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

List of which calculations are completed at TPSSh /aug-cc-pVQZ

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
4	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
5	He	Helium atom	¹S	K_h
6	He	Helium atom
7	He⁺	Helium atom cation	²S	K_h
8	HeH⁺	Helium hydride cation	¹Σ	C_∞v
9	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
10	Li^-	Lithium atom anion	¹S	K_h
11	LiH⁺	lithium hydride cation	²Σ	C_∞v
12	MgH	magnesium monohydride	²Σ	C_∞v
13	ZnH⁺	Zinc, protonated
14	BeH₂⁺	Beryllium dihydride cation
15	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
16	Al	Aluminum atom	²P	K_h
17	Al^-	Aluminum atom anion	³P	K_h
18	Al⁺	Aluminum atom cation	¹S	K_h
19	Ga	Gallium atom	²P
20	Ga^-	Gallium atom anion	³P	O_h
21	Ga⁺	Gallium atom cation	¹S
22	GaH	Gallium monohydride	¹Σ	C_∞v
23	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
24	BH₃⁺	boron trihydride cation	²B₂	C_2v
25	BH₃⁺	boron trihydride cation		C_2v
26	AlH₃^-	aluminum trihydride anion		C_3v
27	BH₄	borohydride	²B₂	C_2v
28	BH₄^-	borohydride anion	¹A₁	T_d
29	C	Carbon atom	³P₀	K_h
30	Si^-	Silicon atom anion	⁴S	K_h
31	Ge	Germanium atom	³P	K_h
32	Ge^-	Germanium anion	⁴S	K_h
33	Ge⁺	Germanium cation	²P	K_h
34	CH	Methylidyne	²Π_1/2	C_∞v
35	SiH	Silylidyne	²Π	C_∞v
36	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
37	GeH	germylidene	²Π	C_∞v
38	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
39	CH₂^-	methylene anion	²B₁	C_2v
40	GeH₂	germylene	¹A₁	C_2v
41	CH₃	Methyl radical	²A₁	D_3h
42	SiH₃	Silyl radical	²A₁	C_3v
43	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
44	GeH₃	Germyl radical	²A₁	C_3v
45	GeH₃⁺	germyl cation	¹A₁^'	D_3h
46	CH₄	Methane	¹A₁	T_d
47	SiH₂D₂	silane-d2
48	SiH₄	Silane	¹A₁	T_d
49	GeH₄	Germane	¹A₁	T_d
50	SiH₅⁺	Silane, protonated
51	N	Nitrogen atom	⁴S	K_h
52	P	Phosphorus atom	⁴S	K_h
53	V⁺	Vanadium atom cation	⁵D	K_h
54	As	Arsenic atomic	⁴S	K_h
55	As^-	Arsenic anion	³P	K_h
56	As⁺	Arsenic cation	³P	K_h
57	PH	phosphorus monohydride	³Σ^-	C_∞v
58	AsH	Arsenic monohydride	³Σ	C_∞v
59	NH₂	Amino radical	²B₁	C_2v
60	NH₂⁺	Amino cation	³B₁	C_2v
61	NH₂⁺	Amino cation	¹A₁	C_2v
62	NH₃	Ammonia	¹A₁	C_3v
63	PH₃	Phosphine	¹A₁	C_3v
64	PH₃⁺	Phosphine cation	²A₁	C_3v
65	AsH₃	Arsine	¹A₁	C_3v
66	AsH₃⁺	Arsine cation	²A₁	C_3v
67	AsH₄⁺	Arsonium
68	NH₄	Ammonium radical
69	NH₄⁺	ammonium cation	¹A₁	T_d
70	PH₄	Phosphoranyl radical
71	PH₄⁺	phosphonium cation
72	O	Oxygen atom	³S	K_h
73	S	Sulfur atom	³P	K_h
74	S	Sulfur atom
75	S^-	Sulfur atom anion	²P	K_h
76	S⁺	Sulfur atom cation	⁴S	K_h
77	Se	Selenium atom	³P	K_h
78	Se^-	Selenium atom anion	²P	K_h
79	Se⁺	Selenium atom cation	⁴S	K_h
80	OH	Hydroxyl radical	²Π	C_∞v
81	OH^-	hydroxide anion	¹Σ	C_∞v
82	OH⁺	hydoxyl cation	³Σ	C_∞v
83	HS^-	mercapto anion	¹Σ	C_∞v
84	HS⁺	sulfur monohydride cation	³Σ	C_∞v
85	CrH	Chromium hydride	⁶Σ	C_∞v
86	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
87	HSe	Selenium monohydride	²Π	C_∞v
88	HSe^-	selenium monohydride anion	¹Σ	C_∞v
89	HSe⁺	selenium monohydride cation	³Σ	C_∞v
90	H₂O	Water	¹A₁	C_2v
91	H₂O^-	water anion	²A₁	C_2v
92	H₂O^-	water anion	²A^'	C_s
93	H₂O⁺	water cation	²B₁	C_2v
94	HDO	Water-d1	¹A₁	C_2v
95	H₂S	Hydrogen sulfide	¹A₁	C_2v
96	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
97	H₂Se	Hydrogen selenide	¹A₁	C_2v
98	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
99	H₃O⁺	hydronium cation	¹A₁	C_3v
100	H₃S⁺	Sulfonium cation	¹A₁	C_3v
101	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
102	F	Fluorine atom	²P	K_h
103	F^-	Fluorine atom anion	¹S	K_h
104	F⁺	Fluorine atom cation	³S	K_h
105	F⁺	Fluorine atom cation	¹D	K_h
106	Cl	Chlorine atom	²P	K_h
107	Cl^-	Chlorine atom anion	¹S	K_h
108	Cl⁺	Chlorine atom cation	³P	K_h
109	Cl⁺	Chlorine atom cation	¹D	K_h
110	Br	Bromine atom	²P	K_h
111	Br^-	Bromine atom anion	¹S	K_h
112	Br⁺	Bromine atom cation	³P	K_h
113	HF	Hydrogen fluoride	¹Σ	C_∞v
114	HF^-	hydrogen fluoride anion	²Σ	C_∞v
115	HF⁺	hydrogen fluoride cation	²Π	C_∞v
116	HCl	Hydrogen chloride	¹Σ	C_∞v
117	HCl^-	hydrogen chloride anion	²Σ	C_∞v
118	HCl⁺	hydrogen chloride cation	²Π	C_∞v
119	HBr	hydrogen bromide	¹Σ	C_∞v
120	HBr^-	hydrogen bromide anion	²Σ	C_∞v
121	HBr⁺	hydrogen bromide cation	²Π	C_∞v
122	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
123	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
124	Ne	Neon atom
125	Kr	Krypton atom	¹S	K_h
126	Kr⁺	Krypton cation	²P	K_h
127	HeLi⁺	Helium Lithium cation
128	ArH⁺	Argon hydride cation	¹Σ	C_∞v
129	KrH⁺	Protonated Krypton	¹Σ	C_∞v
130	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
131	NaLi	lithium sodium	¹Σ	C_∞v
132	Na₂	Sodium diatomic	¹Σ_g	D_∞h
133	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
134	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
135	LiAl	Lithium Aluminum
136	NaAl	Sodium aluminum	¹Σ	C_∞v
137	BGa	Boron Gallium	³Σ	C_∞v
138	AlGa	Aluminum Gallium	³Σ	C_∞v
139	AlGa	Aluminum Gallium	¹Σ	C_∞v
140	HBBH	Diborane(2)	³Σ_G	D_∞h
141	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
142	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
143	B₂H₆	Diborane	¹A_g	D_2h
144	B₂H₆⁺	Diborane cation
145	BSi	Boron silicide	⁴Σ	C_∞v
146	BSi	Boron silicide	²Σ	C_∞v
147	GeC	Germanium monocarbide	¹Σ	C_∞v
148	SiGe	Silicon Germanium
149	C₂H	Ethynyl radical	²Σ	C_∞v
150	C₂H^-	Ethynyl anion	¹Σ	C_∞v
151	C₂H₂	Acetylene	¹Σ_g	D_∞h
152	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
153	C₂H₂⁺	acetylene cation
154	H₂CC^-	vinylidene anion
155	Si₂H₂	disilyne
156	Si₂H₂	disilyne
157	Si₂H₂	disilyne
158	Si₂H₂	disilyne
159	CH₃Li	methyl lithium	¹A₁	C_3v
160	CH₂BH	methyleneborane	¹A₁	C_2v
161	C₂H₃	vinyl	²A^'	C_s
162	C₂H₃^-	vinyl anion	¹A^'	C_s
163	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
164	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
165	C₂H₄	Ethylene	¹A_g	D_2h
166	C₂H₄⁺	Ethylene cation	²B₃	D₂
167	Si₂H₄	Disilene
168	Si₂H₄	Disilene
169	Si₂H₄	Disilene
170	CH₃BH₂	methylborane	¹A^'	C_s
171	C₂H₅	Ethyl radical	²A^'	C_s
172	C₂H₆	Ethane	¹A_1g	D_3d
173	Si₂H₆	disilane	¹E_u	D_3d
174	LiN	Lithium Nitride	³Σ	C_∞v
175	LiP	Lithium monophosphide
176	LiP	Lithium monophosphide
177	MgN	Magnesium Nitride
178	MgN	Magnesium Nitride
179	BP	Boron monophosphide	³Π	C_∞v
180	BP	Boron monophosphide	¹Σ	C_∞v
181	GaP	Gallium monophosphide	³Σ	C_∞v
182	GaP	Gallium monophosphide	¹Σ	C_∞v
183	GaAs	Gallium arsenide	³Π
184	GaAs	Gallium arsenide	¹Σ
185	CN	Cyano radical	²Σ	C_∞v
186	SiP	Silicon monophosphide	²Π	C_∞v
187	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
188	N₂	Nitrogen diatomic
189	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
190	PN	Phosphorus mononitride	¹Σ	C_∞v
191	HCN	Hydrogen cyanide	¹Σ	C_∞v
192	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
193	HNC⁺	hydrogen isocyanide cation
194	HCP⁺	Phosphaethyne cation
195	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
196	LiNH₂	lithium amide
197	HBNH	Boranimine	¹Σ	C_∞v
198	H₂NN	Isodiazene
199	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
200	CH₂NH	Methanimine	¹A^'	C_s
201	CH₂NH⁺	Methanimine cation
202	CHNH₂	aminomethylene
203	CHNH₂⁺	Aminocarbene cation
204	BH₂NH₂	Boranamine
205	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
206	N₂H₄	Hydrazine	¹A	C₂
207	CH₃NH₂	methyl amine	¹A^'	C_s
208	SiH₃NH₂	Silane, amino
209	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
210	BH₃PH₃	borane phosphine
211	BH₃NH₃	borane ammonia	¹A₁	C_3v
212	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
213	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
214	N₂H₇⁺	ammonia ammonium dimer
215	LiSe	Lithium monoselenide
216	BO	boron monoxide	²Σ	C_∞v
217	GaO	Gallium monoxide	²Σ	C_∞v
218	GaS	Gallium monosulfide
219	CO	Carbon monoxide	¹Σ	C_∞v
220	CO^-	carbon monoxide anion	²Π	C_∞v
221	CO⁺	carbon monoxide cation	²Σ	C_∞v
222	SiO	Silicon monoxide	¹Σ	C_∞v
223	SiS	silicon monosulfide	¹Σ	C_∞v
224	CSe	Carbon monoselenide	¹Σ	C_∞v
225	GeO	Germanium monoxide	¹Σ	C_∞v
226	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
227	GeS	Germanium monosulfide	¹Σ	C_∞v
228	SiSe	Silicon Monoselenide
229	SiSe⁺	Silicon Monoselenide cation
230	GeSe	Germanium monoselenide
231	NO	Nitric oxide	²Π	C_∞v
232	NO^-	nitric oxide anion	³Σ	C_∞v
233	NO⁺	nitric oxide cation	¹Σ	C_∞v
234	NS	Mononitrogen monosulfide	²Π	C_∞v
235	PO	Phosphorus monoxide	²Π	C_∞v
236	PS	phosphorus sulfide	²Σ	C_∞v
237	NSe	Nitrogen monoselenide	²Π	C_∞v
238	AsS	Arsenic monosulfide	²Π	C_∞v
239	PSe	Phosphorus monoselenide	²Π	C_∞v
240	AsSe	Arsenic monoselenide	²Π	C_∞v
241	O₂	Oxygen diatomic	³Σ_g	D_∞h
242	O₂^-	oxygen diatomic anion	²Π	D_∞h
243	O₂^--	dioxygen dianion
244	SO	Sulfur monoxide	³Σ	C_∞v
245	SO	Sulfur monoxide	¹Σ	C_∞v
246	SO⁺	sulfur monoxide cation	²Π	C_∞v
247	S₂	Sulfur diatomic	³Σ_g	D_∞h
248	SeO	Selenium monoxide	³Σ	C_∞v
249	Se₂	Selenium diatomic	³Σ_g	D_∞h
250	LiOH	lithium hydroxide	¹Σ	C_∞v
251	BeOH	beryllium monohydroxide	²A^'	C_s
252	HBO	Boron hydride oxide	¹Σ	C_∞v
253	HBS	hydrogen boron sulfide	¹Σ	C_∞v
254	COH	Hydroxymethylidyne
255	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
256	HCO	Formyl radical	²A^'	C_s
257	HCO^-	formyl anion	¹A^'	C_s
258	HCO⁺	Formyl cation	¹Σ	C_∞v
259	HNO	Nitrosyl hydride	¹A^'	C_s
260	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
261	NOH	Hydroxyimidogen	³A^"	C_s
262	NOH⁺	O-protonated nitric oxide	²A^'	C_s
263	HO₂⁺	Hydroperoxy cation	³A^"	C_s
264	HSO⁺	Sulfur Monoxide, S-protonated
265	SOH	Sulfur Hydroxide
266	SOH⁺	Sulfur Monoxide, protonated
267	H₂CO	Formaldehyde	¹A₁	C_2v
268	H₂CO^-	formaldehyde anion	²A^'	C_s
269	H₂CO^-	formaldehyde anion
270	H₂CO⁺	formaldehyde cation	²B₂	C_2v
271	H₂CS	Thioformaldehyde	¹A₁	C_2v
272	H₂CS^-	thioformaldehyde anion
273	H₂CS^-	thioformaldehyde anion
274	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
275	H₂CSe	Selenoformaldehyde
276	H₂O₂	Hydrogen peroxide	¹A	C₂
277	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
278	H₂OO	water oxide
279	HOSH	hydrogen thioperoxide
280	H₂S₂	Disulfane	¹A	C₂
281	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
282	H₂Se₂	hydrogen diselenide
283	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
284	CH₃O^-	methoxy anion	¹A₁	C_3v
285	CH₃O⁺	Methoxy cation	³A₁	C_3v
286	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
287	NH₂OH	hydroxylamine	¹A^'	C_s
288	NH₂OH⁺	Hydroxylamine cation
289	NH₂SH	Thiohydroxylamine
290	CH₃OH	Methyl alcohol	¹A^'	C_s
291	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
292	CH₃SH	Methanethiol	¹A^'	C_s
293	CH₃SH⁺	Methanethiol cation	²A^"	C_s
294	SiH₃OH	silanol
295	NH₂OH₂⁺	protonated hydroxylamine
296	NH₃OH⁺	N-protonated hydroxylamine
297	H₂OH₂O	water dimer	¹A^'	C_s
298	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
299	LiF	lithium fluoride	¹Σ	C_∞v
300	LiCl	lithium chloride	¹Σ	C_∞v
301	NaF⁺	sodium fluoride cation	²Σ	C_∞v
302	LiBr	Lithium Bromide	¹Σ	C_∞v
303	LiF⁺	lithium fluoride cation	²Π	C_∞v
304	ZnF	Zinc monofluoride	²Σ	C_∞v
305	BF	Boron monofluoride	¹Σ	C_∞v
306	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
307	GaF	Gallium monofluoride	¹Σ	C_∞v
308	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
309	AlBr	Aluminum monobromide
310	GaCl	Gallium monochloride	¹Σ_G	C_∞v
311	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
312	GaBr	Gallium monobromide
313	CF	Fluoromethylidyne	²Π	C_∞v
314	SiF	silicon monofluoride	²Π	C_∞v
315	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
316	SiCl	Clorosilylidyne	²Π	C_∞v
317	CBr	Carbon monobromide	²Π	C_∞v
318	GeF	Germanium monofluoride	²Π	C_∞v
319	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
320	GeCl	Germanium monochloride	²Π	C_∞v
321	GeCl⁺	Germanium monochloride cation
322	SiBr	Silicon monobromide	²Π	C_∞v
323	SiBr⁺	Silicon monobromide cation
324	NCl	nitrogen monochloride	³Σ	C_∞v
325	AsCl	Arsenic monochloride	³Σ	C_∞v
326	PBr	Phosphorus monobromide
327	ClO	Monochlorine monoxide	²Π	C_∞v
328	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
329	SF	Monosulfur monofluoride	²Π	C_∞v
330	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
331	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
332	BrO	Bromine monoxide	²Π	C_∞v
333	BrO⁺	Bromine monoxide cation
334	SBr	Sulfur monobromide radical
335	SBr⁺	Sulfur monobromide cation
336	SeCl	Selenium monochloride	²Π	C_∞v
337	SeBr	Selenium monobromide
338	BrCl	Bromine monochloride	¹Σ	C_∞v
339	F₂	Fluorine diatomic	¹Σ_g	D_∞h
340	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
341	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
342	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
343	ClF⁺	clorine monofluoride cation	²Π	C_∞v
344	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
345	BrF	Bromine monofluoride	¹Σ	C_∞v
346	Br₂	Bromine diatomic	¹Σ_g	D_∞h
347	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
348	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
349	HCF	Fluoromethylene	¹A^'	C_s
350	HCF	Fluoromethylene	³A^"	C_s
351	HSiF	fluorosilylene
352	HSiCl	Chlorosilylene
353	HSiBr	monobromosilylene
354	HOF	Hypofluorous acid	¹A^'	C_s
355	HOCl	hypochlorous acid	¹A^'	C_s
356	HOCl⁺	hypochlorous acid cation
357	F₂H⁺	Fluorine, protonated	¹A^'	C_s
358	ClFH⁺	Chlorine fluoride, F-protonated
359	FClH⁺	Chlorine fluoride, Cl-protonated
360	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
361	CH₂Br	bromomethyl radical
362	CH₂F	fluoromethyl radical	²A	C_s
363	CH₂F⁺	fluoromethyl cation
364	CH₂Cl⁺	chloromethyl cation
365	CH₂Cl	chloromethyl radical	²A^'	C_s
366	CH₂Cl	chloromethyl radical	²B₁	C_2v
367	NH₂Cl	chloramine	¹A^'	C_s
368	CH₃F⁺	methyl fluoride cation
369	CH₃F	Methyl fluoride	¹A₁	C_3v
370	CH₃Cl	Methyl chloride	¹A₁	C_3v
371	CH₃Cl⁺	Methyl chloride cation
372	SiH₃F	monofluorosilane	¹A₁	C_3v
373	SiH₃Cl	chlorosilane	¹A₁	C₁
374	CH₃Br	methyl bromide	¹A₁	C_3v
375	GeH₃F	monofluorogermane
376	GeH₃Cl	monochlorogermane
377	NH₃Cl⁺	protonated monochloroammonia
378	CH₃ClH⁺	methyl chloride, protonated
379	NH₄Cl	Ammonium chloride
380	LiNe⁺	Lithium Neon cation
381	Ar₂	Argon diatomic	¹S_g	D_∞h
382	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
383	C₃	carbon trimer	¹Σ_g	D_∞h
384	C₃	carbon trimer	¹A₁	C_2v
385	SiC₂	Silicon dicarbide
386	C₃H₄	cyclopropene	¹A₁	C_2v
387	CH₂CCH₂	allene	¹A₁	D_2d
388	CH₃CCH	propyne	¹A^'	C_3v
389	C₃H₆	Cyclopropane	¹A₁^'	D_3h
390	CH₂CHCH₃	Propene	¹A^'	C_s
391	C₃H₇	n-Propyl radical	²A^"	C₁
392	C₃H₇⁺	cyclopropane, protonated
393	CH₃CHCH₃	Isopropyl radical	²A	C₂
394	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
395	C₃H₈	Propane	¹A₁	C_2v
396	Si₃H₈	trisilane
397	LiCN	lithium cyanide	¹Σ	C*V LiCN
398	ZnCN	Zinc monocyanide	²Σ	C_∞v
399	ZnNC	Zinc isocyanide	²Σ	C_∞v
400	AlCN	Aluminum monocyanide
401	AlNC	Aluminum isocyanide
402	CNN	Diazocarbene
403	N₃	azide radical	²Π_g	D_∞h
404	N₃⁺	azide cation	³Σ	C_∞v
405	HN₃	hydrogen azide	¹A^'	C_s
406	HN₃⁺	Hydrazoic acid cation
407	HNCNH	diiminomethane	¹A	C₂
408	HNNNH⁺	1,2-Triazadienium
409	NH₂NN⁺	hydrazoic acid, protonated
410	CH₃CN	Acetonitrile	¹A₁	C_3v
411	HCNCH₂⁺	2H-Azirine cation
412	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
413	NH₂CNH⁺	cyanamide, cn protonated
414	NH₃CN⁺	cyanamide, amine protonated
415	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
416	CH₃CH₂NH₂	Ethylamine
417	Li₂O	dilithium oxide	¹Σ_g	D_∞h
418	Na₂O	disodium monoxide	¹Σ_g	Linear
419	Na₂O	disodium monoxide	¹A₁	C_2v
420	Na₂S	Sodium sulfide
421	Na₂S	Sodium sulfide
422	LiO₂	Lithium dioxide
423	NaO₂	Sodium superoxide
424	NCO	isocyanato radical	²Π	C_∞v
425	N₂O	Nitrous oxide	¹Σ	C_∞v
426	CO₂	Carbon dioxide	¹Σ_g	D_∞h
427	OCS	Carbonyl sulfide	¹Σ	C_∞v
428	CS₂	Carbon disulfide	¹Σ_g	D_∞h
429	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
430	OCSe	Carbonyl selenide	¹Σ	C_∞v
431	SCSe	Carbon sulfide selenide
432	NO₂	Nitrogen dioxide	²A₁	C_2v
433	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
434	NSO	sulfinyl amidogen
435	SNO	Nitrogen oxide sulfide
436	O₃	Ozone	¹A₁	C_s
437	SO₂	Sulfur dioxide	¹A₁	C_2v
438	SSO	Disulfur monoxide	¹A^'	C_s
439	S₃	Sulfur trimer	¹A₁	C_2v
440	S₃	Sulfur trimer
441	SeO₂	Selenium dioxide	¹A₁	C_2v
442	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
443	HCCO	ketenyl radical	²Π	C_∞v
444	HCCO	ketenyl radical	²A^"	C_s
445	HCNO	fulminic acid	¹Σ	C_∞v
446	HOCO	Hydrocarboxyl radical	¹A^'	cis
447	HOCO	Hydrocarboxyl radical	¹A^'	trans
448	O₃H⁺	protonated ozone	¹A^'	C_s
449	O₃H⁺	protonated ozone
450	C₂H₂O	Oxirene	¹A₁	C_2v
451	CH₂CO	Ketene	¹A₁	C_2v
452	CH₂CS	Thioketene
453	Be(OH)₂	Beryllium hydroxide
454	H₂COO	Dioxymethyl radical	²A^'	C_s
455	H₂COO⁺	dioxymethyl cation	²A^'	C_s
456	HCOOH	Formic acid	¹A^'	C_s
457	HCOOH	Formic acid
458	BH₃CO	Borane carbonyl	¹A₁	C_3v
459	CH₂COH⁺	ketene, protonated
460	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
461	NHCHSH	Methanimidothioic acid
462	C₂H₄O	Ethylene oxide	¹A₁	C_2v
463	C₂H₄O⁺	ethylene oxide cation
464	CH₃CHO	Acetaldehyde	¹A^'	C_s
465	CH₃CHO⁺	acetaldehyde cation
466	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
467	C₂H₄S	Thiirane	¹A₁	C_2v
468	CH₂CHSH	Ethenethiol
469	NH₂CHOH⁺	Formamide, O-protonated
470	CH₃SSH	Hydrogen methyl disulfide
471	HSCH₂SH	Methanedithiol
472	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
473	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
474	CH₃CH₂OH	Ethanol	¹A^'	C_s
475	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
476	CH₃CH₂SH	ethanethiol	¹A^'	C_s
477	CH₃CH₂SH	ethanethiol	¹A	C₁
478	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
479	CH₃SCH₃⁺	dimethyl sulfide cation
480	CNF	iso cyanogen fluoride	¹Σ	C_∞v
481	BrCN	Cyanogen bromide	¹Σ	C_∞v
482	FBO	Boron monofluoride monoxide
483	BeBr₂	Beryllium bromide
484	BF₂	Boron difluoride radical	²A₁	C_2v
485	FNO	Nitrosyl fluoride	¹A^'	C_s
486	ClNO	Nitrosyl chloride	¹A^'	C_s
487	FNS	Thionitrosyl fluoride	¹A^'	C_s
488	FSN	Thiazyl fluoride	¹A^'	C_s
489	OPCl	Phosphorus oxychloride
490	CF₂	Difluoromethylene	¹A₁	D_∞h
491	CFCl	chlorofluoromethylene	¹A^'	C_s
492	SiF₂	Silicon difluoride	¹A₁	C_2v
493	GeCl₂	Germanium dichloride	¹A₁	C_2v
494	FOO⁺	Fluorine dioxide cation
495	OClO	Chlorine dioxide	²B₁	D_∞h
496	OClO^-	Chlorine dioxide anion	¹A^'	C_s
497	ClSO	Sulfur chloride oxide	²A^"	C_s
498	BrOO	Bromine dioxide
499	OBrO	Bromine dioxide radical	²B₁	C_2v
500	PF₂	Phosphorus difluoride
501	PF₂⁺	Phosphorus difluoride cation
502	FClO	chlorosyl fluoride	¹A^'	C_s
503	ClOF	Chlorine hypofluorite	¹A^'	C_s
504	SF₂	sulfur difluoride	¹A₁	C_2v
505	SeF₂	Selenium difluoride
506	SeCl₂	Selenium Dichloride
507	SBr₂	Sulfur dibromide
508	SeBr₂	Selenium dibromide
509	Br₃^-	tribromide anion
510	SFCl	Sulfur chloride fluoride
511	HCCF	Fluoroacetylene	¹Σ	C_∞v
512	CHF₂	difluoromethyl radical	²A	C_s
513	CHF₂⁺	difluoromethyl cation
514	CHFCl	Chlorofluoromethyl radical
515	CHFCl⁺	Chlorofluoromethyl cation
516	CHCl₂⁺	dichloromethyl cation
517	NHF₂	difluoramine
518	NHCl₂	dichloroamine
519	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
520	SiH₂F₂	difluorosilane
521	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
522	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
523	CH₂Br₂	dibromomethane	¹A₁	C_2v
524	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
525	CH₃MgBr	Methyl Magnesium Bromide
526	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
527	CH₂FOH	fluoromethanol
528	C₂H₅Br	Ethyl bromide	¹A^'	C_s
529	C₄	Carbon tetramer	³Σ_g	D_∞h
530	C₄	Carbon tetramer
531	C₄H₄	Tetrahedrane
532	C₄H₆	1-Methylcyclopropene	¹A	C₁
533	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
534	C₂N₂	Cyanogen	¹Σ_g	D_∞h
535	As₄	Arsenic tetramer	¹A₁	T_d
536	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
537	H₂CNCN	cyanamide, methylene
538	HNCCNH	Ethenediimine
539	C₂H₅CN	ethyl cyanide	¹A^'	C_s
540	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
541	CH₇N₃	triaminomethane
542	N(SiH₃)₃	trisilylamine
543	C₃O	Tricarbon monoxide	¹Σ	C_∞v
544	ONNO	NO dimer	¹A_g	trans C2H
545	ONNO	NO dimer	¹A₁	cis C2V
546	S₂N₂	Disulfur dinitride	¹A_G	D_2h
547	SO₃	Sulfur trioxide	¹A₁^'	D_3h
548	SO₃^--	Sulfate dianion
549	S₄	Sulfur tetramer
550	S₄	Sulfur tetramer
551	S₄	Sulfur tetramer
552	HNO₃	Nitric acid	¹A^'	C_s
553	C₃H₂O	Propadienal
554	C₃H₂O	Propadienal
555	C₂H₂O₂	Ethanedial	¹A_g	C_2h
556	C₂H₃NO	Nitrosoethylene
557	CH₃NCO	methylisocyante
558	CH₃NO₂	Methane, nitro-	¹A^'	C_s
559	H₃AlO₃	Aluminum hydroxide
560	CH₂CHCHO	Acrolein	¹A^'	C_s
561	CH₂CHCHO	Acrolein
562	CH₃CH₂CHO	Propanal	¹A^'	C_s
563	CH₃COCH₃	Acetone	¹A₁	C_2v
564	CH₃SOCH₃	Dimethyl sulfoxide	¹A^'	C_s
565	C₃H₇OH	1-Propanol
566	Li₂F₂	Lithium fluoride dimer
567	CF₂O	Carbonic difluoride	¹A₁	C_2v
568	CF₂O⁺	Carbonic difluoride cation
569	BF₃⁺	boron trifluoride cation
570	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
571	BCl₃⁺	Boron Trichloride cation
572	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
573	CF₂Cl	difluorochloromethyl radical
574	CFCl₂	dichlorofluoromethyl radical
575	ClO₂F	Chloryl fluoride	¹A^'	C_s
576	SSCl₂	Thiothionyl chloride
577	NF₃	Nitrogen trifluoride	¹A₁	C_3v
578	NCl₃	nitrogen trichloride	¹A₁	C_3v
579	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
580	HClO₃	Chloric Acid	¹A^'	C_s
581	HClO₃	Chloric Acid	¹A	C₁
582	CHF₃	Methane, trifluoro-	¹A₁	C_3v
583	SiHF₃	trifluorosilane
584	CHCl₃	Chloroform	¹A₁	C_3v
585	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
586	CHFClBr	fluorochlorobromomethane	¹A	C₁
587	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
588	AsF₃H⁺	Arsenic trifluoride, protonated
589	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
590	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
591	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
592	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
593	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
594	CH₂CHCH₂F	Allyl Fluoride
595	CH₂CHCH₂F	Allyl Fluoride
596	CH₃CHCHF	trans-1-Fluoro-1-propene
597	CH₂FCH₂OH	2-fluoroethanol
598	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
599	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
600	B₅H₉	pentaborane9
601	C₅H₄	pentatetraene
602	C₅H₈	Bicyclo[1.1.1]pentane
603	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
604	B₂O₃	diboron trioxide
605	B₂O₃	diboron trioxide
606	C₃H₃NO	Isoxazole	¹A^'	C_s
607	C₄H₄O	Furan	¹A₁	C₂
608	CH₂CHSCHCH₂	Divinyl sulfide
609	C₄H₁₀O	Ethoxy ethane	¹A₁	C_2v
610	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
611	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
612	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
613	GeF₄	Germanium tetrafluoride	¹A₁	T_d
614	CCl₄	Carbon tetrachloride	¹A₁	T_d
615	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
616	CH₂ClCCCl	1,3-dichloropropyne
617	CHCl₂CCH	3,3-dichloropropyne
618	C₂H₂N₂O	Furazan
619	C₆H₆	Benzene	¹A_1g	D_6h
620	N₂O₄	Dinitrogen tetroxide	¹A_g	D_2d
621	C₃H₂O₃	vinylene carbonate
622	C₂H₄O₄	Formic acid dimer	¹A_G	C_2h
623	C₅H₆O	2H-Pyran
624	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
625	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
626	C₄H₈O₂	Ethyl acetate	¹A^'	C_s
627	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
628	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
629	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
630	C₅H₄O₂	furfural	¹A^'	OCCO cis
631	C₅H₄O₂	furfural	¹A^'	OCCO trans
632	C₆H₁₂O	Oxepane
633	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
634	C₈H₈	cubane	¹A_1G	O_h
635	C₆H₅CHO	benzaldehyde	¹A^'	C_s
636	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)
637	C₁₃H₁₀	Fluorene

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	H₂	Hydrogen diatomic	h2
7	HD	Deuterium hydride	hd
8	H₃⁺	hydrogen trimer cation	h3+
9	He^-	Helium atom anion	he-
10	HeH	Helium hydride	heh
11	Li	Lithium atom	li
12	Li⁺	Lithium atom cation	li+
13	Na	Sodium atom	na
14	Na^-	Sodium atom anion	na-
15	Na⁺	Sodium atom cation	na+
16	K	Potassium atom	k
17	K^-	Potassium atom anion	k-
18	K⁺	Potassium atom cation	k+
19	Cu	Copper atom	cu
20	Cu^-	Copper atom anion	cu-
21	Cu⁺	Copper atom cation	cu+
22	LiH	Lithium Hydride	lih
23	LiH^-	lithium hydride anion	lih-
24	NaH	sodium hydride	nah
25	NaH^-	sodium hydride anion	nah-
26	NaH⁺	sodium hydride cation	nah+
27	KH	Potassium hydride	kh
28	KH⁺	Potassium hydrogen cation	kh+
29	CuH	Copper monohydride	cuh
30	Be	Beryllium atom	be
31	Be^-	Beryllium atom anion	be-
32	Be⁺	Beryllium atom cation	be+
33	Mg	Magnesium atom	mg
34	Mg^-	Magnesium atom anion	mg-
35	Mg⁺	Magnesium atom cation	mg+
36	Ca	Calcium atom	ca
37	Ca^-	Calcium atom anion	ca-
38	Ca⁺	Calcium atom cation	ca+
39	Zn	Zinc atom	zn
40	Zn^-	Zinc atom anion	zn-
41	Zn⁺	Zinc atom cation	zn+
42	BeH	beryllium monohydride	beh
43	BeH^-	berylium monohydride anion	beh-
44	BeH⁺	beryllium monohydride cation	beh+
45	MgH^-	magnesium monohydride anion	mgh-
46	MgH⁺	magnesium monohydride cation	mgh+
47	CaH	Calcium monohydride	cah
48	CaH⁺	Calcium monohydride cation	cah+
49	TiH	Titanium monohydride	tih
50	ZnH	Zinc monohydride	znh
51	BeH₂	beryllium dihydride	beh2
52	CaH₂	Calcium Hydride	cah2
53	ZnH₂	Zinc hydride	znh2
54	B	Boron atom	b
55	B^-	Boron atom anion	b-
56	B⁺	Boron atom cation	b+
57	Sc	Scandium atom	sc
58	Sc⁺	Scandium cation	sc+
59	BH	Boron monohydride	bh
60	BH^-	boron monohydride anion	bh-
61	BH⁺	boron monohydride cation	bh+
62	AlH	aluminum monohydride	alh
63	AlH^-	aluminum monohydride anion	alh-
64	AlH⁺	aluminum monohydride cation	alh+
65	ScH	Scandium monohydride	sch
66	ScH⁺	Scandium monohydride cation	sch+
67	BH₂	boron dihydride	bh2
68	BH₂^-	boron dihydride anion	bh2-
69	BH₂⁺	Boron dihydride cation	bh2+
70	AlH₂	aluminum dihydride	alh2
71	AlH₂^-	aluminum dihydride anion	alh2-
72	AlH₂⁺	aluminum dihydride cation	alh2+
73	BH₃	boron trihydride	bh3
74	BH₃^-	boron trihydride anion	bh3-
75	AlH₃	aluminum trihydride	alh3
76	AlH₃⁺	aluminum trihydride cation	alh3+
77	ScH₃	Scandium trihydride	sch3
78	GaH₃	Gallium trihydride	gah3
79	AlH₄^-	Aluminum tetrahydride anion	alh4-
80	C^-	Carbon atom anion	c-
81	C⁺	Carbon atom cation	c+
82	Si	Silicon atom	si
83	Si⁺	Silicon atom cation	si+
84	Ti	Titanium atom	ti
85	Ti^-	Titanium atom anion	ti-
86	Ti⁺	Titanium atom cation	ti+
87	Sn	Tin atom	sn
88	Sn⁺	Tin cation	sn+
89	CH^-	methylidyne anion	ch-
90	CH⁺	Methylidyne cation	ch+
91	SiH^-	silicon monohydride anion	sih-
92	CH₂	Methylene	ch2
93	CH₂⁺	methylene cation	ch2+
94	SiH₂	silicon dihydride	sih2
95	SiH₂^-	silicon dihydride anion	sih2-
96	SiH₂⁺	silicon dihydride cation	sih2+
97	GeH₂^-	germylene anion	geh2-
98	CH₃^-	methyl anion	ch3-
99	CH₃⁺	methyl cation	ch3+
100	SiH₃^-	Silyl anion	sih3-
101	CD₄	methane-d4	cd4
102	CH₂D₂	methane-d2	ch2d2
103	CH₃D	methane-d	ch3d
104	CH₄^-	Methane anion	ch4-
105	CH₄⁺	Methane cation	ch4+
106	CHD₃	methane-d3	chd3
107	SiH₄⁺	Silane cation	sih4+
108	SnH₄	Stannane	snh4
109	N^-	Nitrogen atom anion	n-
110	N⁺	Nitrogen atom cation	n+
111	P^-	Phosphorus atom anion	p-
112	P⁺	Phosphorus atom cation	p+
113	V	Vanadium atom	v
114	Sb	Antimony atom	sb
115	NH	Imidogen	nh
116	NH^-	Imidogen anion	nh-
117	NH⁺	imidogen cation	nh+
118	PH^-	phosphorus monohydride anion	ph-
119	PH⁺	phosphorus monohydride cation	ph+
120	AsH⁺	Arsenic monohydride cation	ash+
121	SbH	Antimony monohydride	sbh
122	ND₂	Amidogen-d2	nd2
123	NH₂^-	amino anion	nh2-
124	PH₂	Phosphino radical	ph2
125	PH₂^-	Phosphino anion	ph2-
126	PH₂⁺	Phosphino cation	ph2+
127	AsH₂	Arsenic dihydride	ash2
128	AsH₂⁺	Arsenic dihydride cation	ash2+
129	ND₃	Ammonia-d3	nd3
130	NH₃^-	Ammonia anion	nh3-
131	NH₃⁺	ammonia cation	nh3+
132	SbH₃	Stibine	sbh3
133	O^-	Oxygen atom anion	o-
134	O⁺	Oxygen atom cation	o+
135	Cr	Chromium atom	cr
136	Te	Tellurium atom	te
137	Te⁺	Tellurium atom cation	te+
138	DO	Hydroxyl-d	od
139	DS	Mercapto-d	ds
140	HS	Mercapto radical	hs
141	TeH	Telluryl radical	teh
142	D₂O	Deuterium oxide	d2o
143	D₂S	Hydrogen sulfide-d2	d2s
144	H₂S^-	Hydrogen sulfide anion	h2s-
145	H₂Te	Hydrogen Telluride	h2te
146	Mn	Manganese atom	mn
147	I	Iodine atom	iodine
148	I^-	Iodine atom anion	iodine-
149	I⁺	Iodine atom cation	iodine+
150	DF	Hydrofluoric acid-d	df
151	DCl	Hydrochloric acid-d	dcl
152	HI	Hydrogen iodide	hi
153	HI⁺	Hydrogen iodide cation	hi+
154	H₂F⁺	dihydrogen fluoride cation	h2f+
155	H₂I⁺	Iodonium	h2i+
156	Ne	Neon atom	ne
157	Ne^-	Neon atom anion	ne-
158	Ne⁺	Neon atom cation	ne+
159	Ar	Argon atom	ar
160	Ar^-	Argon atom anion	ar-
161	Ar⁺	Argon atom cation	ar+
162	Fe	Iron atom	fe
163	Xe	Xenon atom	xe
164	NeH	neon hydrogen	neh
165	NeH⁺	neon hydrogen cation	neh+
166	XeH⁺	Xenon, protonated	xeh+
167	Co	Cobalt atom	cobalt
168	Ni	Nickel atom	ni
169	Li₂	Lithium diatomic	li2
170	Li₂^-	lithium diatomic anion	li2-
171	Li₂⁺	lithium diatomic cation	li2+
172	NaLi^-	lithium sodium anion	lina-
173	NaLi⁺	lithium sodium cation	lina+
174	LiK	Lithium Potassium	lik
175	NaK	Sodium Potassium	nak
176	NaK⁺	Sodium Potassium diatomic cation	nak+
177	K₂	Potassium diatomic	k2
178	Cu₂	Copper diatomic	cu2
179	LiBe	Lithium Beryllium	libe
180	LiMg	Lithium magnesium	limg
181	NaBe	Sodium Beryllium	nabe
182	NaMg	Sodium Magnesium	namg
183	Be₂	Beryllium diatomic	be2
184	Be₂^-	Beryllium diatomic anion	be2-
185	Be₂⁺	Beryllium diatomic cation	be2+
186	BeMg	Beryllium Magnesium	bemg
187	Mg₂	Magnesium diatomic	mg2
188	Mg₂^-	magnesium diatomic anion	mg2-
189	Mg₂⁺	magnesium diatomic cation	mg2+
190	Ca₂	Calcium diatomic	ca2
191	LiB	Lithium boride	lib
192	BeB	Beryllium monoboride	beb
193	B₂	Boron diatomic	b2
194	B₂^-	Boron diatomic anion	b2-
195	B₂⁺	Boron diatomic cation	b2+
196	BAl	Boron Aluminum	bal
197	Al₂	Aluminum diatomic	al2
198	Al₂^-	aluminum diatomic anion	al2-
199	Al₂⁺	aluminum diatomic cation	al2+
200	Ga₂	Gallium diatomic	ga2
201	LiBH₄	Lithium borohydride	libh4
202	Al₂H₆	dialane	al2h6
203	Ga₂H₆	digallane	ga2h6
204	LiC	Lithium Carbide	lic
205	BeC	Beryllium Carbide	bec
206	CaC	Calcium monocarbide	cac
207	BC	boron monocarbide	bc
208	BC^-	boron monocarbide anion	bc-
209	BC⁺	boron monocarbide cation	bc+
210	AlC	Aluminum carbide	alc
211	C₂	Carbon diatomic	c2
212	C₂^-	carbon diatomic anion	c2-
213	C₂⁺	carbon diatomic cation	c2+
214	SiC	silicon monocarbide	sic
215	SiC^-	silicon monocarbide anion	sic-
216	SiC⁺	silicon monocarbide cation	sic+
217	Si₂	Silicon diatomic	si2
218	Si₂^-	silcon diatomic anion	si2-
219	Si₂⁺	silcon diatomic cation	si2+
220	Ge₂	Germanium diatomic	ge2
221	C₂H⁺	Ethynyl cation	c2h+
222	ZnCH₂	Zinc methylene	znch2
223	CCH₂	vinylidene	vinylidene
224	HCCH^-	acetylene anion	c2h2-
225	CuCH₃	monomethyl copper	cuch3
226	ZnCH₃	Zinc monomethyl	znch3
227	C₂H₄^-	Ethylene anion	c2h4-
228	CH₃CH	methylmethylene	ch3ch
229	CH₂SiH₂	silaethylene	ch2sih2
230	C₂H₅^-	Ethyl anion	c2h5-
231	C₂H₅⁺	Ethyl cation	c2h5+
232	C₂H₆⁺	ethane cation	c2h6+
233	CH₃SiH₃	methyl silane	ch3sih3
234	GeH₃CH₃	methyl germane	geh3ch3
235	C₂H₇⁺	Ethane, protonated	c2h7+
236	LiN⁺	Lithium Nitride cation	lin+
237	BeN	Beryllium mononitride	ben
238	BeN^-	Beryllium mononitride anion	ben-
239	BeN⁺	Beryllium mononitride cation	ben+
240	BN^-	boron nitride anion	bn-
241	AlN^-	aluminum mononitride anion	aln-
242	AlN⁺	aluminum mononitride cation	aln+
243	AlP	Aluminum monophosphide	alp
244	GaN	Gallium mononitride	gan
245	BN	boron nitride	bn
246	BN⁺	boron nitride cation	bn+
247	AlN	Aluminum nitride	aln
248	CN^-	cyanide anion	cn-
249	CN⁺	Cyano cation	cn+
250	CP	Carbon monophosphide	cp
251	CP^-	carbon monophosphide anion	cp-
252	CP⁺	carbon monophosphide cation	cp+
253	SiN	Silicon nitride	sin
254	SiN^-	silicon mononitride anion	sin-
255	SiN⁺	silicon mononitride cation	sin+
256	SiP^-	Silicon monophosphide anion	sip-
257	SiP⁺	Silicon monophosphide cation	sip+
258	TiN	Titanium mononitride	tin
259	N₂⁺	diatomic nitrogen cation	n2+
260	PN^-	phosphorus nitride anion	pn-
261	PN⁺	phosphorus nitride cation	pn+
262	P₂	Phosphorus diatomic	p2
263	P₂^-	phosphorus diatomic anion	p2-
264	P₂⁺	phosphorus diatomic cation	p2+
265	AsN	Arsenic mononitride	asn
266	AsP	Arsenic monophosphide	asp
267	SbN	Antimony nitride	sbn
268	As₂	Arsenic diatomic	as2
269	HNB	hydrogen nitrogen boron	hnb
270	HNC	hydrogen isocyanide	hnc
271	HCN^-	Hydrogen cyanide anion	hcn-
272	HCP	Phosphaethyne	hcp
273	NNH	Dinitrogen monohydride	nnh
274	HPO	Hydrogen phosphorus oxide	hpo
275	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
276	CNH₂	Aminomethylidyne radical	cnh2
277	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
278	H₂CN	Dihydrogen cyanide radical	h2cn
279	H₂CN⁺	hydrocyanonium cation	h2cn+
280	HCNH	methyleneazane	hcnh
281	HCNH⁺	N-protonated HCN	hcnh+
282	N₂H₂	(E)-diazene	n2h2
283	N₂H₂	(Z)-Diazene	n2h2z
284	CH₂PH	Phosphaethene	ch3p
285	N₂H₄⁺	hydrazine cation	n2h4+
286	P₂H₄	Diphosphine	p2h4
287	CH₃NH₂⁺	methyl amine cation	ch3nh2+
288	CH₃PH₂	Methyl phosphine	ch3ph2
289	CH₃NH₃⁺	protonated methylamine	ch3nh3+
290	NH₃NH₃	Ammonia Dimer	nh3nh3
291	LiO	lithium oxide	lio
292	LiO^-	lithium oxide anion	lio-
293	LiO⁺	lithium oxide cation	lio+
294	LiS	Lithium monosulfide	lis
295	LiS⁺	Lithium sulfide cation	lis+
296	NaO	sodium monoxide	nao
297	NaO^-	sodium oxide anion	nao-
298	NaO⁺	sodium oxide cation	nao+
299	KO	Potassium monoxide	ko
300	KO⁺	Potassium monoxide cation	ko+
301	NaS	Sodium sulfide	nas
302	CuO	Copper Monoxide	cuo
303	BeO	beryllium oxide	beo
304	BeO^-	Beryllium monoxide anion	beo-
305	BeO⁺	Beryllium monoxide cation	beo+
306	BeS	beryllium sulfide	bes
307	MgO	magnesium oxide	mgo
308	MgO^-	magnesium oxide anion	mgo-
309	MgO⁺	magnesium oxide cation	mgo+
310	CaO	Calcium monoxide	cao
311	MgS	magnesium sulfide	mgs
312	MgS^-	magnesium sulfide anion	mgs-
313	MgS⁺	magnesium sulfide cation	mgs+
314	CaS	Calcium sulfide	cas
315	ZnO	zinc monoxide	zno
316	ZnS	Zinc sulfide	zns
317	BeS^-	Beryllium monosulfide anion	bes-
318	BeS⁺	Beryllium monosulfide cation	bes+
319	BO^-	boron monoxide anion	bo-
320	AlO	Aluminum monoxide	alo
321	AlO^-	Aluminum monoxide anion	alo-
322	AlO⁺	aluminum monoxide cation	alo+
323	BS	boron sulfide	bs
324	BS^-	boron monosulfide anion	bs-
325	BS⁺	boron monosulfide cation	bs+
326	AlS	Aluminum sulfide	als
327	AlS^-	aluminum monosulfide anion	als-
328	AlS⁺	aluminum monosulfide cation	als+
329	ScO	Scandium monoxide	sco
330	BO⁺	boron monoxide cation	bo+
331	CS	carbon monosulfide	cs
332	CS^-	carbon monosulfide anion	cs-
333	CS⁺	carbon monosulfide cation	cs+
334	SiO^-	silicon monoxide anion	sio-
335	SiO⁺	silicon monoxide cation	sio+
336	SiS^-	silicon monosulfide anion	sis-
337	SiS⁺	silicon monosulfide cation	sis+
338	TiO	Titanium monoxide	tio
339	CSe^-	Carbon monoselenide anion	cse-
340	CSe⁺	Carbon monoselenide cation	cse+
341	NS^-	nitrogen sulfide anion	ns-
342	NS⁺	nitrogen sulfide cation	ns+
343	PO^-	phosphorus monoxide anion	po-
344	PO⁺	phosphorus monoxide cation	po+
345	PS^-	phosphorus monosulfide anion	ps-
346	PS⁺	phosphorus monosulfide cation	ps+
347	VO	Vanadium monoxide	vo
348	AsO	Arsenic monoxide	aso
349	O₂⁺	diatomic oxygen cation	o2+
350	SO^-	sulfur monoxide anion	so-
351	S₂^-	sulfur diatomic anion	s2-
352	S₂⁺	sulfur diatomic cation	s2+
353	SeO^-	selenium monoxide anion	seo-
354	SeO⁺	selenium monoxide cation	seo+
355	SeS	Selenium monosulfide	ses
356	SeS^-	selenium monosulfide anion	ses-
357	SeS⁺	selenium monosulfide cation	ses+
358	TeO	Tellurium monoxide	teo
359	Se₂^-	selenium diatomic anion	se2-
360	Se₂⁺	selenium diatomic cation	se2+
361	Te₂	Tellurium diatomic	te2
362	NaOH	sodium hydroxide	naoh
363	KOH	Potassium hydroxide	koh
364	MgOH	magnesium hydroxide	mgoh
365	CaOH	Calcium monohydroxide	caoh
366	HCS	Thioformyl radical	hcs
367	HCS^-	Thioformyl anion	hcs-
368	HCS⁺	Thioformyl cation	hcs+
369	HNO^-	Nitrosyl hydride anion	hno-
370	HNS	Sulfur imide	hns
371	HNS^-	Sulfur imide anion	hns-
372	HO₂	Hydroperoxy radical	ho2
373	HO₂^-	Hydroperoxy anion	ho2-
374	HS₂	Thiosulfeno radical	hs2
375	HOCH	hydroxycarbene	hoch
376	H₂NO	nitroxide	h2no
377	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
378	CH₂OH	Hydroxymethyl radical	ch2oh
379	CH₃O	Methoxy radical	ch3o
380	CH₃S	thiomethoxy	ch3s
381	NH₃O	Ammonia Oxide	nh3o
382	H₂POH	Phosphinous acid	h2poh
383	H₃PO	Phosphine oxide	h3po
384	NH₃S	sulfidoazane	nh3s
385	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
386	CH₃OH^-	Methyl alcohol anion	ch3oh-
387	CH₃SeH	Methane selenol	ch3seh
388	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
389	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
390	H₂ONH₃	Water Ammonia Dimer	h2onh3
391	LiCl^-	lithium chloride anion	licl-
392	LiCl⁺	lithium chloride cation	licl+
393	NaF	sodium fluoride	naf
394	NaF^-	sodium fluoride anion	naf-
395	KF	Potassium Fluoride	kf
396	NaCl	Sodium Chloride	nacl
397	NaCl^-	sodium chloride anion	nacl-
398	NaCl⁺	sodium chloride cation	nacl+
399	KCl	Potassium Chloride	kcl
400	CuF	Copper monofluoride	cuf
401	LiBr^-	lithium bromide anion	libr-
402	LiBr⁺	lithium bromide cation	libr+
403	CuCl	Copper monochloride	cucl
404	NaBr	Sodium Bromide	nabr
405	NaBr^-	sodium bromide anion	nabr-
406	NaBr⁺	sodium bromide cation	nabr+
407	KBr	Potassium Bromide	kbr
408	LiI	Lithium Iodide	lii
409	NaI	Sodium Iodide	nai
410	KI	Potassium Iodide	ki
411	LiF^-	lithium fluoride anion	lif-
412	BeF	Beryllium monofluoride	bef
413	BeF^-	Beryllium monofluoride anion	bef-
414	BeF⁺	Beryllium monofluoride cation	bef+
415	BeCl	beryllium monochloride	becl
416	MgF	Magnesium monofluoride	mgf
417	MgF^-	magnesium fluoride anion	mgf-
418	MgF⁺	magnesium fluoride cation	mgf+
419	CaF	Calcium monofluoride	caf
420	MgCl	magnesium monochloride	mgcl
421	MgCl^-	magnesium monochloride anion	mgcl-
422	MgCl⁺	magnesium monochloride cation	mgcl+
423	CaCl	calcium monochloride	cacl
424	TiCl	Titanium Monochloride	ticl
425	ZnF^-	Zinc monofluoride anion	znf-
426	ZnF⁺	Zinc monofluoride cation	znf+
427	ZnCl	Zinc monochloride	zncl
428	CaBr	Calcium monobromide	cabr
429	BeCl^-	beryllium monochloride anion	becl-
430	BeCl⁺	beryllium monochloride cation	becl+
431	BF^-	Boron monofluoride anion	bf-
432	BF⁺	Boron monofluoride cation	bf+
433	AlF^-	Aluminum monofluoride anion	alf-
434	AlF⁺	Aluminum monofluoride cation	alf+
435	BCl	boron monochloride	bcl
436	BCl^-	boron monochloride anion	bcl-
437	BCl⁺	boron monochloride cation	bcl+
438	AlCl	Aluminum monochloride	alcl
439	AlCl^-	aluminum monochloride anion	alcl-
440	AlCl⁺	aluminum monochloride cation	alcl+
441	ScF	Scandium monofluoride	scf
442	BBr	Boron monobromide	bbr
443	AlI	Aluminum monoiodide	ali
444	CF^-	carbon monofluoride anion	cf-
445	CF⁺	carbon monofluoride cation	cf+
446	CCl	carbon monochloride	ccl
447	CCl^-	carbon monochloride anion	ccl-
448	CCl⁺	carbon monochloride cation	ccl+
449	SiF^-	silicon monofluoride anion	sif-
450	SiCl^-	silicon monochloride anion	sicl-
451	SiCl⁺	silicon monochloride cation	sicl+
452	NF	nitrogen fluoride	nf
453	NF^-	nitrogen monofluorine anion	nf-
454	NF⁺	nitrogen monofluoirde cation	nf+
455	NCl^-	nitrogen monochloride anion	ncl-
456	NCl⁺	nitrogen monochloride cation	ncl+
457	PF	phosphorus monofluoride	pf
458	PF^-	phosphorus monofluoride anion	pf-
459	PF⁺	phosphorus monofluoride cation	pf+
460	PCl	phosphorus chloride	pcl
461	PCl^-	phosphorus monochloride anion	pcl-
462	PCl⁺	phosphorus monochloride cation	pcl+
463	AsF	Arsenic monofluoride	asf
464	NBr	nitrogen monobromide	nbr
465	SbF	Antimony monofluoride	sbf
466	SbCl	Antimony monochloride	sbcl
467	FO	Oxygen monofluoride	fo
468	FO^-	flourine oxide anion	fo-
469	FO⁺	fluorine monoxide cation	fo+
470	ClO^-	chlorine monoxide anion	clo-
471	SF^-	sulfur monofluoride anion	sf-
472	SCl	sulfur monochloride	scl
473	SCl^-	sulfur monochloride anion	scl-
474	BrO^-	Bromine monoxide anion	bro-
475	SeF	Selenium monofluoride	sef
476	IO	Iodine monoxide	io
477	ClF^-	clorine monofluoride anion	clf-
478	Cl₂	Chlorine diatomic	cl2
479	Cl₂^-	chlorine diatomic anion	cl2-
480	BrF^-	bromine fluoride anion	brf-
481	BrF⁺	bromine fluoride cation	brf+
482	BrCl^-	bromine chloride anion	brcl-
483	BrCl⁺	bromine chloride cation	brcl+
484	IF	Iodine monofluoride	if
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	CHBr	bromomethylene	chbr
491	DOCl	Hypochlorous acid-d	docl
492	HOBr	Hypobromous acid	hobr
493	HOBr⁺	Hypobromous acid cation	hobr+
494	HOI	Hypoiodous acid	hoi
495	FHF	Hydrogen difluoride	fhf
496	FHF^-	Hydrogen difluoride anion	fhf-
497	NH₂F	monofluoroamine	nh2f
498	H₂F₂	Hydrogen fluoride dimer	h2f2
499	CD₃F	methylfluoride-d3	cd3f
500	CD₃Cl	methyl chloride d3	cd3cl
501	SiH₃Br	bromosilane	sih3br
502	CH₃I	methyl iodide	ch3i
503	SiH₃I	Silyl Iodide	sih3i
504	Ne₂	Neon diatomic	ne2
505	Ne₂⁺	Neon diatomic cation	ne2+
506	Li₃	Lithium trimer	li3
507	Li₃⁺	Lithium trimer cation	li3+
508	C₃⁺	carbon trimer cation	c3+
509	C₃H₃	cyclopropenyl radical	cpr
510	C₃H₃	Propargyl radical	propargyl
511	C₃H₃^-	Propargyl anion	c3h3-
512	C₃H₃⁺	cyclopropenyl cation	cpr+
513	C₃H₃⁺	Propargyl cation	c3h3+
514	C₃H₅	Allyl radical	allyl
515	C₃H₅⁺	Allyl cation	allyl+
516	CH₃CHCH	1-propenyl radical	ch3chch
517	Zn(CH₃)₂	dimethyl zinc	dmz
518	SiH₂(CH₃)₂	dimethylsilane	dms
519	NaCN	Sodium Cyanide	nacn
520	KCN	Potassium cyanide	kcn
521	CuCN	Copper cyanide	cucn
522	CN₂	3H-Diazirin-3-ylidene	cn2
523	NCN	Cyanoimidogen	ncn
524	N₃^-	azide anion	n3-
525	HCCN	cyanomethylene	hccn
526	HCNN	diazomethyl radical	hcnn
527	CH₂N₂	diazirine	ch2n2
528	CH₂NN	diazomethane	ch2nn
529	NH₂CN	cyanamide	cyanamide
530	CH₃CN^-	acetonitrile anion	ch3cn-
531	CH₃CN⁺	Acetonitrile cation	ch3cn+
532	CH₃NC	methyl isocyanide	ch3nc
533	CHNCH₂	2H-Azirine	c157164
534	CHNHCH	1H-Azirine	chnhch
535	H₂CCNH	Ethenimine	ch2cnh
536	H₂CNCH	methyleneaminomethylene	ch2nch
537	HCCNH₂	Ethynamine	hccnh2
538	NCNH₃⁺	Cyanamide, protonated	ncnh3+
539	CH₂CHNH	vinylazine	ch2chnh
540	CH₃CHN	methylmethaniminyl radical	ch3chn
541	NHCHNH₂	aminomethanimine	cn2h4
542	C₂H₅N	Aziridine	c2h5n
543	CH₂CHNH₂	aminoethene	aminoethene
544	CH₂NCH₃	N-methylmethanimine	nmm
545	CH₃CHNH	ethanimine	ethanimine
546	NH₂BHNH₂	diaminoborane	nh2bhnh2
547	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
548	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
549	CH₃NHCH₃	Dimethylamine	ch3nhch3
550	CH₃PHCH₃	dimethylphosphine	ch3phch3
551	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
552	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
553	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
554	Li₂O⁺	dilithium oxide cation	li2o+
555	Li₂S	dilithium sulfide	li2s
556	CCO	Dicarbon monoxide	cco
557	CNO^-	fulminate	cno-
558	NCO^-	cyanate	nco-
559	SCN	thiocyanato radical	scn
560	SCN^-	thiocyanide anion	scn-
561	BO₂	Boron dioxide	bo2
562	BO₂^-	Boron dioxide anion	bo2-
563	BO₂⁺	Boron dioxide cation	bo2+
564	N₂O^-	Nitrous oxide anion	n2o-
565	N₂O⁺	Nitrous oxide cation	n2o+
566	NNS	Nitrogen sulfide	nns
567	PPO	Phosphorus oxide phosphide	ppo
568	CO₂^-	Carbon dioxide anion	co2-
569	CO₂⁺	Carbon dioxide cation	co2+
570	OCS⁺	Carbonyl sulfide cation	cos+
571	SiO₂	silicon dioxide	sio2
572	CS₂^-	Carbon disulfide anion	cs2-
573	CS₂⁺	Carbon disulfide cation	cs2+
574	TiO₂	Titanium dioxide	tio2
575	SiS₂	Silicon disulfide	sis2
576	GeS₂	Germanium disulfide	ges2
577	CSe₂	Carbon diselenide	cse2
578	SCTe	Carbon sulfide Telluride	scte
579	NO₂^-	Nitrogen dioxide anion	no2-
580	PO₂	Phosphorus dioxide	po2
581	PO₂^-	Phosphorus dioxide anion	po2-
582	PO₂⁺	Phosphorus dioxide cation	po2+
583	AsO₂	Aresenic dioxide	aso2
584	O₃^-	Ozone anion	o3-
585	O₃⁺	Ozone cation	o3+
586	SO₂^-	Sulfur dioxide anion	so2-
587	SO₂⁺	Sulfur dioxide cation	so2+
588	S₃^-	Sulfur trimer anion	s3-
589	S₃⁺	Sulfur trimer cation	s3+
590	TeO₂	Tellurium Dioxide	teo2
591	CS₂H⁺	Carbon disulfide, protonated	cs2h+
592	HNCO	Isocyanic acid	hnco
593	HOCN	cyanic acid	hocn
594	HNCS	Isothiocyanic acid	hncs
595	HSCN	thiocyanic acid	hscn
596	HCO₂^-	formate anion	hco2-
597	HNNO	nitrosoazane	hnno
598	HNNO⁺	Nitrous oxide, N-protonated	hnno+
599	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
600	HCOO	formate neutral radical	hcoo
601	HOCO⁺	Hydrocarboxyl cation	hoco+
602	HNO₂	Nitrous acid	hno2
603	HNO₂⁺	nitrous acid cation	hno2+
604	SO₂H⁺	protonated sulfur dioxide	so2h+
605	CH₂CO⁺	Ketene cation	ch2co+
606	HCCOH	ethynol	hccoh
607	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
608	NH₂NO	Nitrosamide	nh2no
609	CH₂O₂	Dioxirane	diox
610	H₂O₃	Hydrogen trioxide	h2o3
611	HSSSH	trisulfane	hsssh
612	NaOCH₃	Sodium methoxide	naoch3
613	CH₂BOH	hydroxy(methylene)borane	ch2boh
614	CH₃BO	Borane, methyloxo-	ch3bo
615	CH₂CHO	Vinyloxy radical	ch2cho
616	CH₃CO	Acetyl radical	ch3co
617	CH₃CO^-	Acetyl anion	ch3co-
618	CH₃CO⁺	acetyl cation	ch3co+
619	CH₂NOH	formaldoxime	ch2noh
620	CH₃NO	nitrosomethane	ch3no
621	CHONH₂	formamide	formamide
622	CNOH₃	1,2-oxaziridine	cnoh3
623	CHSNH₂	thioformamide	chsnh2
624	CH₂OOH	CH2OOH radical	ch2ooh
625	CH₃OO	methylperoxy radical	ch3oo
626	CH₃OO^-	methylperoxy anion	ch3oo-
627	CH₃OO⁺	methylperoxy cation	ch3oo+
628	CH₂CHOH	ethenol	ch2choh
629	CH₃CHS	Thioacetaldehyde	ch3chs
630	H₂CONH₂⁺	protonated formamide	h2conh2+
631	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
632	CH₂(OH)₂	methanediol	ch2o2h2
633	CH₃OOH	Methyl peroxide	ch3ooh
634	H₂OH₂CO	water formaldehyde dimer	h2oh2co
635	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
636	CH₃CH₂O	Ethoxy radical	ethoxy
637	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
638	CH₃OCH₂	methoxymethyl radical	ch3och2
639	NH₂CH₂OH	aminomethanol	nh2ch2oh
640	CH₃SeCH₃	dimethylselenide	dmse
641	CH₃OHH₂O	methanol water dimer	ch3ohh2o
642	H₂OCH₃OH	water methanol dimer	h2och3oh
643	CuF₂	Copper difluoride	cuf2
644	ZnF₂	Zinc difluoride	znf2
645	FCN	Cyanogen fluoride	fcn
646	ClCN	chlorocyanogen	clcn
647	ICN	Cyanogen iodide	icn
648	BeF₂	Beryllium fluoride	bef2
649	MgF₂	Magnesium fluoride	mgf2
650	BeCl₂	Beryllium chloride	becl2
651	MgCl₂	Magnesium dichloride	mgcl2
652	CaCl₂	Calcium Chloride	cacl2
653	ZnCl₂	Zinc dichloride	zncl2
654	CaBr₂	Calcium dibromide	cabr2
655	CaF₂	Calcium difluoride	caf2
656	FCO	Carbonyl fluoride	fco
657	FCO⁺	Carbonyl fluoride cation	fco+
658	ClCO	carbonyl monochloride	clco
659	BrNO	Nitrosyl bromide	brno
660	INO	Nitrosyl iodide	ino
661	CF₂^-	Difluoromethylene anion	cf2-
662	CF₂⁺	Difluoromethylene cation	cf2+
663	SiF₂⁺	Silicon difluoride cation	sif2+
664	CCl₂	dichloromethylene	ccl2
665	CCl₂^-	dichloromethylene anion	ccl2-
666	CCl₂⁺	dichloromethylene cation	ccl2+
667	SiCl₂	Dichlorosilylene	sicl2
668	GeF₂	Germanium difluoride	gef2
669	CBr₂	dibromomethylene	cbr2
670	FOO	Dioxygen monofluoride radical	foo
671	ClOO	chloroperoxy radical	cloo
672	ClOO⁺	chloroperoxy cation	cloo+
673	OClO⁺	Chlorine dioxide cation	oclo+
674	ClS₂	Sulfur chloride	cls2
675	NF₂	Difluoroamino radical	nf2
676	NF₂⁺	Difluoroamino cation	nf2+
677	F₂O	Difluorine monoxide	f2o
678	SF₂^-	sulfur difluoride anion	sf2-
679	SF₂⁺	sulfur difluoride cation	sf2+
680	Cl₂O	Dichlorine monoxide	cl2o
681	SCl₂	Sulfur dichloride	scl2
682	BrOCl	Bromine hypochlorite	brocl
683	BrOBr	Bromine oxide	brobr
684	F₃^-	trifluoride anion	f3-
685	Cl₃^-	trichloride anion	cl3-
686	I₃^-	triiodide	i3-
687	HCCF⁺	fluoroacetylene cation	hccf+
688	HCCCl	Chloroacetylene	hcccl
689	HCCBr	bromoacetylene	hccbr
690	HFCO	formyl fluoride	hfco
691	HFCO⁺	formyl fluoride cation	hfco+
692	COHCl	Formyl chloride	cohcl
693	COHBr	Formyl bromide	cohbr
694	BHF₂	Difluoroborane	bhf2
695	BHCl₂	Borane, dichloro-	bhcl2
696	CHCl₂	dichloromethyl radical	chcl2
697	CHBr₂	dibromomethyl radical	chbr2
698	HOClO	Chlorous acid	hoclo
699	CH₂FCl	fluorochloromethane	ch2fcl
700	CH₂BrF	Methane, bromofluoro-	ch2fbr
701	CH₂FI	fluoroiodomethane	ch2fi
702	CH₂ClI	chloroiodomethane	ch2cli
703	CH₂BrI	bromoiodomethane	ch2bri
704	CH₂I₂	Diiodomethane	ch2i2
705	CH₂CHF⁺	fluoroethene cation	ch2chf+
706	C₂H₃Cl	Ethene, chloro-	ch2chcl
707	C₂H₃Br	vinyl bromide	c2h3br
708	C₂H₃I	Vinyl iodide	c2h3i
709	CH₃OCl	methyl hypochlorite	ch3ocl
710	CH₂CH₂Cl	2-chloroethyl radical	ch2ch2cl
711	CHClCH₃	1-chloroethyl radical	chclch3
712	C₂H₅F	fluoroethane	c2h5f
713	CH₃CH₂Cl	Ethyl chloride	c2h5cl
714	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
715	C₂H₅I	Ethyl iodide	c2h5i
716	KrF₂	Krypton difluoride	krf2
717	XeF₂	Xenon difluoride	xef2
718	B₄H₁₀	Tetraborane(10)	b4h10
719	C₄⁺	Carbon tetramer cation	c4+
720	C₄H₂	Diacetylene	c4h2
721	C₄H₂⁺	diacetlyene cation	c4h2+
722	C₂H₃CCH	1-Buten-3-yne	c2h3cch
723	C₄H₄	cyclobutadiene	cbd
724	H₂CCCCH₂	Butatriene	h2cccch2
725	C₄H₆	Cyclobutene	c822355
726	C₄H₆	Methylenecyclopropane	c6142730
727	CH₂CCHCH₃	1,2-Butadiene	butad12
728	CH₂CHCHCH₂	1,3-Butadiene	c106990
729	CH₃CCCH₃	2-Butyne	c503173
730	CHCCH₂CH₃	1-Butyne	c107006
731	CH₃CHCHCH₂	methylallyl radical	c4h7
732	C₄H₈	methylcyclopropane	mcp
733	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
734	CH₂CHCH₂CH₃	1-Butene	bute1
735	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
736	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
737	B(CH₃)₃	trimethylborane	bme3
738	Al(CH₃)₃	trimethyl aluminum	tma
739	C(CH₃)₃	Tert-butyl radical	tbutyl
740	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
741	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
742	CH₃CH(CH₃)CH₃	Isobutane	isobutane
743	SiH(CH₃)₃	trimethylsilane	trimsi
744	Li₃N	trilithium nitride	li3n
745	C₂N₂⁺	Cyanogen cation	c2n2+
746	P₄	Phosphorus tetramer	p4
747	HCCCN	Cyanoacetylene	hcccn
748	C₃H₃N	acrylonitrile	ch2chcn
749	C₃H₃N⁺	acrylonitrile cation	ch2chcn+
750	CH₃N₃	methyl azide	ch3n3
751	NH₂CCNH₂	Diaminoacetylene	daa
752	NH₂CH₂CN	Aminoacetonitrile	aan
753	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
754	CH₅N₃	Guanidine	guanidine
755	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
756	H₂NCHCHNH₂	diaminoethylene	dae
757	CH₆N₃⁺	guanidinium	ch6n3+
758	C₃H₇N	Cyclopropylamine	cpram
759	C₃H₇N	Azetidine	azet
760	C₄H₈	cyclobutane	cbutane
761	C₂H₈N₂	Ethylenediamine	ethdiam
762	CH₃NHNHCH₃	dimethyl hydrazine	dmh
763	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
764	N(CH₃)₃	Trimethylamine	trimeam
765	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
766	P(CH₃)₃	trimethylphosphine	tmp
767	As(CH₃)₃	trimethyl arsine	tmas
768	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
769	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
770	Li₂O₂	dilithium dioxide	li2o2
771	Na₂O₂	disodium dioxide	na2o2
772	K₂O₂	dipotassium dioxide	k2o2
773	B₂O₂	Diboron dioxide	b2o2
774	CO₃	Carbon trioxide	co3
775	CO₃^--	carbonate	co3--
776	CS₃^--	Carbonotrithioate	cs3--
777	NO₃	Nitrogen trioxide	no3
778	NO₃^-	nitrate anion	no3-
779	NO₃⁺	nitrogen trioxide cation	no3+
780	SO₃^-	Sulfur trioxide anion	so3-
781	SO₃⁺	Sulfur trioxide cation	so3+
782	SeO₃	selenium trioxide	seo3
783	TeO₃	Tellurium trioxide	teo3
784	HCO₃^-	bicarbonate anion	hco3-
785	HSO₃	Hydroxysulfonyl radical	hso3
786	NH₂NO₂	nitramide	nh2no2
787	C₂H₂CO	cyclopropenone	c2h2co
788	HCCCHO	2-propynal	hcccho
789	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
790	H₂CO₃	Carbonic acid	h2co3
791	H₂CS₃	thiocarbonic acid	h2cs3
792	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
793	H₂SO₃	Sulfurous acid	h2so3
794	HOCH₂CN	cyanomethanol	hoch2cn
795	CH₃COO^-	acetate anion	ch3coo-
796	CH₃ONO	Methyl nitrite	ch3ono
797	NH₂COOH	Carbamic acid	nh2cooh
798	H₃BO₃	Boric acid	h3bo3
799	H₃CO₃⁺	carbonic acid, protonated	h3co3+
800	C₃H₄O	2-Propyn-1-ol	c107197
801	C₃H₄O	allenol	c9000071
802	C₃H₄O	Cyclopropanone	cpone
803	C₃H₄O	Methylketene	c6004440
804	NH₂CONH₂	Urea	urea
805	NH₂CONH₂⁺	Urea cation	urea+
806	NH₂CSNH₂	Thiourea	thiourea
807	C₂H₄O₂	1,3-dioxetane	c2h4o2
808	CH₃COOH	Acetic acid	ch3cooh
809	CH₃OCHO	methyl formate	ch3ocho
810	CHOCH₂OH	hydroxy acetaldehyde	haa
811	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
812	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
813	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
814	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
815	HCOOHH₂O	Formic acid water dimer	hcoohh2o
816	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
817	CH₃COCH₂	Acetonyl radical	ch3coch2
818	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
819	CH₃C(OH)=NH	Ethaninidic acid	eia
820	CH₃CHNOH	Acetaldoxime	acetaldoxime
821	CH₃CONH₂	Acetamide	acetamide
822	HCONHCH₃	N-methylformamide	nmfa
823	CH₃CSNH₂	Ethanethioamide	ch3csnh2
824	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
825	H₂NCOHNH₂⁺	urea, protonated	ureah+
826	C₂H₅OO	ethylperoxy radical	c2h5oo
827	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
828	C₃H₅OH	Cyclopropanol	cproh
829	C₃H₆O	2-Propen-1-ol	c107186
830	C₃H₆O	Acetone enol	enol
831	C₃H₆O	Oxetane	oxetane
832	C₃H₆O	Propylene oxide	prox
833	CH₃COCH₃^-	acetone anion	ch3coch3-
834	C₃H₆S	Thietane	thietane
835	C₃H₆S	Thiirane, methyl-	methiirane
836	CH₃CSCH₃	Thioacetone	ch3csch3
837	C₂H₆O₂	1,2-Ethanediol	ethdiol
838	CH₃OOCH₃	dimethylperoxide	dmp
839	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
840	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
841	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
842	HOCH₂CH₂NH₂	monoethanolamine	mea
843	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
844	CH₃OC₂H₅	Ethane, methoxy-	etome
845	C₃H₇SH	1-Propanethiol	prsh
846	CH₃CHSHCH₃	2-Propanethiol	isoprsh
847	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
848	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
849	Na₂F₂	Sodium Fluoride Dimer	na2f2
850	Na₂Cl₂	Disodium dichloride	na2cl2
851	C₂F₂	difluoroacetylene	c2f2
852	C₂Cl₂	dichloroacetylene	c2cl2
853	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
854	FNO₂	Nitryl fluoride	fno2
855	FONO	Nitrosyl hypofluorite	fono
856	ClNO₂	Nitryl chloride	clno2
857	ClONO	chlorine nitrite	clono
858	BrONO	Bromine nitrite	brono
859	N₂F₂	(Z)-Difluorodiazene	n2f2_z
860	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
861	COFCl	Carbonic chloride fluoride	cofcl
862	CCl₂O	Phosgene	cl2co
863	Cl₂CS	Thiophosgene	cl2cs
864	COBr₂	Carbonic dibromide	cobr2
865	BF₃	Borane, trifluoro-	bf3
866	BF₃^-	Borane, trifluoro- anion	bf3-
867	AlF₃	Aluminum trifluoride	alf3
868	BClF₂	Chlorodifluoroborane	bclf2
869	AlF₂Cl	Aluminum chloride difluoride	alclf2
870	ScF₃	Scandium trifluoride	ScF3
871	AlFCl₂	Aluminum dichloride fluoride	alcl2f
872	AlCl₃	Aluminum trichloride	alcl3
873	GaCl₃	Gallium trichloride	gacl3
874	BBr₃	Boron tribromide	bbr3
875	AlBr₃	Aluminum Bromide	albr3
876	ClO₃	Chlorine trioxide	clo3
877	ClO₃^-	chlorate anion	clo3-
878	BrO₃^-	Bromate anion	bro3-
879	CF₃	Trifluoromethyl radical	cf3
880	CF₃^-	Trifluoromethyl anion	cf3-
881	CF₃⁺	Trifluoromethyl cation	cf3+
882	SiF₃	Silicon trifluoride radical	sif3
883	SiF₃⁺	Silicon trifluoride cation	sif3+
884	CCl₃	Trichloromethyl radical	ccl3
885	CCl₃^-	Trichloromethyl anion	ccl3-
886	CCl₃⁺	Trichloromethyl cation	ccl3+
887	SiCl₃	trichlorosilyl radical	sicl3
888	SiCl₃⁺	trichlorosilyl cation	sicl3+
889	CBr₃	tribromomethyl radical	cbr3
890	FOOF	Perfluoroperoxide	foof
891	F₂SO	Thionyl Fluoride	f2so
892	ClOOCl	Dichlorine dioxide	cloocl
893	FSSF	Difluorodisulfane	fssf
894	S₂F₂	Thio-thionyl fluoride	s2f2
895	SOCl₂	thionyl chloride	socl2
896	SeOCl₂	selenium oxychloride	seocl2
897	NF₃^-	Nitrogen trifluoride anion	nf3-
898	NF₃⁺	Nitrogen trifluoride cation	nf3+
899	PF₃	Phosphorus trifluoride	pf3
900	AsF₃	Arsenic trifluoride	asf3
901	PCl₃	Phosphorus trichloride	pcl3
902	SbF₃	Antimony Trifluoride	sbf3
903	AsCl₃	Arsenous trichloride	ascl3
904	SbCl₃	Antimony Trichloride	sbcl3
905	PBr₃	Phosphorus tribromide	pbr3
906	AsBr₃	Arsenic tribromide	asbr3
907	NI₃	Nitrogen triiodide	ni3
908	PI₃	Phosphorus triiodide	pi3
909	ClSSCl	Disulfur dichloride	s2cl2
910	SF₃	Sulfur trifluoride	sf3
911	ClF₃	Chlorine trifluoride	clf3
912	BrF₃	Bromine trifluoride	brf3
913	IF₃	iodone trifluoride	if3
914	CHF₂Cl	difluorochloromethane	chf2cl
915	CHFCl₂	fluorodichloromethane	chfcl2
916	CDCl₃	trichloromethane-d	cdcl3
917	SiHCl₃	Trichlorosilane	sihcl3
918	CHF₂I	difluoroiodomethane	chf2i
919	CHBr₂F	dibromofluoromethane	chbr2f
920	CHFClI	fluorochloroiodomethane	chfcli
921	CHCl₂I	dichloroiodomethane	chcl2i
922	CHClBr₂	Methane, dibromochloro-	chclbr2
923	CHBr₃	bromoform	chbr3
924	CHI₃	Iodoform	chi3
925	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
926	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
927	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
928	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
929	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
930	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
931	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
932	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
933	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
934	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
935	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
936	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
937	CH₃COF	Acetyl fluoride	ch3cof
938	CH₂ClCHO	chloroacetaldehyde	ch2clcho
939	CH₃COCl	Acetyl Chloride	ch3cocl
940	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
941	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
942	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
943	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
944	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
945	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
946	CH₂CFCH₃	2-fluoropropene	2fpro
947	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
948	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
949	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
950	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
951	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
952	CH₂FCH₂CH₃	1-Fluoropropane	prf1
953	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
954	CH₃CH₂CH₂Br	n-propyl bromide	prbr
955	CH₃CHBrCH₃	i-propyl bromide	iprbr
956	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
957	C₅H₅	cyclopentadienyl radical	c5h5
958	C₅H₅^-	cylopentadienyl anion	c5h5-
959	C₅H₆	1,3-Cyclopentadiene	c542927
960	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
961	C₅H₆	3-Penten-1-yne, (E)-	c2004695
962	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
963	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
964	C₅H₆	Cyclopropylacetylene	c6746947
965	C₅H₆	Propellane	propellane
966	C₅H₇	1,3-pentadienyl radical	pdyl
967	C₅H₇	cyclopentenyl radical	cpyl
968	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
969	C₅H₈	1,2-Pentadiene	c591957
970	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
971	C₅H₈	1,3-Pentadiene, (E)-	c2004708
972	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
973	C₅H₈	1,4-Pentadiene	c591935
974	C₅H₈	1-pentyne	a1pentyne
975	C₅H₈	2,3-Pentadiene	c591968
976	C₅H₈	Cyclobutane, methylene-	c1120565
977	C₅H₈	Cyclopentene	c142290
978	C₅H₈	Ethenylcyclopropane	c693867
979	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
980	C₅H₁₀	1-Butene, 2-methyl-	c563462
981	C₅H₁₀	2-Butene, 2-methyl-	c513359
982	C₅H₁₀	2-Pentene, (E)-	c646048
983	C₅H₁₀	2-Pentene, (Z)-	c627203
984	C₅H₁₀	Cyclopentane	c287923
985	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
986	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
987	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
988	C₅H₁₂	Butane, 2-methyl-	buta2
989	C₅H₁₂	Pentane	pentane
990	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
991	Si(CH₃)₄	tetramethylsilane	tms
992	N₂O₃	Dinitrogen trioxide	n2o3
993	C₃H₂N₂	Malononitrile	c3h2n2
994	CH₂N₄	1H-Tetrazole	1htz
995	C₃H₃N₂	imidazolyl radical	im
996	C₃H₃N₂^-	imidizolyl anion	im-
997	C₂H₃N₃	1H-1,2,4-Triazole	c288880
998	C₄H₄N	pyrrolide radical	c4h4n
999	C₄H₄N^-	pyrrolide anion	c4h4n-
1000	C₃H₄N₂	1H-Imidazole	1himidaz
1001	C₃H₄N₂	1H-Pyrazole	1hpyraz
1002	C₃H₄N₂	2H-Imidazole	imid2h
1003	C₃H₄N₂	4H-Imidazole	imid4h
1004	C₄H₅N	(E)-2-Butenenitrile	c627269
1005	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1006	C₄H₅N	2H-pyrrole	pyrrole2
1007	C₄H₅N	3H-pyrrole	pyrrole3
1008	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1009	C₄H₅N	Pyrrole	pyrrole
1010	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1011	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1012	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1013	C₄H₆N⁺	pyrrole, protonated	ppyr
1014	C₃H₆N₂	3-Aminopropionitrile	c151188
1015	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1016	CH₃CH₂CH₂CN	Butanenitrile	c109740
1017	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1018	C₅H₈	Spiropentane	c157404
1019	C₄H₉N	Cyclobutylamine	cbam
1020	C₄H₉N	Pyrrolidine	pyrrolidine
1021	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1022	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1023	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1024	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1025	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1026	NH(C₂H₅)₂	diethylamine	dea
1027	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1028	C₃O₂⁺	Carbon suboxide cation	c3o2+
1029	MgCO₃	Magnesium Carbonate	mgco3
1030	BeCO₃	Beryllium Carbonate	beco3
1031	CaCO₃	Calcium Carbonate	caco3
1032	ONONO	Nitrosyl nitrite	onono
1033	PO₄^---	phosphate	po4---
1034	SO₄^--	sulfate	so4--
1035	HOONO₂	peroxy nitric acid	hoono2
1036	HSO₄^-	bisulfate anion	hso4-
1037	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1038	C₃H₂O₂	Propiolic acid	c3h2o2
1039	CHOCOOH	oxo acetic acid	oaa
1040	CHOOCHO	diformyl ether	choocho
1041	H₂SO₄	Sulfuric acid	h2so4
1042	H₂SeO₄	Selenic acid	h2seo4
1043	C₃H₃NO	Oxazole	oxazole
1044	C₃H₃NS	Thiazole	thiazole
1045	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1046	CH₃NO₃	Methyl nitrate	ch3no3
1047	H₃PO₄	Phosphoric Acid	h3po4
1048	C₄H₄O⁺	Furan cation	furan+
1049	CH₃COCCH	3-butyn-2-one	c1423605
1050	C₄H₄S	Thiophene	furans
1051	C₄H₄Se	selenophene	c4h4se
1052	C₃H₄O₂	β–Propiolactone	beta
1053	C₃H₄O₂	2-Propenoic acid	propenoic2
1054	C₃H₄O₂	Methyl glyoxal	megly
1055	C₃H₄O₂	propanedial	propanedial
1056	C₃H₄O₂	propenalol	propenalol
1057	HOCHCCHOH	allenediol	aldiol
1058	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1059	C₂H₄O₃	trioxolane124	triox
1060	HOCH₂COOH	Hydroxyacetic acid	hac
1061	CH₂CHCONH₂	Acrylamide	c79061
1062	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1063	CH₅N₃S	Hydrazinecarbothioamide	c79196
1064	H₂NCH₂COOH	Glycine	glycine
1065	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1066	C₄H₆O	cis-2-butenal	butenal2c
1067	C₄H₆O	Cyclobutanone	cbutone
1068	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1069	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1070	CH₂CHOCHCH₂	Vinyl ether	vinylether
1071	CHOCHCHCH₃	2-Butenal	butenal2
1072	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1073	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1074	C₂H₆N₂O	Urea, methyl-	c598505
1075	C₃H₆O₂	1,3-Dioxolane	dioxolane
1076	CH₃CH₂COOH	Propanoic Acid	propanoic
1077	CH₃COOCH₃	methyl acetate	aame
1078	HCOOC₂H₅	Ethyl formate	faee
1079	C₂H₆O₂S	Dimethyl sulfone	c67710
1080	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1081	C₃H₇NO	dimethylformamide	dmf
1082	C₃H₇NO	Propanamide	propanam
1083	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1084	C₄H₈O	Cyclobutanol	c2919235
1085	C₄H₈O	Furan, tetrahydro-	thf
1086	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1087	CH₃COCH₂CH₃	2-Butanone	buta2one
1088	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1089	CHOCH₂CH₂CH₃	Butanal	butanal
1090	C₄H₈S	Thiophene, tetrahydro-	tht
1091	C₃H₈O₂	1,3-Propanediol	c504632
1092	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1093	C₃H₈O₂	Methane, dimethoxy-	c109875
1094	C₃H₈O₂	Propylene glycol	c57556
1095	C₃H₈S₂	1,3-Propanedithiol	c109808
1096	C₄H₁₀O	1-Butanol	butanol1
1097	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1098	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1099	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1100	C₄H₁₀O	Methyl propyl ether	meopr
1101	C₄H₁₀O	Propane, 2-methoxy-	c598538
1102	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1103	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1104	C₂H₅SC₂H₅	Diethyl sulfide	etset
1105	C₄H₉SH	1-Butanethiol	bush
1106	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1107	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1108	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1109	FNO₃	Fluorine nitrate	fno3
1110	ClONO₂	Chlorine nitrate	clono2
1111	BrONO₂	Bromine nitrate	brono2
1112	TiCl₄	Titanium tetrachloride	ticl4
1113	ClO₄^-	perchlorate anion	clo4-
1114	BF₄^-	tetrafluoroboron anion	bf4-
1115	ClFO₃	Perchloryl fluoride	clfo3
1116	SO₂F₂	Sulfuryl fluoride	so2f2
1117	SO₂Cl₂	Sulfuryl chloride	so2cl2
1118	F₃NO	Nitrogen trifluoride oxide	f3no
1119	F₃PO	Phosphoryl fluoride	pf3o
1120	Cl₃PO	Phosphoryl chloride	pcl3o
1121	CF₄	Carbon tetrafluoride	cf4
1122	SiF₄	Silicon tetrafluoride	sif4
1123	TiF₄	Titanium tetrafluoride	tif4
1124	CFCl₃	Trichloromonofluoromethane	cfcl3
1125	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1126	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1127	SiCl₄	Silane, tetrachloro-	sicl4
1128	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1129	CF₃I	trifluoroiodomethane	cf3i
1130	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1131	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1132	GeCl₄	Germanium Tetrachloride	gecl4
1133	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1134	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1135	CCl₃I	trichloroiodomethane	ccl3i
1136	CFBr₃	fluorotribromomethane	cfbr3
1137	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1138	CBr₃Cl	tribromochloromethane	cbr3cl
1139	CF₂I₂	difluorodiiodomethane	cf2i2
1140	CBr₄	Carbon tetrabromide	cbr4
1141	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1142	SiBr₄	Silicon tetrabromide	sibr4
1143	CBr₃I	tribromoiododmethane	cbr3i
1144	GeBr₄	Germanium tetrabromide	gebr4
1145	CI₄	tetraiodomethane	ci4
1146	SiI₄	silicon tetraiodide	sii4
1147	ClOF₃	Chlorine trifluoride oxide	clof3
1148	SeF₄	Selenium tetrafluoride	sef4
1149	SCl₄	Sulfur tetrachloride	scl4
1150	C₂HF₃	Trifluoroethylene	c2hf3
1151	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
1152	CHClCCl₂	Trichloroethylene	chclccl2
1153	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1154	HClO₄	perchloric acid	hclo4
1155	HSO₃F	Fluorosulfonic acid	hso3f
1156	CF₃OH	trifluoromethanol	cf3oh
1157	CHClCCHCl	1,3-dichloroallene	chclcchcl
1158	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1159	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1160	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1161	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1162	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1163	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1164	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1165	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1166	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1167	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1168	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1169	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1170	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1171	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1172	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1173	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1174	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1175	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1176	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1177	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1178	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1179	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1180	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1181	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1182	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1183	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1184	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1185	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1186	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1187	C₄H₉F	1-fluorobutane	butaf1
1188	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1189	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1190	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1191	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1192	XeF₄	Xenon tetrafluoride	xef4
1193	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1194	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1195	C₆H₂	hexatriyne	c6h2
1196	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1197	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1198	C₆H₄	Benzyne	benzyne
1199	C₆H₅	phenyl	phenyl
1200	C₆H₅^-	phenyl anion	phenyl-
1201	C₆H₆	Prismane	prismane
1202	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1203	C₆H₆	2,4-Hexadiyne	hexadiyne
1204	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1205	C₆H₆	Benzvalene	bv
1206	C₆H₆	Dewar Benzene	dewar
1207	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1208	C₆H₆	Trimethylenecycopropane	tmcp
1209	C₆H₆⁺	Benzene cation	c6h6+
1210	C₆H₇⁺	benzene, protonated	c6h7+
1211	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1212	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1213	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1214	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1215	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1216	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1217	C₆H₈	3-Methylenecyclopentene	c930267
1218	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1219	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1220	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1221	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1222	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1223	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1224	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1225	C₆H₁₀	1,5-Hexadiene	c592427
1226	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1227	C₆H₁₀	1-Hexyne	hexyne1
1228	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1229	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1230	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1231	C₆H₁₀	2-Hexyne	c764352
1232	C₆H₁₀	3-Hexyne	hexyne3
1233	C₆H₁₀	cyclohexene	cyclohexene
1234	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1235	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1236	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1237	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1238	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1239	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1240	C₆H₁₂	(E)-2-Hexene	e2hexene
1241	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1242	C₆H₁₂	(E)-hex-3-ene	e3hexene
1243	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1244	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1245	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1246	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1247	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1248	C₆H₁₂	3-methylenepentane	c760214
1249	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1250	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1251	C₆H₁₂	Cyclohexane	cyclohexane
1252	C₆H₁₂	Cyclopentane, methyl-	c96377
1253	C₆H₁₂	Ethylcyclobutane	c4806615
1254	C₆H₁₂	hex-1-ene	hexene1
1255	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1256	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1257	C₆H₁₄	Hexane	hexane
1258	C₆H₁₄	Pentane, 2-methyl-	penta2
1259	C₆H₁₄	Pentane, 3-methyl-	penta3
1260	C₄N₂	2-Butynedinitrile	c4n2
1261	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1262	C₄H₂N₂	Fumaronitrile	c4h2n2
1263	C₂H₂N₄	sym-tetrazine	ttz
1264	C₃H₃N₃	1,3,5-Triazine	triazine135
1265	CH₃N₅	5-Aminotetrazole	c4418615
1266	C₄H₄N₂	1,3-Diazine	diazine13
1267	C₄H₄N₂	Pyrazine	pyrazine
1268	C₄H₄N₂	Pyridazine	pyridazine
1269	C₄H₄N₂	Succinonitrile	c110612
1270	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1271	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1272	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1273	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1274	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1275	C₅H₅N	Pyridine	pyridine
1276	B₃N₃H₆	borazine	borazine
1277	C₆H₆	Fulvene	fulvene
1278	C₅H₆N⁺	Pyridinium	c5h6n
1279	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1280	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1281	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1282	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1283	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1284	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1285	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1286	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1287	C₅H₉N	Pentanenitrile	c110598
1288	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1289	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1290	C₅H₁₁N	Cyclopentanamine	cypentam
1291	C₅H₁₁N	Piperidine	piper
1292	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1293	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1294	Li₂CO₃	Lithium Carbonate	li2co3
1295	Na₂CO₃	Sodium Carbonate	na2co3
1296	C₂O₄^--	oxalate anion	c2o4
1297	MgSO₄	Magnesium Sulfate	mgso4
1298	C₂H₂O₄	Oxalic Acid	oxalic
1299	C₂H₃NO₃	Oxamic acid	oxamic
1300	C₄H₄O₂	2(5H)-Furanone	furanone
1301	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1302	C₂H₄N₂O₂	Oxalamide	oxalamide
1303	C₂H₄N₂S₂	Ethanedithioamide	c79403
1304	C₂H₄CO₃	Ethylene carbonate	etco3
1305	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1306	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1307	C₄H₅NO	3-Methylisoxazole	isox3m
1308	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1309	C₄H₅NS	4-Methylthiazole	c693958
1310	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1311	C₅H₆O	2-methylfuran	furan2m
1312	C₅H₆O	3-Methylfuran	furan3m
1313	C₅H₆O	Pentadienal	pdal
1314	C₅H₆S	Thiophene, 2-methyl-	c554143
1315	C₅H₆S	Thiophene, 3-methyl-	c616444
1316	C₄H₆O₂	2,3-Butanedione	c431038
1317	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1318	C₄H₆O₂	Crotonic Acid	crot
1319	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1320	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1321	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1322	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1323	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1324	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1325	C₄H₆OS	Vinyl sulfoxide	c1115157
1326	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1327	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1328	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1329	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1330	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1331	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1332	C₄H₇NO	2-Pyrrolidinone	c616455
1333	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1334	C₄H₇NO	Methacrylamide	c79390
1335	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1336	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1337	C₃H₇ONO	Propyl nitrite	prono
1338	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1339	CH₃CH(NH₂)COOH	Alanine	alanine
1340	CH₃NHCH₂COOH	Sarcosine	sarcosine
1341	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1342	NH₂COOC₂H₅	Urethane	urethane
1343	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1344	C₅H₈O	Cyclopentanone	c120923
1345	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1346	C₅H₈O	Methyl cyclopropyl ketone	c765435
1347	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1348	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1349	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1350	C₄H₈O₂	1,3-Dioxane	dioxan13
1351	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1352	C₄H₈O₂	1,4-Dioxane	dioxan14
1353	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1354	C₄H₈OS	s-Ethyl thioacetate	c625605
1355	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1356	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1357	C₄H₉NO	Butanamide	c541355
1358	C₄H₉NO	Propanamide, 2-methyl-	c563837
1359	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1360	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1361	C₅H₁₀O	2-methylbutyraldehyde	2meba
1362	C₅H₁₀O	2-Pentanone	mpk
1363	C₅H₁₀O	3-Pentanone	dek
1364	C₅H₁₀O	Cyclopentanol	c96413
1365	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1366	C₅H₁₀O	Pentanal	pal
1367	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1368	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1369	C₅H₁₀S	Cyclopentanethiol	c1679078
1370	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1371	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1372	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1373	C₄H₁₀O₂	1,3-Butanediol	budiol13
1374	C₄H₁₀O₂	1,4-Butanediol	budiol14
1375	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1376	C₄H₁₀OS	Diethyl sulfoxide	c70291
1377	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1378	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1379	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1380	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1381	C₅H₁₂O	1-Pentanol	pentanol1
1382	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1383	C₅H₁₂O	2-Pentanol	peol2
1384	C₅H₁₂O	3-Pentanol	pentan3ol
1385	C₅H₁₂O	Butane, 1-methoxy-	meobu
1386	C₅H₁₂O	Propane, 1-ethoxy-	proet
1387	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1388	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1389	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1390	C₅H₁₂S	1-Pentanethiol	c110667
1391	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1392	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1393	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1394	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1395	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1396	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1397	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1398	C₄F₂	difluorobutadiyne	c4f2
1399	ClCOClCO	Oxalyl chloride	oxcl
1400	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1401	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1402	B₂F₄	Diboron tetrafluoride	b2f4
1403	B₂Cl₄	Diboron tetrachloride	b2cl4
1404	C₂F₄	Tetrafluoroethylene	c2f4
1405	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1406	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1407	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1408	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1409	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1410	C₂FCl₃	fluorotrichloroethene	c2fcl3
1411	C₂Cl₄	Tetrachloroethylene	c2cl4
1412	C₂Br₄	tetrabromoethene	c2br4
1413	CF₃OF	Trifluoromethylhypofluorite	cf3of
1414	SiF₅^-	silicon pentafluoride anion	sif5-
1415	SOF₄	Sulfur tetrafluoride oxide	sof4
1416	AsF₅	Arsenic pentafluoride	asf5
1417	PCl₅	Phosphorus pentachloride	pcl5
1418	SF₅	Sulfur pentafluoride	sf5
1419	SF₅⁺	pentafluoro sulfur cation	sf5+
1420	SbCl₅	Antimony pentachloride	sbcl5
1421	BrF₅	bromine pentafluoride	brf5
1422	ClF₅	chlorinepentafluoride	clf5
1423	IF₅	pentafluoroiodine	if5
1424	CF₃CHO	trifluoroacetaldehyde	cf3cho
1425	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1426	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1427	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1428	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1429	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1430	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1431	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1432	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1433	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1434	CF₃COOH	trifluoroacetic acid	cf3cooh
1435	C₄H₃ClO	Furan, 2-chloro	fur2cl
1436	C₄H₃ClO	Furan,3-chloro	fur3cl
1437	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1438	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1439	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1440	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1441	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1442	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1443	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1444	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1445	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1446	C₄H₈O₂	Butanoic acid	bua
1447	C₆H₅CH₂	benzyl radical	benzyl
1448	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1449	C₆H₅CH₃	toluene	toluene
1450	C₇H₈	cycloheptatriene	cht
1451	C₇H₈	Norbornadiene	norbor
1452	C₇H₈	Quadricyclane	qucy
1453	C₇H₁₂	Norbornane	nor
1454	C₇H₁₄	cycloheptane	c7h14
1455	C₇H₁₆	2-methylhexane	2mhex
1456	C₇H₁₆	3-methylhexane	hex3m
1457	C₇H₁₆	heptane	heptane
1458	CH(CN)₃	tricyanomethane	mecn3
1459	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1460	C₆H₇N	2-Methylpyridine	mp
1461	C₆H₅NH₂	aniline	aniline
1462	C₆H₁₃N	2-Methylpiperidine	pip2m
1463	C₆H₁₃N	cyclohexanamine	cham
1464	C₆H₁₅N	triethylamine	tea
1465	N₂O₅	Dinitrogen pentoxide	n2o5
1466	C₄H₂O₃	Maleic Anhydride	malan
1467	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1468	C₆H₅O	phenoxy radical	phenoxy
1469	C₅H₅NO	2(1H)-Pyridinone	c72762006
1470	C₅H₅NO	2(3H)-Pyridinone	c9000048
1471	C₅H₅NO	2(5H)-Pyridinone	c9000037
1472	C₅H₅NO	2-Pyridinol	c109104
1473	C₅H₅NO	3(2H)-Pyridinone	c9000004
1474	C₅H₅NO	3(4H)-Pyridinone	c9000026
1475	C₅H₅NO	3(6H)-Pyridinone	c9000015
1476	C₅H₅NO	3-Pyridinol	c109002
1477	C₅H₅NO	4(1H)-Pryidinone	c9000060
1478	C₅H₅NO	4(3H)-Pryidinone	c9000059
1479	C₅H₅NO	4-Pyridinol	c626642
1480	C₆H₅OH	phenol	phenol
1481	C₆H₆O	2,4-Cyclohexadienone	c24599573
1482	C₆H₆O	2,5-Cyclohexadienone	c5664335
1483	C₆H₅SH	Benzenethiol	phsh
1484	HO₂CCHNH₂CH₂OH	Serine	serine
1485	C₅H₈O₂	Acetylacetone	acac
1486	C₄H₈O₂S	Sulfolane	sulfolane
1487	C₇H₁₀	Norbornene	norbornene
1488	CH(C₂H₃)₃	trivinyl methane	tvm
1489	C₆H₁₀O	cyclohexanone	chexo
1490	C₆H₁₂O	hexanal	c6h12o
1491	C₃H₇OC₃H₇	di-n-propyl ether	propr
1492	F₂CCCF₂	tetrafluoroallene	pfa
1493	CF₃COO^-	trifluoro acetate anion	cf3coo-
1494	CF₃COF	trifluoroacetyl fluoride	cf3cof
1495	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1496	PF₆	Hexafluorophosphate neutral	pf6
1497	PF₆^-	Hexafluorophosphate ion	pf6-
1498	SeF₆	Selenium hexafluoride	sef6
1499	SF₅Cl	sulfur chloropentafluoride	sf5cl
1500	CF₃CHF₂	pentafluoroethane	cf3chf2
1501	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1502	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1503	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1504	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1505	C₆H₅F	Fluorobenzene	bzf
1506	C₆H₅Cl	chlorobenzene	bzcl
1507	C₆H₅Br	bromobenzene	bzbr
1508	C₈H₆	Calicene	calicene
1509	C₆H₅CCH	phenylacetylene	phac
1510	C₈H₆	benzocyclobutadiene	bcbd
1511	C₈H₆	Pentalene	pentalene
1512	C₆H₅CHCH₂	Styrene	styrene
1513	C₈H₈	cyclooctatetraene	cot
1514	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1515	CH₃C₆H₄CH₃	meta-xylene	mxylene
1516	CH₃C₆H₄CH₃	paraxylene	pxylene
1517	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1518	C₈H₁₆	cyclooctane	cyclooct
1519	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1520	C₈H₁₈	Octane	c8h18
1521	C₆H₅CN	phenyl cyanide	phcn
1522	C₆H₁₂N₂	Triethylenediamine	ted
1523	C₄O₄^--	squarate dianion	c4o4--
1524	S₄N₄	Tetrasulfur tetranitride	s4n4
1525	S₈	Octasulfur	s8
1526	C₆H₄O₂	parabenzoquinone	pbq
1527	C₄H₄N₂O₂	Uracil	uracil
1528	C₆H₅OCH₃	Anisole	anisole
1529	C₅H₉NO₂	Proline	proline
1530	C₆H₁₂O₂	Methyl pivalate	c598981
1531	C₆H₁₂O₂	Hexanoic acid	hexa
1532	C₄F₄	tetrafluorcyclobutadiene	c4f4
1533	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1534	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1535	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1536	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1537	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1538	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1539	C₂F₆	hexafluoroethane	c2f6
1540	C₂Cl₆	hexachloroethane	c2cl6
1541	IF₇	Iodine heptafluoride	if7
1542	C₆H₄F₂	metadifluorobenzene	mdfb
1543	C₆H₄F₂	orthodifluorobenzene	odfb
1544	C₆H₄F₂	1,4-difluorobenzene	pdfb
1545	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1546	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1547	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1548	C₆H₅NO	nitrosobenzene	bzno
1549	C₉H₈	Indene	indene
1550	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1551	C₉H₁₂	n-propyl benzene	prbz
1552	C₉H₂₀	Nonane	nonane
1553	C(CN)₄	tetracyanomethane	c5n4
1554	C₅H₄N₄	purine	purine
1555	C₈H₇N	Indole	indole
1556	C₃H₃N₃O₃	cyanuric acid	cyanuric
1557	C₆H₅NO₂	Nitrobenzene	c6h5no2
1558	C₆H₅COOH	benzoic acid	benzo
1559	CH₃COC₆H₅	acetophenone	acph
1560	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1561	C₃F₆	hexafluoropropene	c3f6
1562	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1563	C₈H₁₈O	1-Octanol	octanol
1564	C₁₀H₈	Azulene	azu
1565	C₁₀H₈	naphthalene	naph
1566	C₁₀H₁₀	bullvalene	bullv
1567	C₁₀H₁₆	adamantane	adamantane
1568	C₆N₄	Tetracyanoethylene	tcne
1569	C₆N₄^-	tetracyanoethylene anion	tcne-
1570	C₁₀H₂₂	Decane	decane
1571	C₄F₆	perfluorobutadiene	c4f6
1572	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1573	C₃F₈	perfluoropropane	c3f8
1574	Fe(CO)₅	Iron pentacarbonyl	ipc
1575	Fe(C₅H₅)₂	ferrocene	fecp2
1576	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1577	C₁₂H₈	Acenaphthylene	acenaph
1578	C₁₂H₈	biphenylene	biph
1579	C₁₂H₁₀	biphenyl	biphenyl
1580	C₁₂H₁₀	Heptalene	heptalene
1581	C₆H₁₂O₆	Inositol	inositol
1582	C₆F₆	hexafluorobenzene	c6f6
1583	S₂F₁₀	disulphur decafluoride	s2f10
1584	C₁₄H₁₀	Anthracene	anth
1585	C₁₄H₁₀	Phenanthrene	phenanthrene
1586	C₁₄H₁₄	Bibenzyl	bibenzyl
1587	C₁₂H₁₀N₂	azobenzene	azobenzene
1588	C₆H₅COC₆H₅	benzophenone	benzophenone
1589	C₁₆H₁₀	Pyrene	pyrene
1590	C₁₈H₁₂	Tetracene	tetracene
1591	C₁₉H₁₆	Triphenylmethane	tpm
1592	C₂₄H₁₂	Coronene	coronene
1593	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