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

List of which calculations are completed at TPSSh /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	CH₄^-	Methane anion	²A₁	T_d
48	SiH₂D₂	silane-d2
49	SiH₄	Silane	¹A₁	T_d
50	GeH₄	Germane	¹A₁	T_d
51	SiH₅⁺	Silane, protonated
52	N	Nitrogen atom	⁴S	K_h
53	P	Phosphorus atom	⁴S	K_h
54	V⁺	Vanadium atom cation	⁵D	K_h
55	As	Arsenic atomic	⁴S	K_h
56	As^-	Arsenic anion	³P	K_h
57	As⁺	Arsenic cation	³P	K_h
58	PH	phosphorus monohydride	³Σ^-	C_∞v
59	AsH	Arsenic monohydride	³Σ	C_∞v
60	NH₂	Amino radical	²B₁	C_2v
61	NH₂⁺	Amino cation	³B₁	C_2v
62	NH₂⁺	Amino cation	¹A₁	C_2v
63	NH₃	Ammonia	¹A₁	C_3v
64	PH₃	Phosphine	¹A₁	C_3v
65	PH₃⁺	Phosphine cation	²A₁	C_3v
66	AsH₃	Arsine	¹A₁	C_3v
67	AsH₃⁺	Arsine cation	²A₁	C_3v
68	AsH₄⁺	Arsonium
69	NH₄	Ammonium radical
70	NH₄⁺	ammonium cation	¹A₁	T_d
71	PH₄	Phosphoranyl radical
72	PH₄⁺	phosphonium cation
73	O	Oxygen atom	³S	K_h
74	S	Sulfur atom	³P	K_h
75	S	Sulfur atom
76	S^-	Sulfur atom anion	²P	K_h
77	S⁺	Sulfur atom cation	⁴S	K_h
78	Se	Selenium atom	³P	K_h
79	Se^-	Selenium atom anion	²P	K_h
80	Se⁺	Selenium atom cation	⁴S	K_h
81	OH	Hydroxyl radical	²Π	C_∞v
82	OH^-	hydroxide anion	¹Σ	C_∞v
83	OH⁺	hydoxyl cation	³Σ	C_∞v
84	HS^-	mercapto anion	¹Σ	C_∞v
85	HS⁺	sulfur monohydride cation	³Σ	C_∞v
86	CrH	Chromium hydride	⁶Σ	C_∞v
87	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
88	HSe	Selenium monohydride	²Π	C_∞v
89	HSe^-	selenium monohydride anion	¹Σ	C_∞v
90	HSe⁺	selenium monohydride cation	³Σ	C_∞v
91	H₂O	Water	¹A₁	C_2v
92	H₂O^-	water anion	²A₁	C_2v
93	H₂O^-	water anion	²A^'	C_s
94	H₂O⁺	water cation	²B₁	C_2v
95	HDO	Water-d1	¹A₁	C_2v
96	H₂S	Hydrogen sulfide	¹A₁	C_2v
97	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
98	H₂Se	Hydrogen selenide	¹A₁	C_2v
99	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
100	H₃O⁺	hydronium cation	¹A₁	C_3v
101	H₃S⁺	Sulfonium cation	¹A₁	C_3v
102	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
103	F	Fluorine atom	²P	K_h
104	F^-	Fluorine atom anion	¹S	K_h
105	F⁺	Fluorine atom cation	³S	K_h
106	F⁺	Fluorine atom cation	¹D	K_h
107	Cl	Chlorine atom	²P	K_h
108	Cl^-	Chlorine atom anion	¹S	K_h
109	Cl⁺	Chlorine atom cation	³P	K_h
110	Cl⁺	Chlorine atom cation	¹D	K_h
111	Br	Bromine atom	²P	K_h
112	Br^-	Bromine atom anion	¹S	K_h
113	Br⁺	Bromine atom cation	³P	K_h
114	HF	Hydrogen fluoride	¹Σ	C_∞v
115	HF^-	hydrogen fluoride anion	²Σ	C_∞v
116	HF⁺	hydrogen fluoride cation	²Π	C_∞v
117	HCl	Hydrogen chloride	¹Σ	C_∞v
118	HCl^-	hydrogen chloride anion	²Σ	C_∞v
119	HCl⁺	hydrogen chloride cation	²Π	C_∞v
120	HBr	hydrogen bromide	¹Σ	C_∞v
121	HBr^-	hydrogen bromide anion	²Σ	C_∞v
122	HBr⁺	hydrogen bromide cation	²Π	C_∞v
123	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
124	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
125	Ne	Neon atom
126	Kr	Krypton atom	¹S	K_h
127	Kr⁺	Krypton cation	²P	K_h
128	HeLi⁺	Helium Lithium cation
129	ArH⁺	Argon hydride cation	¹Σ	C_∞v
130	KrH⁺	Protonated Krypton	¹Σ	C_∞v
131	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
132	NaLi	lithium sodium	¹Σ	C_∞v
133	Na₂	Sodium diatomic	¹Σ_g	D_∞h
134	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
135	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
136	LiAl	Lithium Aluminum
137	NaAl	Sodium aluminum	¹Σ	C_∞v
138	BGa	Boron Gallium	³Σ	C_∞v
139	AlGa	Aluminum Gallium	³Σ	C_∞v
140	AlGa	Aluminum Gallium	¹Σ	C_∞v
141	HBBH	Diborane(2)	³Σ_G	D_∞h
142	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
143	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
144	B₂H₆	Diborane	¹A_g	D_2h
145	B₂H₆⁺	Diborane cation
146	CaC	Calcium monocarbide
147	BSi	Boron silicide	⁴Σ	C_∞v
148	BSi	Boron silicide	²Σ	C_∞v
149	GeC	Germanium monocarbide	¹Σ	C_∞v
150	SiGe	Silicon Germanium
151	C₂H	Ethynyl radical	²Σ	C_∞v
152	C₂H^-	Ethynyl anion	¹Σ	C_∞v
153	C₂H₂	Acetylene	¹Σ_g	D_∞h
154	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
155	C₂H₂⁺	acetylene cation
156	H₂CC^-	vinylidene anion
157	HCCH^-	acetylene anion
158	HCCH^-	acetylene anion
159	Si₂H₂	disilyne
160	Si₂H₂	disilyne
161	Si₂H₂	disilyne
162	Si₂H₂	disilyne
163	CH₃Li	methyl lithium	¹A₁	C_3v
164	CH₂BH	methyleneborane	¹A₁	C_2v
165	C₂H₃	vinyl	²A^'	C_s
166	C₂H₃^-	vinyl anion	¹A^'	C_s
167	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
168	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
169	C₂H₄	Ethylene	¹A_g	D_2h
170	C₂H₄⁺	Ethylene cation	²B₃	D₂
171	Si₂H₄	Disilene
172	Si₂H₄	Disilene
173	Si₂H₄	Disilene
174	CH₃BH₂	methylborane	¹A^'	C_s
175	C₂H₅	Ethyl radical	²A^'	C_s
176	C₂H₆	Ethane	¹A_1g	D_3d
177	Si₂H₆	disilane	¹E_u	D_3d
178	LiN	Lithium Nitride	³Σ	C_∞v
179	LiP	Lithium monophosphide
180	LiP	Lithium monophosphide
181	MgN	Magnesium Nitride
182	MgN	Magnesium Nitride
183	BP	Boron monophosphide	³Π	C_∞v
184	BP	Boron monophosphide	¹Σ	C_∞v
185	GaP	Gallium monophosphide	³Σ	C_∞v
186	GaP	Gallium monophosphide	¹Σ	C_∞v
187	GaAs	Gallium arsenide	³Π
188	GaAs	Gallium arsenide	¹Σ
189	CN	Cyano radical	²Σ	C_∞v
190	SiP	Silicon monophosphide	²Π	C_∞v
191	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
192	N₂	Nitrogen diatomic
193	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
194	PN	Phosphorus mononitride	¹Σ	C_∞v
195	HCN	Hydrogen cyanide	¹Σ	C_∞v
196	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
197	HNC⁺	hydrogen isocyanide cation
198	HCP⁺	Phosphaethyne cation
199	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
200	LiNH₂	lithium amide
201	HBNH	Boranimine	¹Σ	C_∞v
202	H₂NN	Isodiazene
203	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
204	CH₂NH	Methanimine	¹A^'	C_s
205	CH₂NH⁺	Methanimine cation
206	CHNH₂	aminomethylene
207	CHNH₂⁺	Aminocarbene cation
208	BH₂NH₂	Boranamine
209	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
210	N₂H₄	Hydrazine	¹A	C₂
211	CH₃NH₂	methyl amine	¹A^'	C_s
212	SiH₃NH₂	Silane, amino
213	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
214	BH₃PH₃	borane phosphine
215	BH₃NH₃	borane ammonia	¹A₁	C_3v
216	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
217	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
218	N₂H₇⁺	ammonia ammonium dimer
219	LiSe	Lithium monoselenide
220	CaO	Calcium monoxide	¹Σ	C_∞v
221	BO	boron monoxide	²Σ	C_∞v
222	GaO	Gallium monoxide	²Σ	C_∞v
223	GaS	Gallium monosulfide
224	CO	Carbon monoxide	¹Σ	C_∞v
225	CO^-	carbon monoxide anion	²Π	C_∞v
226	CO⁺	carbon monoxide cation	²Σ	C_∞v
227	SiO	Silicon monoxide	¹Σ	C_∞v
228	SiS	silicon monosulfide	¹Σ	C_∞v
229	CSe	Carbon monoselenide	¹Σ	C_∞v
230	GeO	Germanium monoxide	¹Σ	C_∞v
231	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
232	GeS	Germanium monosulfide	¹Σ	C_∞v
233	SiSe	Silicon Monoselenide
234	SiSe⁺	Silicon Monoselenide cation
235	GeSe	Germanium monoselenide
236	NO	Nitric oxide	²Π	C_∞v
237	NO^-	nitric oxide anion	³Σ	C_∞v
238	NO⁺	nitric oxide cation	¹Σ	C_∞v
239	NS	Mononitrogen monosulfide	²Π	C_∞v
240	PO	Phosphorus monoxide	²Π	C_∞v
241	PS	phosphorus sulfide	²Σ	C_∞v
242	NSe	Nitrogen monoselenide	²Π	C_∞v
243	AsS	Arsenic monosulfide	²Π	C_∞v
244	PSe	Phosphorus monoselenide	²Π	C_∞v
245	AsSe	Arsenic monoselenide	²Π	C_∞v
246	O₂	Oxygen diatomic	³Σ_g	D_∞h
247	O₂^-	oxygen diatomic anion	²Π	D_∞h
248	O₂^--	dioxygen dianion
249	SO	Sulfur monoxide	³Σ	C_∞v
250	SO	Sulfur monoxide	¹Σ	C_∞v
251	SO⁺	sulfur monoxide cation	²Π	C_∞v
252	S₂	Sulfur diatomic	³Σ_g	D_∞h
253	SeO	Selenium monoxide	³Σ	C_∞v
254	Se₂	Selenium diatomic	³Σ_g	D_∞h
255	LiOH	lithium hydroxide	¹Σ	C_∞v
256	BeOH	beryllium monohydroxide	²A^'	C_s
257	HBO	Boron hydride oxide	¹Σ	C_∞v
258	HBS	hydrogen boron sulfide	¹Σ	C_∞v
259	COH	Hydroxymethylidyne
260	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
261	HCO	Formyl radical	²A^'	C_s
262	HCO^-	formyl anion	¹A^'	C_s
263	HCO⁺	Formyl cation	¹Σ	C_∞v
264	HNO	Nitrosyl hydride	¹A^'	C_s
265	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
266	NOH	Hydroxyimidogen	³A^"	C_s
267	NOH⁺	O-protonated nitric oxide	²A^'	C_s
268	HO₂⁺	Hydroperoxy cation	³A^"	C_s
269	HSO⁺	Sulfur Monoxide, S-protonated
270	SOH	Sulfur Hydroxide
271	SOH⁺	Sulfur Monoxide, protonated
272	H₂CO	Formaldehyde	¹A₁	C_2v
273	H₂CO^-	formaldehyde anion	²A^'	C_s
274	H₂CO^-	formaldehyde anion
275	H₂CO⁺	formaldehyde cation	²B₂	C_2v
276	H₂CS	Thioformaldehyde	¹A₁	C_2v
277	H₂CS^-	thioformaldehyde anion
278	H₂CS^-	thioformaldehyde anion
279	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
280	H₂CSe	Selenoformaldehyde
281	H₂O₂	Hydrogen peroxide	¹A	C₂
282	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
283	H₂OO	water oxide
284	HOSH	hydrogen thioperoxide
285	H₂S₂	Disulfane	¹A	C₂
286	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
287	H₂Se₂	hydrogen diselenide
288	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
289	CH₃O^-	methoxy anion	¹A₁	C_3v
290	CH₃O⁺	Methoxy cation	³A₁	C_3v
291	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
292	NH₂OH	hydroxylamine	¹A^'	C_s
293	NH₂OH⁺	Hydroxylamine cation
294	NH₂SH	Thiohydroxylamine
295	CH₃OH	Methyl alcohol	¹A^'	C_s
296	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
297	CH₃SH	Methanethiol	¹A^'	C_s
298	CH₃SH⁺	Methanethiol cation	²A^"	C_s
299	SiH₃OH	silanol
300	NH₂OH₂⁺	protonated hydroxylamine
301	NH₃OH⁺	N-protonated hydroxylamine
302	H₂OH₂O	water dimer	¹A^'	C_s
303	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
304	LiF	lithium fluoride	¹Σ	C_∞v
305	LiCl	lithium chloride	¹Σ	C_∞v
306	NaF⁺	sodium fluoride cation	²Σ	C_∞v
307	LiBr	Lithium Bromide	¹Σ	C_∞v
308	LiF⁺	lithium fluoride cation	²Π	C_∞v
309	ZnF	Zinc monofluoride	²Σ	C_∞v
310	CaBr	Calcium monobromide
311	BF	Boron monofluoride	¹Σ	C_∞v
312	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
313	GaF	Gallium monofluoride	¹Σ	C_∞v
314	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
315	AlBr	Aluminum monobromide
316	GaCl	Gallium monochloride	¹Σ_G	C_∞v
317	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
318	GaBr	Gallium monobromide
319	CF	Fluoromethylidyne	²Π	C_∞v
320	SiF	silicon monofluoride	²Π	C_∞v
321	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
322	SiCl	Clorosilylidyne	²Π	C_∞v
323	CBr	Carbon monobromide	²Π	C_∞v
324	GeF	Germanium monofluoride	²Π	C_∞v
325	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
326	GeCl	Germanium monochloride	²Π	C_∞v
327	GeCl⁺	Germanium monochloride cation
328	SiBr	Silicon monobromide	²Π	C_∞v
329	SiBr⁺	Silicon monobromide cation
330	NCl	nitrogen monochloride	³Σ	C_∞v
331	AsCl	Arsenic monochloride	³Σ	C_∞v
332	PBr	Phosphorus monobromide
333	ClO	Monochlorine monoxide	²Π	C_∞v
334	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
335	SF	Monosulfur monofluoride	²Π	C_∞v
336	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
337	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
338	BrO	Bromine monoxide	²Π	C_∞v
339	BrO⁺	Bromine monoxide cation
340	SBr	Sulfur monobromide radical
341	SBr⁺	Sulfur monobromide cation
342	SeCl	Selenium monochloride	²Π	C_∞v
343	SeBr	Selenium monobromide
344	BrCl	Bromine monochloride	¹Σ	C_∞v
345	F₂	Fluorine diatomic	¹Σ_g	D_∞h
346	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
347	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
348	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
349	ClF⁺	clorine monofluoride cation	²Π	C_∞v
350	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
351	BrF	Bromine monofluoride	¹Σ	C_∞v
352	Br₂	Bromine diatomic	¹Σ_g	D_∞h
353	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
354	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
355	HCF	Fluoromethylene	¹A^'	C_s
356	HCF	Fluoromethylene	³A^"	C_s
357	HSiF	fluorosilylene
358	HSiCl	Chlorosilylene
359	HSiBr	monobromosilylene
360	HOF	Hypofluorous acid	¹A^'	C_s
361	HOCl	hypochlorous acid	¹A^'	C_s
362	HOCl⁺	hypochlorous acid cation
363	F₂H⁺	Fluorine, protonated	¹A^'	C_s
364	ClFH⁺	Chlorine fluoride, F-protonated
365	FClH⁺	Chlorine fluoride, Cl-protonated
366	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
367	CH₂Br	bromomethyl radical
368	CH₂F	fluoromethyl radical	²A	C_s
369	CH₂F⁺	fluoromethyl cation
370	CH₂Cl⁺	chloromethyl cation
371	CH₂Cl	chloromethyl radical	²A^'	C_s
372	CH₂Cl	chloromethyl radical	²B₁	C_2v
373	NH₂Cl	chloramine	¹A^'	C_s
374	CH₃F⁺	methyl fluoride cation
375	CH₃F	Methyl fluoride	¹A₁	C_3v
376	CH₃Cl	Methyl chloride	¹A₁	C_3v
377	CH₃Cl⁺	Methyl chloride cation
378	SiH₃F	monofluorosilane	¹A₁	C_3v
379	SiH₃Cl	chlorosilane	¹A₁	C₁
380	CH₃Br	methyl bromide	¹A₁	C_3v
381	GeH₃F	monofluorogermane
382	GeH₃Cl	monochlorogermane
383	NH₃Cl⁺	protonated monochloroammonia
384	CH₃ClH⁺	methyl chloride, protonated
385	NH₄Cl	Ammonium chloride
386	LiNe⁺	Lithium Neon cation
387	Ar₂	Argon diatomic	¹S_g	D_∞h
388	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
389	C₃	carbon trimer	¹Σ_g	D_∞h
390	C₃	carbon trimer	¹A₁	C_2v
391	SiC₂	Silicon dicarbide
392	C₃H₄	cyclopropene	¹A₁	C_2v
393	CH₂CCH₂	allene	¹A₁	D_2d
394	CH₃CCH	propyne	¹A^'	C_3v
395	C₃H₆	Cyclopropane	¹A₁^'	D_3h
396	CH₂CHCH₃	Propene	¹A^'	C_s
397	C₃H₇	n-Propyl radical	²A^"	C₁
398	C₃H₇⁺	cyclopropane, protonated
399	CH₃CHCH₃	Isopropyl radical	²A	C₂
400	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
401	C₃H₈	Propane	¹A₁	C_2v
402	Si₃H₈	trisilane
403	LiCN	lithium cyanide	¹Σ	C*V LiCN
404	ZnCN	Zinc monocyanide	²Σ	C_∞v
405	ZnNC	Zinc isocyanide	²Σ	C_∞v
406	AlCN	Aluminum monocyanide
407	AlNC	Aluminum isocyanide
408	CNN	Diazocarbene
409	N₃	azide radical	²Π_g	D_∞h
410	N₃⁺	azide cation	³Σ	C_∞v
411	HN₃	hydrogen azide	¹A^'	C_s
412	HN₃⁺	Hydrazoic acid cation
413	HNCNH	diiminomethane	¹A	C₂
414	HNNNH⁺	1,2-Triazadienium
415	NH₂NN⁺	hydrazoic acid, protonated
416	CH₃CN	Acetonitrile	¹A₁	C_3v
417	HCNCH₂⁺	2H-Azirine cation
418	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
419	NH₂CNH⁺	cyanamide, cn protonated
420	NH₃CN⁺	cyanamide, amine protonated
421	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
422	CH₃CH₂NH₂	Ethylamine
423	Li₂O	dilithium oxide	¹Σ_g	D_∞h
424	Na₂O	disodium monoxide	¹Σ_g	Linear
425	Na₂O	disodium monoxide	¹A₁	C_2v
426	Na₂S	Sodium sulfide
427	Na₂S	Sodium sulfide
428	LiO₂	Lithium dioxide
429	NaO₂	Sodium superoxide
430	NCO	isocyanato radical	²Π	C_∞v
431	N₂O	Nitrous oxide	¹Σ	C_∞v
432	CO₂	Carbon dioxide	¹Σ_g	D_∞h
433	OCS	Carbonyl sulfide	¹Σ	C_∞v
434	CS₂	Carbon disulfide	¹Σ_g	D_∞h
435	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
436	OCSe	Carbonyl selenide	¹Σ	C_∞v
437	SCSe	Carbon sulfide selenide
438	NO₂	Nitrogen dioxide	²A₁	C_2v
439	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
440	NSO	sulfinyl amidogen
441	SNO	Nitrogen oxide sulfide
442	O₃	Ozone	¹A₁	C_s
443	SO₂	Sulfur dioxide	¹A₁	C_2v
444	SSO	Disulfur monoxide	¹A^'	C_s
445	S₃	Sulfur trimer	¹A₁	C_2v
446	S₃	Sulfur trimer
447	SeO₂	Selenium dioxide	¹A₁	C_2v
448	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
449	HCCO	ketenyl radical	²Π	C_∞v
450	HCCO	ketenyl radical	²A^"	C_s
451	HCNO	fulminic acid	¹Σ	C_∞v
452	HOCO	Hydrocarboxyl radical	¹A^'	cis
453	HOCO	Hydrocarboxyl radical	¹A^'	trans
454	O₃H⁺	protonated ozone	¹A^'	C_s
455	O₃H⁺	protonated ozone
456	C₂H₂O	Oxirene	¹A₁	C_2v
457	CH₂CO	Ketene	¹A₁	C_2v
458	CH₂CS	Thioketene
459	Be(OH)₂	Beryllium hydroxide
460	H₂COO	Dioxymethyl radical	²A^'	C_s
461	H₂COO⁺	dioxymethyl cation	²A^'	C_s
462	HCOOH	Formic acid	¹A^'	C_s
463	HCOOH	Formic acid
464	BH₃CO	Borane carbonyl	¹A₁	C_3v
465	CH₂COH⁺	ketene, protonated
466	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
467	NHCHSH	Methanimidothioic acid
468	C₂H₄O	Ethylene oxide	¹A₁	C_2v
469	C₂H₄O⁺	ethylene oxide cation
470	CH₃CHO	Acetaldehyde	¹A^'	C_s
471	CH₃CHO⁺	acetaldehyde cation
472	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
473	C₂H₄S	Thiirane	¹A₁	C_2v
474	CH₂CHSH	Ethenethiol
475	NH₂CHOH⁺	Formamide, O-protonated
476	CH₃SSH	Hydrogen methyl disulfide
477	HSCH₂SH	Methanedithiol
478	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
479	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
480	CH₃CH₂OH	Ethanol	¹A^'	C_s
481	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
482	CH₃CH₂SH	ethanethiol	¹A^'	C_s
483	CH₃CH₂SH	ethanethiol	¹A	C₁
484	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
485	CH₃SCH₃⁺	dimethyl sulfide cation
486	CNF	iso cyanogen fluoride	¹Σ	C_∞v
487	BrCN	Cyanogen bromide	¹Σ	C_∞v
488	FBO	Boron monofluoride monoxide
489	BeBr₂	Beryllium bromide
490	BF₂	Boron difluoride radical	²A₁	C_2v
491	FNO	Nitrosyl fluoride	¹A^'	C_s
492	ClNO	Nitrosyl chloride	¹A^'	C_s
493	FNS	Thionitrosyl fluoride	¹A^'	C_s
494	FSN	Thiazyl fluoride	¹A^'	C_s
495	OPCl	Phosphorus oxychloride
496	CF₂	Difluoromethylene	¹A₁	D_∞h
497	CFCl	chlorofluoromethylene	¹A^'	C_s
498	SiF₂	Silicon difluoride	¹A₁	C_2v
499	GeCl₂	Germanium dichloride	¹A₁	C_2v
500	FOO⁺	Fluorine dioxide cation
501	OClO	Chlorine dioxide	²B₁	D_∞h
502	OClO^-	Chlorine dioxide anion	¹A^'	C_s
503	ClSO	Sulfur chloride oxide	²A^"	C_s
504	BrOO	Bromine dioxide
505	OBrO	Bromine dioxide radical	²B₁	C_2v
506	PF₂	Phosphorus difluoride
507	PF₂⁺	Phosphorus difluoride cation
508	FClO	chlorosyl fluoride	¹A^'	C_s
509	ClOF	Chlorine hypofluorite	¹A^'	C_s
510	SF₂	sulfur difluoride	¹A₁	C_2v
511	SeF₂	Selenium difluoride
512	SeCl₂	Selenium Dichloride
513	SBr₂	Sulfur dibromide
514	SeBr₂	Selenium dibromide
515	Br₃^-	tribromide anion
516	SFCl	Sulfur chloride fluoride
517	HCCF	Fluoroacetylene	¹Σ	C_∞v
518	CHF₂	difluoromethyl radical	²A	C_s
519	CHF₂⁺	difluoromethyl cation
520	CHFCl	Chlorofluoromethyl radical
521	CHFCl⁺	Chlorofluoromethyl cation
522	CHCl₂⁺	dichloromethyl cation
523	NHF₂	difluoramine
524	NHCl₂	dichloroamine
525	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
526	SiH₂F₂	difluorosilane
527	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
528	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
529	CH₂Br₂	dibromomethane	¹A₁	C_2v
530	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
531	CH₃MgBr	Methyl Magnesium Bromide
532	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
533	CH₂FOH	fluoromethanol
534	C₂H₅Br	Ethyl bromide	¹A^'	C_s
535	C₄	Carbon tetramer	³Σ_g	D_∞h
536	C₄	Carbon tetramer
537	C₄H₄	Tetrahedrane
538	C₄H₆	1-Methylcyclopropene	¹A	C₁
539	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
540	C₂N₂	Cyanogen	¹Σ_g	D_∞h
541	As₄	Arsenic tetramer	¹A₁	T_d
542	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
543	H₂CNCN	cyanamide, methylene
544	HNCCNH	Ethenediimine
545	C₂H₅CN	ethyl cyanide	¹A^'	C_s
546	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
547	CH₇N₃	triaminomethane
548	N(SiH₃)₃	trisilylamine
549	C₃O	Tricarbon monoxide	¹Σ	C_∞v
550	ONNO	NO dimer	¹A_g	trans C2H
551	ONNO	NO dimer	¹A₁	cis C2V
552	S₂N₂	Disulfur dinitride	¹A_G	D_2h
553	SO₃	Sulfur trioxide	¹A₁^'	D_3h
554	SO₃^--	Sulfate dianion
555	S₄	Sulfur tetramer
556	S₄	Sulfur tetramer
557	S₄	Sulfur tetramer
558	HNO₃	Nitric acid	¹A^'	C_s
559	C₃H₂O	Propadienal
560	C₃H₂O	Propadienal
561	C₂H₂O₂	Ethanedial	¹A_g	C_2h
562	C₂H₃NO	Nitrosoethylene
563	CH₃NCO	methylisocyante
564	CH₃NO₂	Methane, nitro-	¹A^'	C_s
565	H₃AlO₃	Aluminum hydroxide
566	CH₂CHCHO	Acrolein	¹A^'	C_s
567	CH₂CHCHO	Acrolein
568	CH₃CH₂CHO	Propanal	¹A^'	C_s
569	CH₃COCH₃	Acetone	¹A₁	C_2v
570	CH₃SOCH₃	Dimethyl sulfoxide	¹A^'	C_s
571	C₃H₇OH	1-Propanol
572	Li₂F₂	Lithium fluoride dimer
573	CF₂O	Carbonic difluoride	¹A₁	C_2v
574	CF₂O⁺	Carbonic difluoride cation
575	BF₃⁺	boron trifluoride cation
576	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
577	BCl₃⁺	Boron Trichloride cation
578	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
579	CF₂Cl	difluorochloromethyl radical
580	CFCl₂	dichlorofluoromethyl radical
581	ClO₂F	Chloryl fluoride	¹A^'	C_s
582	SSCl₂	Thiothionyl chloride
583	NF₃	Nitrogen trifluoride	¹A₁	C_3v
584	NCl₃	nitrogen trichloride	¹A₁	C_3v
585	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
586	HClO₃	Chloric Acid	¹A^'	C_s
587	HClO₃	Chloric Acid	¹A	C₁
588	CHF₃	Methane, trifluoro-	¹A₁	C_3v
589	SiHF₃	trifluorosilane
590	CHCl₃	Chloroform	¹A₁	C_3v
591	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
592	CHFClBr	fluorochlorobromomethane	¹A	C₁
593	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
594	AsF₃H⁺	Arsenic trifluoride, protonated
595	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
596	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
597	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
598	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
599	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
600	CH₂CHCH₂F	Allyl Fluoride
601	CH₂CHCH₂F	Allyl Fluoride
602	CH₃CHCHF	trans-1-Fluoro-1-propene
603	CH₂FCH₂OH	2-fluoroethanol
604	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
605	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
606	B₅H₉	pentaborane9
607	C₅H₄	pentatetraene
608	C₅H₈	Bicyclo[1.1.1]pentane
609	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
610	B₂O₃	diboron trioxide
611	B₂O₃	diboron trioxide
612	C₃H₃NO	Isoxazole	¹A^'	C_s
613	C₄H₄O	Furan	¹A₁	C₂
614	CH₂CHSCHCH₂	Divinyl sulfide
615	C₄H₁₀O	Ethoxy ethane	¹A₁	C_2v
616	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
617	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
618	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
619	GeF₄	Germanium tetrafluoride	¹A₁	T_d
620	CCl₄	Carbon tetrachloride	¹A₁	T_d
621	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
622	CH₂ClCCCl	1,3-dichloropropyne
623	CHCl₂CCH	3,3-dichloropropyne
624	C₂H₂N₂O	Furazan
625	C₆H₆	Benzene	¹A_1g	D_6h
626	N₂O₄	Dinitrogen tetroxide	¹A_g	D_2d
627	C₃H₂O₃	vinylene carbonate
628	C₂H₄O₄	Formic acid dimer	¹A_G	C_2h
629	C₅H₆O	2H-Pyran
630	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
631	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
632	C₄H₈O₂	Ethyl acetate	¹A^'	C_s
633	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
634	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
635	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
636	C₅H₄O₂	furfural	¹A^'	OCCO cis
637	C₅H₄O₂	furfural	¹A^'	OCCO trans
638	C₆H₁₂O	Oxepane
639	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
640	C₈H₈	cubane	¹A_1G	O_h
641	C₆H₅CHO	benzaldehyde	¹A^'	C_s
642	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)
643	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 cation	ch4+
105	CHD₃	methane-d3	chd3
106	SiH₄⁺	Silane cation	sih4+
107	SnH₄	Stannane	snh4
108	N^-	Nitrogen atom anion	n-
109	N⁺	Nitrogen atom cation	n+
110	P^-	Phosphorus atom anion	p-
111	P⁺	Phosphorus atom cation	p+
112	V	Vanadium atom	v
113	Sb	Antimony atom	sb
114	NH	Imidogen	nh
115	NH^-	Imidogen anion	nh-
116	NH⁺	imidogen cation	nh+
117	PH^-	phosphorus monohydride anion	ph-
118	PH⁺	phosphorus monohydride cation	ph+
119	AsH⁺	Arsenic monohydride cation	ash+
120	SbH	Antimony monohydride	sbh
121	ND₂	Amidogen-d2	nd2
122	NH₂^-	amino anion	nh2-
123	PH₂	Phosphino radical	ph2
124	PH₂^-	Phosphino anion	ph2-
125	PH₂⁺	Phosphino cation	ph2+
126	AsH₂	Arsenic dihydride	ash2
127	AsH₂⁺	Arsenic dihydride cation	ash2+
128	ND₃	Ammonia-d3	nd3
129	NH₃^-	Ammonia anion	nh3-
130	NH₃⁺	ammonia cation	nh3+
131	SbH₃	Stibine	sbh3
132	O^-	Oxygen atom anion	o-
133	O⁺	Oxygen atom cation	o+
134	Cr	Chromium atom	cr
135	Te	Tellurium atom	te
136	Te⁺	Tellurium atom cation	te+
137	DO	Hydroxyl-d	od
138	DS	Mercapto-d	ds
139	HS	Mercapto radical	hs
140	TeH	Telluryl radical	teh
141	D₂O	Deuterium oxide	d2o
142	D₂S	Hydrogen sulfide-d2	d2s
143	H₂S^-	Hydrogen sulfide anion	h2s-
144	H₂Te	Hydrogen Telluride	h2te
145	Mn	Manganese atom	mn
146	I	Iodine atom	iodine
147	I^-	Iodine atom anion	iodine-
148	I⁺	Iodine atom cation	iodine+
149	DF	Hydrofluoric acid-d	df
150	DCl	Hydrochloric acid-d	dcl
151	HI	Hydrogen iodide	hi
152	HI⁺	Hydrogen iodide cation	hi+
153	H₂F⁺	dihydrogen fluoride cation	h2f+
154	H₂I⁺	Iodonium	h2i+
155	Ne	Neon atom	ne
156	Ne^-	Neon atom anion	ne-
157	Ne⁺	Neon atom cation	ne+
158	Ar	Argon atom	ar
159	Ar^-	Argon atom anion	ar-
160	Ar⁺	Argon atom cation	ar+
161	Fe	Iron atom	fe
162	Xe	Xenon atom	xe
163	NeH	neon hydrogen	neh
164	NeH⁺	neon hydrogen cation	neh+
165	XeH⁺	Xenon, protonated	xeh+
166	Co	Cobalt atom	cobalt
167	Ni	Nickel atom	ni
168	Li₂	Lithium diatomic	li2
169	Li₂^-	lithium diatomic anion	li2-
170	Li₂⁺	lithium diatomic cation	li2+
171	NaLi^-	lithium sodium anion	lina-
172	NaLi⁺	lithium sodium cation	lina+
173	LiK	Lithium Potassium	lik
174	NaK	Sodium Potassium	nak
175	NaK⁺	Sodium Potassium diatomic cation	nak+
176	K₂	Potassium diatomic	k2
177	Cu₂	Copper diatomic	cu2
178	LiBe	Lithium Beryllium	libe
179	LiMg	Lithium magnesium	limg
180	NaBe	Sodium Beryllium	nabe
181	NaMg	Sodium Magnesium	namg
182	Be₂	Beryllium diatomic	be2
183	Be₂^-	Beryllium diatomic anion	be2-
184	Be₂⁺	Beryllium diatomic cation	be2+
185	BeMg	Beryllium Magnesium	bemg
186	Mg₂	Magnesium diatomic	mg2
187	Mg₂^-	magnesium diatomic anion	mg2-
188	Mg₂⁺	magnesium diatomic cation	mg2+
189	Ca₂	Calcium diatomic	ca2
190	LiB	Lithium boride	lib
191	BeB	Beryllium monoboride	beb
192	B₂	Boron diatomic	b2
193	B₂^-	Boron diatomic anion	b2-
194	B₂⁺	Boron diatomic cation	b2+
195	BAl	Boron Aluminum	bal
196	Al₂	Aluminum diatomic	al2
197	Al₂^-	aluminum diatomic anion	al2-
198	Al₂⁺	aluminum diatomic cation	al2+
199	Ga₂	Gallium diatomic	ga2
200	LiBH₄	Lithium borohydride	libh4
201	Al₂H₆	dialane	al2h6
202	Ga₂H₆	digallane	ga2h6
203	LiC	Lithium Carbide	lic
204	BeC	Beryllium Carbide	bec
205	BC	boron monocarbide	bc
206	BC^-	boron monocarbide anion	bc-
207	BC⁺	boron monocarbide cation	bc+
208	AlC	Aluminum carbide	alc
209	C₂	Carbon diatomic	c2
210	C₂^-	carbon diatomic anion	c2-
211	C₂⁺	carbon diatomic cation	c2+
212	SiC	silicon monocarbide	sic
213	SiC^-	silicon monocarbide anion	sic-
214	SiC⁺	silicon monocarbide cation	sic+
215	Si₂	Silicon diatomic	si2
216	Si₂^-	silcon diatomic anion	si2-
217	Si₂⁺	silcon diatomic cation	si2+
218	Ge₂	Germanium diatomic	ge2
219	C₂H⁺	Ethynyl cation	c2h+
220	ZnCH₂	Zinc methylene	znch2
221	CCH₂	vinylidene	vinylidene
222	CuCH₃	monomethyl copper	cuch3
223	ZnCH₃	Zinc monomethyl	znch3
224	C₂H₄^-	Ethylene anion	c2h4-
225	CH₃CH	methylmethylene	ch3ch
226	CH₂SiH₂	silaethylene	ch2sih2
227	C₂H₅^-	Ethyl anion	c2h5-
228	C₂H₅⁺	Ethyl cation	c2h5+
229	C₂H₆⁺	ethane cation	c2h6+
230	CH₃SiH₃	methyl silane	ch3sih3
231	GeH₃CH₃	methyl germane	geh3ch3
232	C₂H₇⁺	Ethane, protonated	c2h7+
233	LiN⁺	Lithium Nitride cation	lin+
234	BeN	Beryllium mononitride	ben
235	BeN^-	Beryllium mononitride anion	ben-
236	BeN⁺	Beryllium mononitride cation	ben+
237	BN^-	boron nitride anion	bn-
238	AlN^-	aluminum mononitride anion	aln-
239	AlN⁺	aluminum mononitride cation	aln+
240	AlP	Aluminum monophosphide	alp
241	GaN	Gallium mononitride	gan
242	BN	boron nitride	bn
243	BN⁺	boron nitride cation	bn+
244	AlN	Aluminum nitride	aln
245	CN^-	cyanide anion	cn-
246	CN⁺	Cyano cation	cn+
247	CP	Carbon monophosphide	cp
248	CP^-	carbon monophosphide anion	cp-
249	CP⁺	carbon monophosphide cation	cp+
250	SiN	Silicon nitride	sin
251	SiN^-	silicon mononitride anion	sin-
252	SiN⁺	silicon mononitride cation	sin+
253	SiP^-	Silicon monophosphide anion	sip-
254	SiP⁺	Silicon monophosphide cation	sip+
255	TiN	Titanium mononitride	tin
256	N₂⁺	diatomic nitrogen cation	n2+
257	PN^-	phosphorus nitride anion	pn-
258	PN⁺	phosphorus nitride cation	pn+
259	P₂	Phosphorus diatomic	p2
260	P₂^-	phosphorus diatomic anion	p2-
261	P₂⁺	phosphorus diatomic cation	p2+
262	AsN	Arsenic mononitride	asn
263	AsP	Arsenic monophosphide	asp
264	SbN	Antimony nitride	sbn
265	As₂	Arsenic diatomic	as2
266	HNB	hydrogen nitrogen boron	hnb
267	HNC	hydrogen isocyanide	hnc
268	HCN^-	Hydrogen cyanide anion	hcn-
269	HCP	Phosphaethyne	hcp
270	NNH	Dinitrogen monohydride	nnh
271	HPO	Hydrogen phosphorus oxide	hpo
272	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
273	CNH₂	Aminomethylidyne radical	cnh2
274	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
275	H₂CN	Dihydrogen cyanide radical	h2cn
276	H₂CN⁺	hydrocyanonium cation	h2cn+
277	HCNH	methyleneazane	hcnh
278	HCNH⁺	N-protonated HCN	hcnh+
279	N₂H₂	(E)-diazene	n2h2
280	N₂H₂	(Z)-Diazene	n2h2z
281	CH₂PH	Phosphaethene	ch3p
282	N₂H₄⁺	hydrazine cation	n2h4+
283	P₂H₄	Diphosphine	p2h4
284	CH₃NH₂⁺	methyl amine cation	ch3nh2+
285	CH₃PH₂	Methyl phosphine	ch3ph2
286	CH₃NH₃⁺	protonated methylamine	ch3nh3+
287	NH₃NH₃	Ammonia Dimer	nh3nh3
288	LiO	lithium oxide	lio
289	LiO^-	lithium oxide anion	lio-
290	LiO⁺	lithium oxide cation	lio+
291	LiS	Lithium monosulfide	lis
292	LiS⁺	Lithium sulfide cation	lis+
293	NaO	sodium monoxide	nao
294	NaO^-	sodium oxide anion	nao-
295	NaO⁺	sodium oxide cation	nao+
296	KO	Potassium monoxide	ko
297	KO⁺	Potassium monoxide cation	ko+
298	NaS	Sodium sulfide	nas
299	CuO	Copper Monoxide	cuo
300	BeO	beryllium oxide	beo
301	BeO^-	Beryllium monoxide anion	beo-
302	BeO⁺	Beryllium monoxide cation	beo+
303	BeS	beryllium sulfide	bes
304	MgO	magnesium oxide	mgo
305	MgO^-	magnesium oxide anion	mgo-
306	MgO⁺	magnesium oxide cation	mgo+
307	MgS	magnesium sulfide	mgs
308	MgS^-	magnesium sulfide anion	mgs-
309	MgS⁺	magnesium sulfide cation	mgs+
310	CaS	Calcium sulfide	cas
311	ZnO	zinc monoxide	zno
312	ZnS	Zinc sulfide	zns
313	BeS^-	Beryllium monosulfide anion	bes-
314	BeS⁺	Beryllium monosulfide cation	bes+
315	BO^-	boron monoxide anion	bo-
316	AlO	Aluminum monoxide	alo
317	AlO^-	Aluminum monoxide anion	alo-
318	AlO⁺	aluminum monoxide cation	alo+
319	BS	boron sulfide	bs
320	BS^-	boron monosulfide anion	bs-
321	BS⁺	boron monosulfide cation	bs+
322	AlS	Aluminum sulfide	als
323	AlS^-	aluminum monosulfide anion	als-
324	AlS⁺	aluminum monosulfide cation	als+
325	ScO	Scandium monoxide	sco
326	BO⁺	boron monoxide cation	bo+
327	CS	carbon monosulfide	cs
328	CS^-	carbon monosulfide anion	cs-
329	CS⁺	carbon monosulfide cation	cs+
330	SiO^-	silicon monoxide anion	sio-
331	SiO⁺	silicon monoxide cation	sio+
332	SiS^-	silicon monosulfide anion	sis-
333	SiS⁺	silicon monosulfide cation	sis+
334	TiO	Titanium monoxide	tio
335	CSe^-	Carbon monoselenide anion	cse-
336	CSe⁺	Carbon monoselenide cation	cse+
337	NS^-	nitrogen sulfide anion	ns-
338	NS⁺	nitrogen sulfide cation	ns+
339	PO^-	phosphorus monoxide anion	po-
340	PO⁺	phosphorus monoxide cation	po+
341	PS^-	phosphorus monosulfide anion	ps-
342	PS⁺	phosphorus monosulfide cation	ps+
343	VO	Vanadium monoxide	vo
344	AsO	Arsenic monoxide	aso
345	O₂⁺	diatomic oxygen cation	o2+
346	SO^-	sulfur monoxide anion	so-
347	S₂^-	sulfur diatomic anion	s2-
348	S₂⁺	sulfur diatomic cation	s2+
349	SeO^-	selenium monoxide anion	seo-
350	SeO⁺	selenium monoxide cation	seo+
351	SeS	Selenium monosulfide	ses
352	SeS^-	selenium monosulfide anion	ses-
353	SeS⁺	selenium monosulfide cation	ses+
354	TeO	Tellurium monoxide	teo
355	Se₂^-	selenium diatomic anion	se2-
356	Se₂⁺	selenium diatomic cation	se2+
357	Te₂	Tellurium diatomic	te2
358	NaOH	sodium hydroxide	naoh
359	KOH	Potassium hydroxide	koh
360	MgOH	magnesium hydroxide	mgoh
361	CaOH	Calcium monohydroxide	caoh
362	HCS	Thioformyl radical	hcs
363	HCS^-	Thioformyl anion	hcs-
364	HCS⁺	Thioformyl cation	hcs+
365	HNO^-	Nitrosyl hydride anion	hno-
366	HNS	Sulfur imide	hns
367	HNS^-	Sulfur imide anion	hns-
368	HO₂	Hydroperoxy radical	ho2
369	HO₂^-	Hydroperoxy anion	ho2-
370	HS₂	Thiosulfeno radical	hs2
371	HOCH	hydroxycarbene	hoch
372	H₂NO	nitroxide	h2no
373	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
374	CH₂OH	Hydroxymethyl radical	ch2oh
375	CH₃O	Methoxy radical	ch3o
376	CH₃S	thiomethoxy	ch3s
377	NH₃O	Ammonia Oxide	nh3o
378	H₂POH	Phosphinous acid	h2poh
379	H₃PO	Phosphine oxide	h3po
380	NH₃S	sulfidoazane	nh3s
381	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
382	CH₃OH^-	Methyl alcohol anion	ch3oh-
383	CH₃SeH	Methane selenol	ch3seh
384	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
385	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
386	H₂ONH₃	Water Ammonia Dimer	h2onh3
387	LiCl^-	lithium chloride anion	licl-
388	LiCl⁺	lithium chloride cation	licl+
389	NaF	sodium fluoride	naf
390	NaF^-	sodium fluoride anion	naf-
391	KF	Potassium Fluoride	kf
392	NaCl	Sodium Chloride	nacl
393	NaCl^-	sodium chloride anion	nacl-
394	NaCl⁺	sodium chloride cation	nacl+
395	KCl	Potassium Chloride	kcl
396	CuF	Copper monofluoride	cuf
397	LiBr^-	lithium bromide anion	libr-
398	LiBr⁺	lithium bromide cation	libr+
399	CuCl	Copper monochloride	cucl
400	NaBr	Sodium Bromide	nabr
401	NaBr^-	sodium bromide anion	nabr-
402	NaBr⁺	sodium bromide cation	nabr+
403	KBr	Potassium Bromide	kbr
404	LiI	Lithium Iodide	lii
405	NaI	Sodium Iodide	nai
406	KI	Potassium Iodide	ki
407	LiF^-	lithium fluoride anion	lif-
408	BeF	Beryllium monofluoride	bef
409	BeF^-	Beryllium monofluoride anion	bef-
410	BeF⁺	Beryllium monofluoride cation	bef+
411	BeCl	beryllium monochloride	becl
412	MgF	Magnesium monofluoride	mgf
413	MgF^-	magnesium fluoride anion	mgf-
414	MgF⁺	magnesium fluoride cation	mgf+
415	CaF	Calcium monofluoride	caf
416	MgCl	magnesium monochloride	mgcl
417	MgCl^-	magnesium monochloride anion	mgcl-
418	MgCl⁺	magnesium monochloride cation	mgcl+
419	CaCl	calcium monochloride	cacl
420	TiCl	Titanium Monochloride	ticl
421	ZnF^-	Zinc monofluoride anion	znf-
422	ZnF⁺	Zinc monofluoride cation	znf+
423	ZnCl	Zinc monochloride	zncl
424	BeCl^-	beryllium monochloride anion	becl-
425	BeCl⁺	beryllium monochloride cation	becl+
426	BF^-	Boron monofluoride anion	bf-
427	BF⁺	Boron monofluoride cation	bf+
428	AlF^-	Aluminum monofluoride anion	alf-
429	AlF⁺	Aluminum monofluoride cation	alf+
430	BCl	boron monochloride	bcl
431	BCl^-	boron monochloride anion	bcl-
432	BCl⁺	boron monochloride cation	bcl+
433	AlCl	Aluminum monochloride	alcl
434	AlCl^-	aluminum monochloride anion	alcl-
435	AlCl⁺	aluminum monochloride cation	alcl+
436	ScF	Scandium monofluoride	scf
437	BBr	Boron monobromide	bbr
438	AlI	Aluminum monoiodide	ali
439	CF^-	carbon monofluoride anion	cf-
440	CF⁺	carbon monofluoride cation	cf+
441	CCl	carbon monochloride	ccl
442	CCl^-	carbon monochloride anion	ccl-
443	CCl⁺	carbon monochloride cation	ccl+
444	SiF^-	silicon monofluoride anion	sif-
445	SiCl^-	silicon monochloride anion	sicl-
446	SiCl⁺	silicon monochloride cation	sicl+
447	NF	nitrogen fluoride	nf
448	NF^-	nitrogen monofluorine anion	nf-
449	NF⁺	nitrogen monofluoirde cation	nf+
450	NCl^-	nitrogen monochloride anion	ncl-
451	NCl⁺	nitrogen monochloride cation	ncl+
452	PF	phosphorus monofluoride	pf
453	PF^-	phosphorus monofluoride anion	pf-
454	PF⁺	phosphorus monofluoride cation	pf+
455	PCl	phosphorus chloride	pcl
456	PCl^-	phosphorus monochloride anion	pcl-
457	PCl⁺	phosphorus monochloride cation	pcl+
458	AsF	Arsenic monofluoride	asf
459	NBr	nitrogen monobromide	nbr
460	SbF	Antimony monofluoride	sbf
461	SbCl	Antimony monochloride	sbcl
462	FO	Oxygen monofluoride	fo
463	FO^-	flourine oxide anion	fo-
464	FO⁺	fluorine monoxide cation	fo+
465	ClO^-	chlorine monoxide anion	clo-
466	SF^-	sulfur monofluoride anion	sf-
467	SCl	sulfur monochloride	scl
468	SCl^-	sulfur monochloride anion	scl-
469	BrO^-	Bromine monoxide anion	bro-
470	SeF	Selenium monofluoride	sef
471	IO	Iodine monoxide	io
472	ClF^-	clorine monofluoride anion	clf-
473	Cl₂	Chlorine diatomic	cl2
474	Cl₂^-	chlorine diatomic anion	cl2-
475	BrF^-	bromine fluoride anion	brf-
476	BrF⁺	bromine fluoride cation	brf+
477	BrCl^-	bromine chloride anion	brcl-
478	BrCl⁺	bromine chloride cation	brcl+
479	IF	Iodine monofluoride	if
480	ICl	Iodine monochloride	icl
481	IBr	Iodine monobromide	ibr
482	I₂	Iodine diatomic	i2
483	I₂⁺	Iodine diatomic cation	i2+
484	HCCl	Chloromethylene	hccl
485	CHBr	bromomethylene	chbr
486	DOCl	Hypochlorous acid-d	docl
487	HOBr	Hypobromous acid	hobr
488	HOBr⁺	Hypobromous acid cation	hobr+
489	HOI	Hypoiodous acid	hoi
490	FHF	Hydrogen difluoride	fhf
491	FHF^-	Hydrogen difluoride anion	fhf-
492	NH₂F	monofluoroamine	nh2f
493	H₂F₂	Hydrogen fluoride dimer	h2f2
494	CD₃F	methylfluoride-d3	cd3f
495	CD₃Cl	methyl chloride d3	cd3cl
496	SiH₃Br	bromosilane	sih3br
497	CH₃I	methyl iodide	ch3i
498	SiH₃I	Silyl Iodide	sih3i
499	Ne₂	Neon diatomic	ne2
500	Ne₂⁺	Neon diatomic cation	ne2+
501	Li₃	Lithium trimer	li3
502	Li₃⁺	Lithium trimer cation	li3+
503	C₃⁺	carbon trimer cation	c3+
504	C₃H₃	cyclopropenyl radical	cpr
505	C₃H₃	Propargyl radical	propargyl
506	C₃H₃^-	Propargyl anion	c3h3-
507	C₃H₃⁺	cyclopropenyl cation	cpr+
508	C₃H₃⁺	Propargyl cation	c3h3+
509	C₃H₅	Allyl radical	allyl
510	C₃H₅⁺	Allyl cation	allyl+
511	CH₃CHCH	1-propenyl radical	ch3chch
512	Zn(CH₃)₂	dimethyl zinc	dmz
513	SiH₂(CH₃)₂	dimethylsilane	dms
514	NaCN	Sodium Cyanide	nacn
515	KCN	Potassium cyanide	kcn
516	CuCN	Copper cyanide	cucn
517	CN₂	3H-Diazirin-3-ylidene	cn2
518	NCN	Cyanoimidogen	ncn
519	N₃^-	azide anion	n3-
520	HCCN	cyanomethylene	hccn
521	HCNN	diazomethyl radical	hcnn
522	CH₂N₂	diazirine	ch2n2
523	CH₂NN	diazomethane	ch2nn
524	NH₂CN	cyanamide	cyanamide
525	CH₃CN^-	acetonitrile anion	ch3cn-
526	CH₃CN⁺	Acetonitrile cation	ch3cn+
527	CH₃NC	methyl isocyanide	ch3nc
528	CHNCH₂	2H-Azirine	c157164
529	CHNHCH	1H-Azirine	chnhch
530	H₂CCNH	Ethenimine	ch2cnh
531	H₂CNCH	methyleneaminomethylene	ch2nch
532	HCCNH₂	Ethynamine	hccnh2
533	NCNH₃⁺	Cyanamide, protonated	ncnh3+
534	CH₂CHNH	vinylazine	ch2chnh
535	CH₃CHN	methylmethaniminyl radical	ch3chn
536	NHCHNH₂	aminomethanimine	cn2h4
537	C₂H₅N	Aziridine	c2h5n
538	CH₂CHNH₂	aminoethene	aminoethene
539	CH₂NCH₃	N-methylmethanimine	nmm
540	CH₃CHNH	ethanimine	ethanimine
541	NH₂BHNH₂	diaminoborane	nh2bhnh2
542	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
543	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
544	CH₃NHCH₃	Dimethylamine	ch3nhch3
545	CH₃PHCH₃	dimethylphosphine	ch3phch3
546	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
547	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
548	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
549	Li₂O⁺	dilithium oxide cation	li2o+
550	Li₂S	dilithium sulfide	li2s
551	CCO	Dicarbon monoxide	cco
552	CNO^-	fulminate	cno-
553	NCO^-	cyanate	nco-
554	SCN	thiocyanato radical	scn
555	SCN^-	thiocyanide anion	scn-
556	BO₂	Boron dioxide	bo2
557	BO₂^-	Boron dioxide anion	bo2-
558	BO₂⁺	Boron dioxide cation	bo2+
559	N₂O^-	Nitrous oxide anion	n2o-
560	N₂O⁺	Nitrous oxide cation	n2o+
561	NNS	Nitrogen sulfide	nns
562	PPO	Phosphorus oxide phosphide	ppo
563	CO₂^-	Carbon dioxide anion	co2-
564	CO₂⁺	Carbon dioxide cation	co2+
565	OCS⁺	Carbonyl sulfide cation	cos+
566	SiO₂	silicon dioxide	sio2
567	CS₂^-	Carbon disulfide anion	cs2-
568	CS₂⁺	Carbon disulfide cation	cs2+
569	TiO₂	Titanium dioxide	tio2
570	SiS₂	Silicon disulfide	sis2
571	GeS₂	Germanium disulfide	ges2
572	CSe₂	Carbon diselenide	cse2
573	SCTe	Carbon sulfide Telluride	scte
574	NO₂^-	Nitrogen dioxide anion	no2-
575	PO₂	Phosphorus dioxide	po2
576	PO₂^-	Phosphorus dioxide anion	po2-
577	PO₂⁺	Phosphorus dioxide cation	po2+
578	AsO₂	Aresenic dioxide	aso2
579	O₃^-	Ozone anion	o3-
580	O₃⁺	Ozone cation	o3+
581	SO₂^-	Sulfur dioxide anion	so2-
582	SO₂⁺	Sulfur dioxide cation	so2+
583	S₃^-	Sulfur trimer anion	s3-
584	S₃⁺	Sulfur trimer cation	s3+
585	TeO₂	Tellurium Dioxide	teo2
586	CS₂H⁺	Carbon disulfide, protonated	cs2h+
587	HNCO	Isocyanic acid	hnco
588	HOCN	cyanic acid	hocn
589	HNCS	Isothiocyanic acid	hncs
590	HSCN	thiocyanic acid	hscn
591	HCO₂^-	formate anion	hco2-
592	HNNO	nitrosoazane	hnno
593	HNNO⁺	Nitrous oxide, N-protonated	hnno+
594	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
595	HCOO	formate neutral radical	hcoo
596	HOCO⁺	Hydrocarboxyl cation	hoco+
597	HNO₂	Nitrous acid	hno2
598	HNO₂⁺	nitrous acid cation	hno2+
599	SO₂H⁺	protonated sulfur dioxide	so2h+
600	CH₂CO⁺	Ketene cation	ch2co+
601	HCCOH	ethynol	hccoh
602	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
603	NH₂NO	Nitrosamide	nh2no
604	CH₂O₂	Dioxirane	diox
605	H₂O₃	Hydrogen trioxide	h2o3
606	HSSSH	trisulfane	hsssh
607	NaOCH₃	Sodium methoxide	naoch3
608	CH₂BOH	hydroxy(methylene)borane	ch2boh
609	CH₃BO	Borane, methyloxo-	ch3bo
610	CH₂CHO	Vinyloxy radical	ch2cho
611	CH₃CO	Acetyl radical	ch3co
612	CH₃CO^-	Acetyl anion	ch3co-
613	CH₃CO⁺	acetyl cation	ch3co+
614	CH₂NOH	formaldoxime	ch2noh
615	CH₃NO	nitrosomethane	ch3no
616	CHONH₂	formamide	formamide
617	CNOH₃	1,2-oxaziridine	cnoh3
618	CHSNH₂	thioformamide	chsnh2
619	CH₂OOH	CH2OOH radical	ch2ooh
620	CH₃OO	methylperoxy radical	ch3oo
621	CH₃OO^-	methylperoxy anion	ch3oo-
622	CH₃OO⁺	methylperoxy cation	ch3oo+
623	CH₂CHOH	ethenol	ch2choh
624	CH₃CHS	Thioacetaldehyde	ch3chs
625	H₂CONH₂⁺	protonated formamide	h2conh2+
626	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
627	CH₂(OH)₂	methanediol	ch2o2h2
628	CH₃OOH	Methyl peroxide	ch3ooh
629	H₂OH₂CO	water formaldehyde dimer	h2oh2co
630	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
631	CH₃CH₂O	Ethoxy radical	ethoxy
632	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
633	CH₃OCH₂	methoxymethyl radical	ch3och2
634	NH₂CH₂OH	aminomethanol	nh2ch2oh
635	CH₃SeCH₃	dimethylselenide	dmse
636	CH₃OHH₂O	methanol water dimer	ch3ohh2o
637	H₂OCH₃OH	water methanol dimer	h2och3oh
638	CuF₂	Copper difluoride	cuf2
639	ZnF₂	Zinc difluoride	znf2
640	FCN	Cyanogen fluoride	fcn
641	ClCN	chlorocyanogen	clcn
642	ICN	Cyanogen iodide	icn
643	BeF₂	Beryllium fluoride	bef2
644	MgF₂	Magnesium fluoride	mgf2
645	BeCl₂	Beryllium chloride	becl2
646	MgCl₂	Magnesium dichloride	mgcl2
647	CaCl₂	Calcium Chloride	cacl2
648	ZnCl₂	Zinc dichloride	zncl2
649	CaBr₂	Calcium dibromide	cabr2
650	CaF₂	Calcium difluoride	caf2
651	FCO	Carbonyl fluoride	fco
652	FCO⁺	Carbonyl fluoride cation	fco+
653	ClCO	carbonyl monochloride	clco
654	BrNO	Nitrosyl bromide	brno
655	INO	Nitrosyl iodide	ino
656	CF₂^-	Difluoromethylene anion	cf2-
657	CF₂⁺	Difluoromethylene cation	cf2+
658	SiF₂⁺	Silicon difluoride cation	sif2+
659	CCl₂	dichloromethylene	ccl2
660	CCl₂^-	dichloromethylene anion	ccl2-
661	CCl₂⁺	dichloromethylene cation	ccl2+
662	SiCl₂	Dichlorosilylene	sicl2
663	GeF₂	Germanium difluoride	gef2
664	CBr₂	dibromomethylene	cbr2
665	FOO	Dioxygen monofluoride radical	foo
666	ClOO	chloroperoxy radical	cloo
667	ClOO⁺	chloroperoxy cation	cloo+
668	OClO⁺	Chlorine dioxide cation	oclo+
669	ClS₂	Sulfur chloride	cls2
670	NF₂	Difluoroamino radical	nf2
671	NF₂⁺	Difluoroamino cation	nf2+
672	F₂O	Difluorine monoxide	f2o
673	SF₂^-	sulfur difluoride anion	sf2-
674	SF₂⁺	sulfur difluoride cation	sf2+
675	Cl₂O	Dichlorine monoxide	cl2o
676	SCl₂	Sulfur dichloride	scl2
677	BrOCl	Bromine hypochlorite	brocl
678	BrOBr	Bromine oxide	brobr
679	F₃^-	trifluoride anion	f3-
680	Cl₃^-	trichloride anion	cl3-
681	I₃^-	triiodide	i3-
682	HCCF⁺	fluoroacetylene cation	hccf+
683	HCCCl	Chloroacetylene	hcccl
684	HCCBr	bromoacetylene	hccbr
685	HFCO	formyl fluoride	hfco
686	HFCO⁺	formyl fluoride cation	hfco+
687	COHCl	Formyl chloride	cohcl
688	COHBr	Formyl bromide	cohbr
689	BHF₂	Difluoroborane	bhf2
690	BHCl₂	Borane, dichloro-	bhcl2
691	CHCl₂	dichloromethyl radical	chcl2
692	CHBr₂	dibromomethyl radical	chbr2
693	HOClO	Chlorous acid	hoclo
694	CH₂FCl	fluorochloromethane	ch2fcl
695	CH₂BrF	Methane, bromofluoro-	ch2fbr
696	CH₂FI	fluoroiodomethane	ch2fi
697	CH₂ClI	chloroiodomethane	ch2cli
698	CH₂BrI	bromoiodomethane	ch2bri
699	CH₂I₂	Diiodomethane	ch2i2
700	CH₂CHF⁺	fluoroethene cation	ch2chf+
701	C₂H₃Cl	Ethene, chloro-	ch2chcl
702	C₂H₃Br	vinyl bromide	c2h3br
703	C₂H₃I	Vinyl iodide	c2h3i
704	CH₃OCl	methyl hypochlorite	ch3ocl
705	CH₂CH₂Cl	2-chloroethyl radical	ch2ch2cl
706	CHClCH₃	1-chloroethyl radical	chclch3
707	C₂H₅F	fluoroethane	c2h5f
708	CH₃CH₂Cl	Ethyl chloride	c2h5cl
709	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
710	C₂H₅I	Ethyl iodide	c2h5i
711	KrF₂	Krypton difluoride	krf2
712	XeF₂	Xenon difluoride	xef2
713	B₄H₁₀	Tetraborane(10)	b4h10
714	C₄⁺	Carbon tetramer cation	c4+
715	C₄H₂	Diacetylene	c4h2
716	C₄H₂⁺	diacetlyene cation	c4h2+
717	C₂H₃CCH	1-Buten-3-yne	c2h3cch
718	C₄H₄	cyclobutadiene	cbd
719	H₂CCCCH₂	Butatriene	h2cccch2
720	C₄H₆	Cyclobutene	c822355
721	C₄H₆	Methylenecyclopropane	c6142730
722	CH₂CCHCH₃	1,2-Butadiene	butad12
723	CH₂CHCHCH₂	1,3-Butadiene	c106990
724	CH₃CCCH₃	2-Butyne	c503173
725	CHCCH₂CH₃	1-Butyne	c107006
726	CH₃CHCHCH₂	methylallyl radical	c4h7
727	C₄H₈	methylcyclopropane	mcp
728	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
729	CH₂CHCH₂CH₃	1-Butene	bute1
730	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
731	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
732	B(CH₃)₃	trimethylborane	bme3
733	Al(CH₃)₃	trimethyl aluminum	tma
734	C(CH₃)₃	Tert-butyl radical	tbutyl
735	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
736	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
737	CH₃CH(CH₃)CH₃	Isobutane	isobutane
738	SiH(CH₃)₃	trimethylsilane	trimsi
739	Li₃N	trilithium nitride	li3n
740	C₂N₂⁺	Cyanogen cation	c2n2+
741	P₄	Phosphorus tetramer	p4
742	HCCCN	Cyanoacetylene	hcccn
743	C₃H₃N	acrylonitrile	ch2chcn
744	C₃H₃N⁺	acrylonitrile cation	ch2chcn+
745	CH₃N₃	methyl azide	ch3n3
746	NH₂CCNH₂	Diaminoacetylene	daa
747	NH₂CH₂CN	Aminoacetonitrile	aan
748	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
749	CH₅N₃	Guanidine	guanidine
750	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
751	H₂NCHCHNH₂	diaminoethylene	dae
752	CH₆N₃⁺	guanidinium	ch6n3+
753	C₃H₇N	Cyclopropylamine	cpram
754	C₃H₇N	Azetidine	azet
755	C₄H₈	cyclobutane	cbutane
756	C₂H₈N₂	Ethylenediamine	ethdiam
757	CH₃NHNHCH₃	dimethyl hydrazine	dmh
758	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
759	N(CH₃)₃	Trimethylamine	trimeam
760	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
761	P(CH₃)₃	trimethylphosphine	tmp
762	As(CH₃)₃	trimethyl arsine	tmas
763	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
764	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
765	Li₂O₂	dilithium dioxide	li2o2
766	Na₂O₂	disodium dioxide	na2o2
767	K₂O₂	dipotassium dioxide	k2o2
768	B₂O₂	Diboron dioxide	b2o2
769	CO₃	Carbon trioxide	co3
770	CO₃^--	carbonate	co3--
771	CS₃^--	Carbonotrithioate	cs3--
772	NO₃	Nitrogen trioxide	no3
773	NO₃^-	nitrate anion	no3-
774	NO₃⁺	nitrogen trioxide cation	no3+
775	SO₃^-	Sulfur trioxide anion	so3-
776	SO₃⁺	Sulfur trioxide cation	so3+
777	SeO₃	selenium trioxide	seo3
778	TeO₃	Tellurium trioxide	teo3
779	HCO₃^-	bicarbonate anion	hco3-
780	HSO₃	Hydroxysulfonyl radical	hso3
781	NH₂NO₂	nitramide	nh2no2
782	C₂H₂CO	cyclopropenone	c2h2co
783	HCCCHO	2-propynal	hcccho
784	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
785	H₂CO₃	Carbonic acid	h2co3
786	H₂CS₃	thiocarbonic acid	h2cs3
787	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
788	H₂SO₃	Sulfurous acid	h2so3
789	HOCH₂CN	cyanomethanol	hoch2cn
790	CH₃COO^-	acetate anion	ch3coo-
791	CH₃ONO	Methyl nitrite	ch3ono
792	NH₂COOH	Carbamic acid	nh2cooh
793	H₃BO₃	Boric acid	h3bo3
794	H₃CO₃⁺	carbonic acid, protonated	h3co3+
795	C₃H₄O	2-Propyn-1-ol	c107197
796	C₃H₄O	allenol	c9000071
797	C₃H₄O	Cyclopropanone	cpone
798	C₃H₄O	Methylketene	c6004440
799	NH₂CONH₂	Urea	urea
800	NH₂CONH₂⁺	Urea cation	urea+
801	NH₂CSNH₂	Thiourea	thiourea
802	C₂H₄O₂	1,3-dioxetane	c2h4o2
803	CH₃COOH	Acetic acid	ch3cooh
804	CH₃OCHO	methyl formate	ch3ocho
805	CHOCH₂OH	hydroxy acetaldehyde	haa
806	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
807	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
808	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
809	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
810	HCOOHH₂O	Formic acid water dimer	hcoohh2o
811	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
812	CH₃COCH₂	Acetonyl radical	ch3coch2
813	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
814	CH₃C(OH)=NH	Ethaninidic acid	eia
815	CH₃CHNOH	Acetaldoxime	acetaldoxime
816	CH₃CONH₂	Acetamide	acetamide
817	HCONHCH₃	N-methylformamide	nmfa
818	CH₃CSNH₂	Ethanethioamide	ch3csnh2
819	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
820	H₂NCOHNH₂⁺	urea, protonated	ureah+
821	C₂H₅OO	ethylperoxy radical	c2h5oo
822	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
823	C₃H₅OH	Cyclopropanol	cproh
824	C₃H₆O	2-Propen-1-ol	c107186
825	C₃H₆O	Acetone enol	enol
826	C₃H₆O	Oxetane	oxetane
827	C₃H₆O	Propylene oxide	prox
828	CH₃COCH₃^-	acetone anion	ch3coch3-
829	C₃H₆S	Thietane	thietane
830	C₃H₆S	Thiirane, methyl-	methiirane
831	CH₃CSCH₃	Thioacetone	ch3csch3
832	C₂H₆O₂	1,2-Ethanediol	ethdiol
833	CH₃OOCH₃	dimethylperoxide	dmp
834	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
835	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
836	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
837	HOCH₂CH₂NH₂	monoethanolamine	mea
838	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
839	CH₃OC₂H₅	Ethane, methoxy-	etome
840	C₃H₇SH	1-Propanethiol	prsh
841	CH₃CHSHCH₃	2-Propanethiol	isoprsh
842	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
843	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
844	Na₂F₂	Sodium Fluoride Dimer	na2f2
845	Na₂Cl₂	Disodium dichloride	na2cl2
846	C₂F₂	difluoroacetylene	c2f2
847	C₂Cl₂	dichloroacetylene	c2cl2
848	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
849	FNO₂	Nitryl fluoride	fno2
850	FONO	Nitrosyl hypofluorite	fono
851	ClNO₂	Nitryl chloride	clno2
852	ClONO	chlorine nitrite	clono
853	BrONO	Bromine nitrite	brono
854	N₂F₂	(Z)-Difluorodiazene	n2f2_z
855	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
856	COFCl	Carbonic chloride fluoride	cofcl
857	CCl₂O	Phosgene	cl2co
858	Cl₂CS	Thiophosgene	cl2cs
859	COBr₂	Carbonic dibromide	cobr2
860	BF₃	Borane, trifluoro-	bf3
861	BF₃^-	Borane, trifluoro- anion	bf3-
862	AlF₃	Aluminum trifluoride	alf3
863	BClF₂	Chlorodifluoroborane	bclf2
864	AlF₂Cl	Aluminum chloride difluoride	alclf2
865	ScF₃	Scandium trifluoride	ScF3
866	AlFCl₂	Aluminum dichloride fluoride	alcl2f
867	AlCl₃	Aluminum trichloride	alcl3
868	GaCl₃	Gallium trichloride	gacl3
869	BBr₃	Boron tribromide	bbr3
870	AlBr₃	Aluminum Bromide	albr3
871	ClO₃	Chlorine trioxide	clo3
872	ClO₃^-	chlorate anion	clo3-
873	BrO₃^-	Bromate anion	bro3-
874	CF₃	Trifluoromethyl radical	cf3
875	CF₃^-	Trifluoromethyl anion	cf3-
876	CF₃⁺	Trifluoromethyl cation	cf3+
877	SiF₃	Silicon trifluoride radical	sif3
878	SiF₃⁺	Silicon trifluoride cation	sif3+
879	CCl₃	Trichloromethyl radical	ccl3
880	CCl₃^-	Trichloromethyl anion	ccl3-
881	CCl₃⁺	Trichloromethyl cation	ccl3+
882	SiCl₃	trichlorosilyl radical	sicl3
883	SiCl₃⁺	trichlorosilyl cation	sicl3+
884	CBr₃	tribromomethyl radical	cbr3
885	FOOF	Perfluoroperoxide	foof
886	F₂SO	Thionyl Fluoride	f2so
887	ClOOCl	Dichlorine dioxide	cloocl
888	FSSF	Difluorodisulfane	fssf
889	S₂F₂	Thio-thionyl fluoride	s2f2
890	SOCl₂	thionyl chloride	socl2
891	SeOCl₂	selenium oxychloride	seocl2
892	NF₃^-	Nitrogen trifluoride anion	nf3-
893	NF₃⁺	Nitrogen trifluoride cation	nf3+
894	PF₃	Phosphorus trifluoride	pf3
895	AsF₃	Arsenic trifluoride	asf3
896	PCl₃	Phosphorus trichloride	pcl3
897	SbF₃	Antimony Trifluoride	sbf3
898	AsCl₃	Arsenous trichloride	ascl3
899	SbCl₃	Antimony Trichloride	sbcl3
900	PBr₃	Phosphorus tribromide	pbr3
901	AsBr₃	Arsenic tribromide	asbr3
902	NI₃	Nitrogen triiodide	ni3
903	PI₃	Phosphorus triiodide	pi3
904	ClSSCl	Disulfur dichloride	s2cl2
905	SF₃	Sulfur trifluoride	sf3
906	ClF₃	Chlorine trifluoride	clf3
907	BrF₃	Bromine trifluoride	brf3
908	IF₃	iodone trifluoride	if3
909	CHF₂Cl	difluorochloromethane	chf2cl
910	CHFCl₂	fluorodichloromethane	chfcl2
911	CDCl₃	trichloromethane-d	cdcl3
912	SiHCl₃	Trichlorosilane	sihcl3
913	CHF₂I	difluoroiodomethane	chf2i
914	CHBr₂F	dibromofluoromethane	chbr2f
915	CHFClI	fluorochloroiodomethane	chfcli
916	CHCl₂I	dichloroiodomethane	chcl2i
917	CHClBr₂	Methane, dibromochloro-	chclbr2
918	CHBr₃	bromoform	chbr3
919	CHI₃	Iodoform	chi3
920	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
921	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
922	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
923	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
924	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
925	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
926	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
927	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
928	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
929	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
930	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
931	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
932	CH₃COF	Acetyl fluoride	ch3cof
933	CH₂ClCHO	chloroacetaldehyde	ch2clcho
934	CH₃COCl	Acetyl Chloride	ch3cocl
935	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
936	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
937	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
938	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
939	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
940	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
941	CH₂CFCH₃	2-fluoropropene	2fpro
942	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
943	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
944	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
945	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
946	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
947	CH₂FCH₂CH₃	1-Fluoropropane	prf1
948	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
949	CH₃CH₂CH₂Br	n-propyl bromide	prbr
950	CH₃CHBrCH₃	i-propyl bromide	iprbr
951	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
952	C₅H₅	cyclopentadienyl radical	c5h5
953	C₅H₅^-	cylopentadienyl anion	c5h5-
954	C₅H₆	1,3-Cyclopentadiene	c542927
955	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
956	C₅H₆	3-Penten-1-yne, (E)-	c2004695
957	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
958	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
959	C₅H₆	Cyclopropylacetylene	c6746947
960	C₅H₆	Propellane	propellane
961	C₅H₇	1,3-pentadienyl radical	pdyl
962	C₅H₇	cyclopentenyl radical	cpyl
963	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
964	C₅H₈	1,2-Pentadiene	c591957
965	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
966	C₅H₈	1,3-Pentadiene, (E)-	c2004708
967	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
968	C₅H₈	1,4-Pentadiene	c591935
969	C₅H₈	1-pentyne	a1pentyne
970	C₅H₈	2,3-Pentadiene	c591968
971	C₅H₈	Cyclobutane, methylene-	c1120565
972	C₅H₈	Cyclopentene	c142290
973	C₅H₈	Ethenylcyclopropane	c693867
974	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
975	C₅H₁₀	1-Butene, 2-methyl-	c563462
976	C₅H₁₀	2-Butene, 2-methyl-	c513359
977	C₅H₁₀	2-Pentene, (E)-	c646048
978	C₅H₁₀	2-Pentene, (Z)-	c627203
979	C₅H₁₀	Cyclopentane	c287923
980	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
981	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
982	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
983	C₅H₁₂	Butane, 2-methyl-	buta2
984	C₅H₁₂	Pentane	pentane
985	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
986	Si(CH₃)₄	tetramethylsilane	tms
987	N₂O₃	Dinitrogen trioxide	n2o3
988	C₃H₂N₂	Malononitrile	c3h2n2
989	CH₂N₄	1H-Tetrazole	1htz
990	C₃H₃N₂	imidazolyl radical	im
991	C₃H₃N₂^-	imidizolyl anion	im-
992	C₂H₃N₃	1H-1,2,4-Triazole	c288880
993	C₄H₄N	pyrrolide radical	c4h4n
994	C₄H₄N^-	pyrrolide anion	c4h4n-
995	C₃H₄N₂	1H-Imidazole	1himidaz
996	C₃H₄N₂	1H-Pyrazole	1hpyraz
997	C₃H₄N₂	2H-Imidazole	imid2h
998	C₃H₄N₂	4H-Imidazole	imid4h
999	C₄H₅N	(E)-2-Butenenitrile	c627269
1000	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1001	C₄H₅N	2H-pyrrole	pyrrole2
1002	C₄H₅N	3H-pyrrole	pyrrole3
1003	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1004	C₄H₅N	Pyrrole	pyrrole
1005	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1006	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1007	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1008	C₄H₆N⁺	pyrrole, protonated	ppyr
1009	C₃H₆N₂	3-Aminopropionitrile	c151188
1010	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1011	CH₃CH₂CH₂CN	Butanenitrile	c109740
1012	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1013	C₅H₈	Spiropentane	c157404
1014	C₄H₉N	Cyclobutylamine	cbam
1015	C₄H₉N	Pyrrolidine	pyrrolidine
1016	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1017	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1018	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1019	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1020	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1021	NH(C₂H₅)₂	diethylamine	dea
1022	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1023	C₃O₂⁺	Carbon suboxide cation	c3o2+
1024	MgCO₃	Magnesium Carbonate	mgco3
1025	BeCO₃	Beryllium Carbonate	beco3
1026	CaCO₃	Calcium Carbonate	caco3
1027	ONONO	Nitrosyl nitrite	onono
1028	PO₄^---	phosphate	po4---
1029	SO₄^--	sulfate	so4--
1030	HOONO₂	peroxy nitric acid	hoono2
1031	HSO₄^-	bisulfate anion	hso4-
1032	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1033	C₃H₂O₂	Propiolic acid	c3h2o2
1034	CHOCOOH	oxo acetic acid	oaa
1035	CHOOCHO	diformyl ether	choocho
1036	H₂SO₄	Sulfuric acid	h2so4
1037	H₂SeO₄	Selenic acid	h2seo4
1038	C₃H₃NO	Oxazole	oxazole
1039	C₃H₃NS	Thiazole	thiazole
1040	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1041	CH₃NO₃	Methyl nitrate	ch3no3
1042	H₃PO₄	Phosphoric Acid	h3po4
1043	C₄H₄O⁺	Furan cation	furan+
1044	CH₃COCCH	3-butyn-2-one	c1423605
1045	C₄H₄S	Thiophene	furans
1046	C₄H₄Se	selenophene	c4h4se
1047	C₃H₄O₂	β–Propiolactone	beta
1048	C₃H₄O₂	2-Propenoic acid	propenoic2
1049	C₃H₄O₂	Methyl glyoxal	megly
1050	C₃H₄O₂	propanedial	propanedial
1051	C₃H₄O₂	propenalol	propenalol
1052	HOCHCCHOH	allenediol	aldiol
1053	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1054	C₂H₄O₃	trioxolane124	triox
1055	HOCH₂COOH	Hydroxyacetic acid	hac
1056	CH₂CHCONH₂	Acrylamide	c79061
1057	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1058	CH₅N₃S	Hydrazinecarbothioamide	c79196
1059	H₂NCH₂COOH	Glycine	glycine
1060	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1061	C₄H₆O	cis-2-butenal	butenal2c
1062	C₄H₆O	Cyclobutanone	cbutone
1063	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1064	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1065	CH₂CHOCHCH₂	Vinyl ether	vinylether
1066	CHOCHCHCH₃	2-Butenal	butenal2
1067	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1068	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1069	C₂H₆N₂O	Urea, methyl-	c598505
1070	C₃H₆O₂	1,3-Dioxolane	dioxolane
1071	CH₃CH₂COOH	Propanoic Acid	propanoic
1072	CH₃COOCH₃	methyl acetate	aame
1073	HCOOC₂H₅	Ethyl formate	faee
1074	C₂H₆O₂S	Dimethyl sulfone	c67710
1075	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1076	C₃H₇NO	dimethylformamide	dmf
1077	C₃H₇NO	Propanamide	propanam
1078	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1079	C₄H₈O	Cyclobutanol	c2919235
1080	C₄H₈O	Furan, tetrahydro-	thf
1081	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1082	CH₃COCH₂CH₃	2-Butanone	buta2one
1083	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1084	CHOCH₂CH₂CH₃	Butanal	butanal
1085	C₄H₈S	Thiophene, tetrahydro-	tht
1086	C₃H₈O₂	1,3-Propanediol	c504632
1087	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1088	C₃H₈O₂	Methane, dimethoxy-	c109875
1089	C₃H₈O₂	Propylene glycol	c57556
1090	C₃H₈S₂	1,3-Propanedithiol	c109808
1091	C₄H₁₀O	1-Butanol	butanol1
1092	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1093	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1094	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1095	C₄H₁₀O	Methyl propyl ether	meopr
1096	C₄H₁₀O	Propane, 2-methoxy-	c598538
1097	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1098	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1099	C₂H₅SC₂H₅	Diethyl sulfide	etset
1100	C₄H₉SH	1-Butanethiol	bush
1101	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1102	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1103	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1104	FNO₃	Fluorine nitrate	fno3
1105	ClONO₂	Chlorine nitrate	clono2
1106	BrONO₂	Bromine nitrate	brono2
1107	TiCl₄	Titanium tetrachloride	ticl4
1108	ClO₄^-	perchlorate anion	clo4-
1109	BF₄^-	tetrafluoroboron anion	bf4-
1110	ClFO₃	Perchloryl fluoride	clfo3
1111	SO₂F₂	Sulfuryl fluoride	so2f2
1112	SO₂Cl₂	Sulfuryl chloride	so2cl2
1113	F₃NO	Nitrogen trifluoride oxide	f3no
1114	F₃PO	Phosphoryl fluoride	pf3o
1115	Cl₃PO	Phosphoryl chloride	pcl3o
1116	CF₄	Carbon tetrafluoride	cf4
1117	SiF₄	Silicon tetrafluoride	sif4
1118	TiF₄	Titanium tetrafluoride	tif4
1119	CFCl₃	Trichloromonofluoromethane	cfcl3
1120	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1121	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1122	SiCl₄	Silane, tetrachloro-	sicl4
1123	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1124	CF₃I	trifluoroiodomethane	cf3i
1125	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1126	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1127	GeCl₄	Germanium Tetrachloride	gecl4
1128	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1129	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1130	CCl₃I	trichloroiodomethane	ccl3i
1131	CFBr₃	fluorotribromomethane	cfbr3
1132	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1133	CBr₃Cl	tribromochloromethane	cbr3cl
1134	CF₂I₂	difluorodiiodomethane	cf2i2
1135	CBr₄	Carbon tetrabromide	cbr4
1136	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1137	SiBr₄	Silicon tetrabromide	sibr4
1138	CBr₃I	tribromoiododmethane	cbr3i
1139	GeBr₄	Germanium tetrabromide	gebr4
1140	CI₄	tetraiodomethane	ci4
1141	SiI₄	silicon tetraiodide	sii4
1142	ClOF₃	Chlorine trifluoride oxide	clof3
1143	SeF₄	Selenium tetrafluoride	sef4
1144	SCl₄	Sulfur tetrachloride	scl4
1145	C₂HF₃	Trifluoroethylene	c2hf3
1146	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
1147	CHClCCl₂	Trichloroethylene	chclccl2
1148	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1149	HClO₄	perchloric acid	hclo4
1150	HSO₃F	Fluorosulfonic acid	hso3f
1151	CF₃OH	trifluoromethanol	cf3oh
1152	CHClCCHCl	1,3-dichloroallene	chclcchcl
1153	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1154	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1155	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1156	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1157	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1158	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1159	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1160	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1161	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1162	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1163	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1164	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1165	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1166	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1167	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1168	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1169	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1170	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1171	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1172	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1173	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1174	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1175	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1176	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1177	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1178	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1179	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1180	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1181	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1182	C₄H₉F	1-fluorobutane	butaf1
1183	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1184	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1185	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1186	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1187	XeF₄	Xenon tetrafluoride	xef4
1188	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1189	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1190	C₆H₂	hexatriyne	c6h2
1191	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1192	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1193	C₆H₄	Benzyne	benzyne
1194	C₆H₅	phenyl	phenyl
1195	C₆H₅^-	phenyl anion	phenyl-
1196	C₆H₆	Prismane	prismane
1197	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1198	C₆H₆	2,4-Hexadiyne	hexadiyne
1199	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1200	C₆H₆	Benzvalene	bv
1201	C₆H₆	Dewar Benzene	dewar
1202	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1203	C₆H₆	Trimethylenecycopropane	tmcp
1204	C₆H₆⁺	Benzene cation	c6h6+
1205	C₆H₇⁺	benzene, protonated	c6h7+
1206	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1207	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1208	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1209	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1210	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1211	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1212	C₆H₈	3-Methylenecyclopentene	c930267
1213	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1214	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1215	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1216	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1217	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1218	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1219	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1220	C₆H₁₀	1,5-Hexadiene	c592427
1221	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1222	C₆H₁₀	1-Hexyne	hexyne1
1223	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1224	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1225	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1226	C₆H₁₀	2-Hexyne	c764352
1227	C₆H₁₀	3-Hexyne	hexyne3
1228	C₆H₁₀	cyclohexene	cyclohexene
1229	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1230	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1231	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1232	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1233	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1234	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1235	C₆H₁₂	(E)-2-Hexene	e2hexene
1236	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1237	C₆H₁₂	(E)-hex-3-ene	e3hexene
1238	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1239	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1240	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1241	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1242	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1243	C₆H₁₂	3-methylenepentane	c760214
1244	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1245	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1246	C₆H₁₂	Cyclohexane	cyclohexane
1247	C₆H₁₂	Cyclopentane, methyl-	c96377
1248	C₆H₁₂	Ethylcyclobutane	c4806615
1249	C₆H₁₂	hex-1-ene	hexene1
1250	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1251	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1252	C₆H₁₄	Hexane	hexane
1253	C₆H₁₄	Pentane, 2-methyl-	penta2
1254	C₆H₁₄	Pentane, 3-methyl-	penta3
1255	C₄N₂	2-Butynedinitrile	c4n2
1256	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1257	C₄H₂N₂	Fumaronitrile	c4h2n2
1258	C₂H₂N₄	sym-tetrazine	ttz
1259	C₃H₃N₃	1,3,5-Triazine	triazine135
1260	CH₃N₅	5-Aminotetrazole	c4418615
1261	C₄H₄N₂	1,3-Diazine	diazine13
1262	C₄H₄N₂	Pyrazine	pyrazine
1263	C₄H₄N₂	Pyridazine	pyridazine
1264	C₄H₄N₂	Succinonitrile	c110612
1265	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1266	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1267	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1268	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1269	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1270	C₅H₅N	Pyridine	pyridine
1271	B₃N₃H₆	borazine	borazine
1272	C₆H₆	Fulvene	fulvene
1273	C₅H₆N⁺	Pyridinium	c5h6n
1274	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1275	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1276	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1277	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1278	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1279	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1280	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1281	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1282	C₅H₉N	Pentanenitrile	c110598
1283	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1284	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1285	C₅H₁₁N	Cyclopentanamine	cypentam
1286	C₅H₁₁N	Piperidine	piper
1287	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1288	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1289	Li₂CO₃	Lithium Carbonate	li2co3
1290	Na₂CO₃	Sodium Carbonate	na2co3
1291	C₂O₄^--	oxalate anion	c2o4
1292	MgSO₄	Magnesium Sulfate	mgso4
1293	C₂H₂O₄	Oxalic Acid	oxalic
1294	C₂H₃NO₃	Oxamic acid	oxamic
1295	C₄H₄O₂	2(5H)-Furanone	furanone
1296	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1297	C₂H₄N₂O₂	Oxalamide	oxalamide
1298	C₂H₄N₂S₂	Ethanedithioamide	c79403
1299	C₂H₄CO₃	Ethylene carbonate	etco3
1300	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1301	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1302	C₄H₅NO	3-Methylisoxazole	isox3m
1303	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1304	C₄H₅NS	4-Methylthiazole	c693958
1305	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1306	C₅H₆O	2-methylfuran	furan2m
1307	C₅H₆O	3-Methylfuran	furan3m
1308	C₅H₆O	Pentadienal	pdal
1309	C₅H₆S	Thiophene, 2-methyl-	c554143
1310	C₅H₆S	Thiophene, 3-methyl-	c616444
1311	C₄H₆O₂	2,3-Butanedione	c431038
1312	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1313	C₄H₆O₂	Crotonic Acid	crot
1314	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1315	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1316	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1317	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1318	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1319	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1320	C₄H₆OS	Vinyl sulfoxide	c1115157
1321	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1322	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1323	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1324	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1325	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1326	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1327	C₄H₇NO	2-Pyrrolidinone	c616455
1328	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1329	C₄H₇NO	Methacrylamide	c79390
1330	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1331	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1332	C₃H₇ONO	Propyl nitrite	prono
1333	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1334	CH₃CH(NH₂)COOH	Alanine	alanine
1335	CH₃NHCH₂COOH	Sarcosine	sarcosine
1336	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1337	NH₂COOC₂H₅	Urethane	urethane
1338	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1339	C₅H₈O	Cyclopentanone	c120923
1340	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1341	C₅H₈O	Methyl cyclopropyl ketone	c765435
1342	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1343	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1344	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1345	C₄H₈O₂	1,3-Dioxane	dioxan13
1346	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1347	C₄H₈O₂	1,4-Dioxane	dioxan14
1348	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1349	C₄H₈OS	s-Ethyl thioacetate	c625605
1350	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1351	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1352	C₄H₉NO	Butanamide	c541355
1353	C₄H₉NO	Propanamide, 2-methyl-	c563837
1354	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1355	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1356	C₅H₁₀O	2-methylbutyraldehyde	2meba
1357	C₅H₁₀O	2-Pentanone	mpk
1358	C₅H₁₀O	3-Pentanone	dek
1359	C₅H₁₀O	Cyclopentanol	c96413
1360	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1361	C₅H₁₀O	Pentanal	pal
1362	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1363	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1364	C₅H₁₀S	Cyclopentanethiol	c1679078
1365	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1366	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1367	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1368	C₄H₁₀O₂	1,3-Butanediol	budiol13
1369	C₄H₁₀O₂	1,4-Butanediol	budiol14
1370	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1371	C₄H₁₀OS	Diethyl sulfoxide	c70291
1372	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1373	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1374	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1375	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1376	C₅H₁₂O	1-Pentanol	pentanol1
1377	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1378	C₅H₁₂O	2-Pentanol	peol2
1379	C₅H₁₂O	3-Pentanol	pentan3ol
1380	C₅H₁₂O	Butane, 1-methoxy-	meobu
1381	C₅H₁₂O	Propane, 1-ethoxy-	proet
1382	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1383	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1384	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1385	C₅H₁₂S	1-Pentanethiol	c110667
1386	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1387	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1388	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1389	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1390	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1391	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1392	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1393	C₄F₂	difluorobutadiyne	c4f2
1394	ClCOClCO	Oxalyl chloride	oxcl
1395	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1396	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1397	B₂F₄	Diboron tetrafluoride	b2f4
1398	B₂Cl₄	Diboron tetrachloride	b2cl4
1399	C₂F₄	Tetrafluoroethylene	c2f4
1400	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1401	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1402	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1403	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1404	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1405	C₂FCl₃	fluorotrichloroethene	c2fcl3
1406	C₂Cl₄	Tetrachloroethylene	c2cl4
1407	C₂Br₄	tetrabromoethene	c2br4
1408	CF₃OF	Trifluoromethylhypofluorite	cf3of
1409	SiF₅^-	silicon pentafluoride anion	sif5-
1410	SOF₄	Sulfur tetrafluoride oxide	sof4
1411	AsF₅	Arsenic pentafluoride	asf5
1412	PCl₅	Phosphorus pentachloride	pcl5
1413	SF₅	Sulfur pentafluoride	sf5
1414	SF₅⁺	pentafluoro sulfur cation	sf5+
1415	SbCl₅	Antimony pentachloride	sbcl5
1416	BrF₅	bromine pentafluoride	brf5
1417	ClF₅	chlorinepentafluoride	clf5
1418	IF₅	pentafluoroiodine	if5
1419	CF₃CHO	trifluoroacetaldehyde	cf3cho
1420	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1421	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1422	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1423	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1424	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1425	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1426	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1427	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1428	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1429	CF₃COOH	trifluoroacetic acid	cf3cooh
1430	C₄H₃ClO	Furan, 2-chloro	fur2cl
1431	C₄H₃ClO	Furan,3-chloro	fur3cl
1432	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1433	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1434	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1435	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1436	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1437	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1438	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1439	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1440	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1441	C₄H₈O₂	Butanoic acid	bua
1442	C₆H₅CH₂	benzyl radical	benzyl
1443	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1444	C₆H₅CH₃	toluene	toluene
1445	C₇H₈	cycloheptatriene	cht
1446	C₇H₈	Norbornadiene	norbor
1447	C₇H₈	Quadricyclane	qucy
1448	C₇H₁₂	Norbornane	nor
1449	C₇H₁₄	cycloheptane	c7h14
1450	C₇H₁₆	2-methylhexane	2mhex
1451	C₇H₁₆	3-methylhexane	hex3m
1452	C₇H₁₆	heptane	heptane
1453	CH(CN)₃	tricyanomethane	mecn3
1454	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1455	C₆H₇N	2-Methylpyridine	mp
1456	C₆H₅NH₂	aniline	aniline
1457	C₆H₁₃N	2-Methylpiperidine	pip2m
1458	C₆H₁₃N	cyclohexanamine	cham
1459	C₆H₁₅N	triethylamine	tea
1460	N₂O₅	Dinitrogen pentoxide	n2o5
1461	C₄H₂O₃	Maleic Anhydride	malan
1462	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1463	C₆H₅O	phenoxy radical	phenoxy
1464	C₅H₅NO	2(1H)-Pyridinone	c72762006
1465	C₅H₅NO	2(3H)-Pyridinone	c9000048
1466	C₅H₅NO	2(5H)-Pyridinone	c9000037
1467	C₅H₅NO	2-Pyridinol	c109104
1468	C₅H₅NO	3(2H)-Pyridinone	c9000004
1469	C₅H₅NO	3(4H)-Pyridinone	c9000026
1470	C₅H₅NO	3(6H)-Pyridinone	c9000015
1471	C₅H₅NO	3-Pyridinol	c109002
1472	C₅H₅NO	4(1H)-Pryidinone	c9000060
1473	C₅H₅NO	4(3H)-Pryidinone	c9000059
1474	C₅H₅NO	4-Pyridinol	c626642
1475	C₆H₅OH	phenol	phenol
1476	C₆H₆O	2,4-Cyclohexadienone	c24599573
1477	C₆H₆O	2,5-Cyclohexadienone	c5664335
1478	C₆H₅SH	Benzenethiol	phsh
1479	HO₂CCHNH₂CH₂OH	Serine	serine
1480	C₅H₈O₂	Acetylacetone	acac
1481	C₄H₈O₂S	Sulfolane	sulfolane
1482	C₇H₁₀	Norbornene	norbornene
1483	CH(C₂H₃)₃	trivinyl methane	tvm
1484	C₆H₁₀O	cyclohexanone	chexo
1485	C₆H₁₂O	hexanal	c6h12o
1486	C₃H₇OC₃H₇	di-n-propyl ether	propr
1487	F₂CCCF₂	tetrafluoroallene	pfa
1488	CF₃COO^-	trifluoro acetate anion	cf3coo-
1489	CF₃COF	trifluoroacetyl fluoride	cf3cof
1490	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1491	PF₆	Hexafluorophosphate neutral	pf6
1492	PF₆^-	Hexafluorophosphate ion	pf6-
1493	SeF₆	Selenium hexafluoride	sef6
1494	SF₅Cl	sulfur chloropentafluoride	sf5cl
1495	CF₃CHF₂	pentafluoroethane	cf3chf2
1496	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1497	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1498	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1499	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1500	C₆H₅F	Fluorobenzene	bzf
1501	C₆H₅Cl	chlorobenzene	bzcl
1502	C₆H₅Br	bromobenzene	bzbr
1503	C₈H₆	Calicene	calicene
1504	C₆H₅CCH	phenylacetylene	phac
1505	C₈H₆	benzocyclobutadiene	bcbd
1506	C₈H₆	Pentalene	pentalene
1507	C₆H₅CHCH₂	Styrene	styrene
1508	C₈H₈	cyclooctatetraene	cot
1509	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1510	CH₃C₆H₄CH₃	meta-xylene	mxylene
1511	CH₃C₆H₄CH₃	paraxylene	pxylene
1512	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1513	C₈H₁₆	cyclooctane	cyclooct
1514	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1515	C₈H₁₈	Octane	c8h18
1516	C₆H₅CN	phenyl cyanide	phcn
1517	C₆H₁₂N₂	Triethylenediamine	ted
1518	C₄O₄^--	squarate dianion	c4o4--
1519	S₄N₄	Tetrasulfur tetranitride	s4n4
1520	S₈	Octasulfur	s8
1521	C₆H₄O₂	parabenzoquinone	pbq
1522	C₄H₄N₂O₂	Uracil	uracil
1523	C₆H₅OCH₃	Anisole	anisole
1524	C₅H₉NO₂	Proline	proline
1525	C₆H₁₂O₂	Methyl pivalate	c598981
1526	C₆H₁₂O₂	Hexanoic acid	hexa
1527	C₄F₄	tetrafluorcyclobutadiene	c4f4
1528	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1529	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1530	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1531	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1532	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1533	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1534	C₂F₆	hexafluoroethane	c2f6
1535	C₂Cl₆	hexachloroethane	c2cl6
1536	IF₇	Iodine heptafluoride	if7
1537	C₆H₄F₂	metadifluorobenzene	mdfb
1538	C₆H₄F₂	orthodifluorobenzene	odfb
1539	C₆H₄F₂	1,4-difluorobenzene	pdfb
1540	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1541	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1542	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1543	C₆H₅NO	nitrosobenzene	bzno
1544	C₉H₈	Indene	indene
1545	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1546	C₉H₁₂	n-propyl benzene	prbz
1547	C₉H₂₀	Nonane	nonane
1548	C(CN)₄	tetracyanomethane	c5n4
1549	C₅H₄N₄	purine	purine
1550	C₈H₇N	Indole	indole
1551	C₃H₃N₃O₃	cyanuric acid	cyanuric
1552	C₆H₅NO₂	Nitrobenzene	c6h5no2
1553	C₆H₅COOH	benzoic acid	benzo
1554	CH₃COC₆H₅	acetophenone	acph
1555	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1556	C₃F₆	hexafluoropropene	c3f6
1557	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1558	C₈H₁₈O	1-Octanol	octanol
1559	C₁₀H₈	Azulene	azu
1560	C₁₀H₈	naphthalene	naph
1561	C₁₀H₁₀	bullvalene	bullv
1562	C₁₀H₁₆	adamantane	adamantane
1563	C₆N₄	Tetracyanoethylene	tcne
1564	C₆N₄^-	tetracyanoethylene anion	tcne-
1565	C₁₀H₂₂	Decane	decane
1566	C₄F₆	perfluorobutadiene	c4f6
1567	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1568	C₃F₈	perfluoropropane	c3f8
1569	Fe(CO)₅	Iron pentacarbonyl	ipc
1570	Fe(C₅H₅)₂	ferrocene	fecp2
1571	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1572	C₁₂H₈	Acenaphthylene	acenaph
1573	C₁₂H₈	biphenylene	biph
1574	C₁₂H₁₀	biphenyl	biphenyl
1575	C₁₂H₁₀	Heptalene	heptalene
1576	C₆H₁₂O₆	Inositol	inositol
1577	C₆F₆	hexafluorobenzene	c6f6
1578	S₂F₁₀	disulphur decafluoride	s2f10
1579	C₁₄H₁₀	Anthracene	anth
1580	C₁₄H₁₀	Phenanthrene	phenanthrene
1581	C₁₄H₁₄	Bibenzyl	bibenzyl
1582	C₁₂H₁₀N₂	azobenzene	azobenzene
1583	C₆H₅COC₆H₅	benzophenone	benzophenone
1584	C₁₆H₁₀	Pyrene	pyrene
1585	C₁₈H₁₂	Tetracene	tetracene
1586	C₁₉H₁₆	Triphenylmethane	tpm
1587	C₂₄H₁₂	Coronene	coronene
1588	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