
1404	F₂CCCF₂	tetrafluoroallene	pfa
1405	CF₃COO^-	trifluoro acetate anion	cf3coo-
1406	CF₃COF	trifluoroacetyl fluoride	cf3cof
1407	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1408	PF₆	Hexafluorophosphate neutral	pf6
1409	PF₆^-	Hexafluorophosphate ion	pf6-
1410	SeF₆	Selenium hexafluoride	sef6
1411	SF₅Cl	sulfur chloropentafluoride	sf5cl
1412	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1413	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1414	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1415	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1416	C₆H₅F	Fluorobenzene	bzf
1417	C₆H₅Cl	chlorobenzene	bzcl
1418	C₆H₅Br	bromobenzene	bzbr
1419	C₈H₆	Calicene	calicene
1420	C₆H₅CCH	phenylacetylene	phac
1421	C₈H₆	benzocyclobutadiene	bcbd
1422	C₈H₆	Pentalene	pentalene
1423	C₆H₅CHCH₂	Styrene	styrene
1424	C₈H₈	cubane	cubane
1425	C₈H₈	cyclooctatetraene	cot
1426	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1427	CH₃C₆H₄CH₃	meta-xylene	mxylene
1428	CH₃C₆H₄CH₃	paraxylene	pxylene
1429	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1430	C₈H₁₆	cyclooctane	cyclooct
1431	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1432	C₈H₁₈	Octane	c8h18
1433	C₆H₅CN	phenyl cyanide	phcn
1434	C₆H₁₂N₂	Triethylenediamine	ted
1435	C₄O₄^--	squarate dianion	c4o4--
1436	S₈	Octasulfur	s8
1437	C₆H₄O₂	parabenzoquinone	pbq
1438	C₄H₄N₂O₂	Uracil	uracil
1439	C₆H₅OCH₃	Anisole	anisole
1440	C₅H₉NO₂	Proline	proline
1441	C₆H₁₂O₂	Methyl pivalate	c598981
1442	C₆H₁₂O₂	Hexanoic acid	hexa
1443	C₄F₄	tetrafluorcyclobutadiene	c4f4
1444	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1445	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1446	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1447	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1448	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1449	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1450	C₂F₆	hexafluoroethane	c2f6
1451	IF₇	Iodine heptafluoride	if7
1452	C₆H₄F₂	metadifluorobenzene	mdfb
1453	C₆H₄F₂	orthodifluorobenzene	odfb
1454	C₆H₄F₂	1,4-difluorobenzene	pdfb
1455	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1456	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1457	C₉H₈	Indene	indene
1458	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1459	C₉H₁₂	n-propyl benzene	prbz
1460	C₉H₂₀	Nonane	nonane
1461	C(CN)₄	tetracyanomethane	c5n4
1462	C₅H₄N₄	purine	purine
1463	C₈H₇N	Indole	indole
1464	C₃H₃N₃O₃	cyanuric acid	cyanuric
1465	C₆H₅NO₂	Nitrobenzene	c6h5no2
1466	C₆H₅COOH	benzoic acid	benzo
1467	CH₃COC₆H₅	acetophenone	acph
1468	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1469	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1470	C₁₀H₈	Azulene	azu
1471	C₁₀H₈	naphthalene	naph
1472	C₁₀H₁₆	adamantane	adamantane
1473	C₆N₄	Tetracyanoethylene	tcne
1474	C₆N₄^-	tetracyanoethylene anion	tcne-
1475	C₁₀H₂₂	Decane	decane
1476	C₄F₆	perfluorobutadiene	c4f6
1477	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1478	C₃F₈	perfluoropropane	c3f8
1479	Fe(CO)₅	Iron pentacarbonyl	ipc
1480	Fe(C₅H₅)₂	ferrocene	fecp2
1481	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1482	C₁₂H₈	Acenaphthylene	acenaph
1483	C₁₂H₈	biphenylene	biph
1484	C₁₂H₁₀	biphenyl	biphenyl
1485	C₁₂H₁₀	Heptalene	heptalene
1486	C₆H₁₂O₆	Inositol	inositol
1487	C₆F₆	hexafluorobenzene	c6f6
1488	C₁₃H₁₀	Fluorene	fluorene
1489	C₁₄H₁₀	Anthracene	anth
1490	C₁₄H₁₀	Phenanthrene	phenanthrene
1491	C₁₄H₁₄	Bibenzyl	bibenzyl
1492	C₁₂H₁₀N₂	azobenzene	azobenzene
1493	C₆H₅COC₆H₅	benzophenone	benzophenone
1494	C₁₆H₁₀	Pyrene	pyrene
1495	C₁₈H₁₂	Tetracene	tetracene
1496	C₁₉H₁₆	Triphenylmethane	tpm
1497	C₂₄H₁₂	Coronene	coronene
1498	C₆₀	Buckminsterfullerene	c60

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

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
XIII	Vibrations
XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities