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

List of which calculations are completed at CCSD=FULL /daug-cc-pVTZ

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
4	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
5	He	Helium atom	¹S	K_h
6	He	Helium atom
7	He⁺	Helium atom cation	²S	K_h
8	Li^-	Lithium atom anion	¹S	K_h
9	LiH	Lithium Hydride	¹Σ	C_∞v
10	MgH	magnesium monohydride	²Σ	C_∞v
11	ZnH⁺	Zinc, protonated
12	Al^-	Aluminum atom anion	³P	K_h
13	Al⁺	Aluminum atom cation	¹S	K_h
14	Ga	Gallium atom	²P
15	Ga^-	Gallium atom anion	³P	O_h
16	Ga⁺	Gallium atom cation	¹S
17	GaH	Gallium monohydride	¹Σ	C_∞v
18	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
19	AlH₃^-	aluminum trihydride anion		C_3v
20	C	Carbon atom	³P₀	K_h
21	Si^-	Silicon atom anion	⁴S	K_h
22	Ge	Germanium atom	³P	K_h
23	Ge^-	Germanium anion	⁴S	K_h
24	Ge⁺	Germanium cation	²P	K_h
25	CH	Methylidyne	²Π_1/2	C_∞v
26	SiH	Silylidyne	²Π	C_∞v
27	GeH	germylidene	²Π	C_∞v
28	CH₂^-	methylene anion	²B₁	C_2v
29	GeH₂	germylene	¹A₁	C_2v
30	CH₃^-	methyl anion	¹A₁	C_3v
31	SiH₃	Silyl radical	²A₁	C_3v
32	GeH₃	Germyl radical	²A₁	C_3v
33	GeH₃⁺	germyl cation	¹A₁^'	D_3h
34	CH₄	Methane	¹A₁	T_d
35	SiH₂D₂	silane-d2
36	SiH₅⁺	Silane, protonated
37	N	Nitrogen atom	⁴S	K_h
38	As	Arsenic atomic	⁴S	K_h
39	As^-	Arsenic anion	³P	K_h
40	As⁺	Arsenic cation	³P	K_h
41	PH	phosphorus monohydride	³Σ^-	C_∞v
42	AsH	Arsenic monohydride	³Σ	C_∞v
43	NH₂	Amino radical	²B₁	C_2v
44	NH₃	Ammonia	¹A₁	C_3v
45	PH₃⁺	Phosphine cation	²A₁	C_3v
46	AsH₃⁺	Arsine cation	²A₁	C_3v
47	AsH₄⁺	Arsonium
48	NH₄	Ammonium radical
49	PH₄	Phosphoranyl radical
50	O	Oxygen atom	³S	K_h
51	S	Sulfur atom	³P	K_h
52	S	Sulfur atom
53	S^-	Sulfur atom anion	²P	K_h
54	Se	Selenium atom	³P	K_h
55	Se^-	Selenium atom anion	²P	K_h
56	Se⁺	Selenium atom cation	⁴S	K_h
57	OH	Hydroxyl radical	²Π	C_∞v
58	OH^-	hydroxide anion	¹Σ	C_∞v
59	OH⁺	hydoxyl cation	³Σ	C_∞v
60	HSe	Selenium monohydride	²Π	C_∞v
61	HSe^-	selenium monohydride anion	¹Σ	C_∞v
62	HSe⁺	selenium monohydride cation	³Σ	C_∞v
63	H₂O	Water	¹A₁	C_2v
64	H₂O^-	water anion	²A₁	C_2v
65	H₂O^-	water anion	²A^'	C_s
66	H₂S	Hydrogen sulfide	¹A₁	C_2v
67	H₂Se	Hydrogen selenide	¹A₁	C_2v
68	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
69	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
70	F	Fluorine atom	²P	K_h
71	F^-	Fluorine atom anion	¹S	K_h
72	Cl	Chlorine atom	²P	K_h
73	Cl^-	Chlorine atom anion	¹S	K_h
74	Br	Bromine atom	²P	K_h
75	Br^-	Bromine atom anion	¹S	K_h
76	Br⁺	Bromine atom cation	³P	K_h
77	HF	Hydrogen fluoride	¹Σ	C_∞v
78	HF^-	hydrogen fluoride anion	²Σ	C_∞v
79	HF⁺	hydrogen fluoride cation	²Π	C_∞v
80	HCl	Hydrogen chloride	¹Σ	C_∞v
81	HCl^-	hydrogen chloride anion	²Σ	C_∞v
82	HCl⁺	hydrogen chloride cation	²Π	C_∞v
83	HBr	hydrogen bromide	¹Σ	C_∞v
84	HBr^-	hydrogen bromide anion	²Σ	C_∞v
85	HBr⁺	hydrogen bromide cation	²Π	C_∞v
86	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
87	Ne	Neon atom
88	HeLi⁺	Helium Lithium cation
89	ArH⁺	Argon hydride cation	¹Σ	C_∞v
90	NaLi	lithium sodium	¹Σ	C_∞v
91	Na₂	Sodium diatomic	¹Σ_g	D_∞h
92	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
93	LiAl	Lithium Aluminum
94	HBBH	Diborane(2)	³Σ_G	D_∞h
95	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
96	B₂H₆	Diborane	¹A_g	D_2h
97	B₂H₆⁺	Diborane cation
98	GeC	Germanium monocarbide	¹Σ	C_∞v
99	SiGe	Silicon Germanium
100	C₂H^-	Ethynyl anion	¹Σ	C_∞v
101	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
102	C₂H₂⁺	acetylene cation
103	Si₂H₂	disilyne
104	Si₂H₂	disilyne
105	Si₂H₂	disilyne
106	Si₂H₂	disilyne
107	CH₃Li	methyl lithium	¹A₁	C_3v
108	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
109	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
110	C₂H₄	Ethylene	¹A_g	D_2h
111	Si₂H₄	Disilene
112	Si₂H₄	Disilene
113	Si₂H₄	Disilene
114	C₂H₆	Ethane	¹A_1g	D_3d
115	Si₂H₆	disilane	¹E_u	D_3d
116	LiN	Lithium Nitride	³Σ	C_∞v
117	LiP	Lithium monophosphide
118	LiP	Lithium monophosphide
119	MgN	Magnesium Nitride
120	GaAs	Gallium arsenide	³Π
121	GaAs	Gallium arsenide	¹Σ
122	CN	Cyano radical	²Σ	C_∞v
123	SiP	Silicon monophosphide	²Π	C_∞v
124	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
125	N₂	Nitrogen diatomic
126	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
127	PN	Phosphorus mononitride	¹Σ	C_∞v
128	HCN	Hydrogen cyanide	¹Σ	C_∞v
129	HNC⁺	hydrogen isocyanide cation
130	HCP⁺	Phosphaethyne cation
131	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
132	LiNH₂	lithium amide
133	H₂NN	Isodiazene
134	CH₂NH	Methanimine	¹A^'	C_s
135	CH₂NH⁺	Methanimine cation
136	CHNH₂	aminomethylene
137	CHNH₂⁺	Aminocarbene cation
138	BH₂NH₂	Boranamine
139	CH₃NH₂	methyl amine	¹A^'	C_s
140	SiH₃NH₂	Silane, amino
141	BH₃PH₃	borane phosphine
142	LiSe	Lithium monoselenide
143	GaO	Gallium monoxide	²Σ	C_∞v
144	GaS	Gallium monosulfide
145	CO	Carbon monoxide	¹Σ	C_∞v
146	CO^-	carbon monoxide anion	²Π	C_∞v
147	CO⁺	carbon monoxide cation	²Σ	C_∞v
148	SiO	Silicon monoxide	¹Σ	C_∞v
149	SiS	silicon monosulfide	¹Σ	C_∞v
150	CSe	Carbon monoselenide	¹Σ	C_∞v
151	GeO	Germanium monoxide	¹Σ	C_∞v
152	SiSe	Silicon Monoselenide
153	SiSe⁺	Silicon Monoselenide cation
154	GeSe	Germanium monoselenide
155	NO	Nitric oxide	²Π	C_∞v
156	NO^-	nitric oxide anion	³Σ	C_∞v
157	PS	phosphorus sulfide	²Σ	C_∞v
158	O₂	Oxygen diatomic	³Σ_g	D_∞h
159	O₂^-	oxygen diatomic anion	²Π	D_∞h
160	O₂^--	dioxygen dianion
161	SO	Sulfur monoxide	³Σ	C_∞v
162	SO	Sulfur monoxide	¹Σ	C_∞v
163	SO⁺	sulfur monoxide cation	²Π	C_∞v
164	S₂	Sulfur diatomic	³Σ_g	D_∞h
165	SeO	Selenium monoxide	³Σ	C_∞v
166	Se₂	Selenium diatomic	³Σ_g	D_∞h
167	BeOH	beryllium monohydroxide	²A^'	C_s
168	HBS	hydrogen boron sulfide	¹Σ	C_∞v
169	COH	Hydroxymethylidyne
170	HCO	Formyl radical	²A^'	C_s
171	HCO⁺	Formyl cation	¹Σ	C_∞v
172	HNO	Nitrosyl hydride	¹A^'	C_s
173	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
174	HSO⁺	Sulfur Monoxide, S-protonated
175	SOH	Sulfur Hydroxide
176	SOH⁺	Sulfur Monoxide, protonated
177	H₂CO	Formaldehyde	¹A₁	C_2v
178	H₂CO^-	formaldehyde anion	²A^'	C_s
179	H₂CO^-	formaldehyde anion
180	H₂CO⁺	formaldehyde cation	²B₂	C_2v
181	H₂CS	Thioformaldehyde	¹A₁	C_2v
182	H₂CSe	Selenoformaldehyde
183	H₂O₂	Hydrogen peroxide	¹A	C₂
184	H₂OO	water oxide
185	HOSH	hydrogen thioperoxide
186	H₂Se₂	hydrogen diselenide
187	NH₂OH	hydroxylamine	¹A^'	C_s
188	NH₂OH⁺	Hydroxylamine cation
189	CH₃OH	Methyl alcohol	¹A^'	C_s
190	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
191	SiH₃OH	silanol
192	NH₂OH₂⁺	protonated hydroxylamine
193	NH₃OH⁺	N-protonated hydroxylamine
194	LiF	lithium fluoride	¹Σ	C_∞v
195	LiCl	lithium chloride	¹Σ	C_∞v
196	NaF⁺	sodium fluoride cation	²Σ	C_∞v
197	LiBr	Lithium Bromide	¹Σ	C_∞v
198	LiF⁺	lithium fluoride cation	²Π	C_∞v
199	BF	Boron monofluoride	¹Σ	C_∞v
200	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
201	GaF	Gallium monofluoride	¹Σ	C_∞v
202	AlBr	Aluminum monobromide
203	GaCl	Gallium monochloride	¹Σ_G	C_∞v
204	GaBr	Gallium monobromide
205	CF	Fluoromethylidyne	²Π	C_∞v
206	SiCl	Clorosilylidyne	²Π	C_∞v
207	GeF	Germanium monofluoride	²Π	C_∞v
208	GeCl	Germanium monochloride	²Π	C_∞v
209	GeCl⁺	Germanium monochloride cation
210	SiBr⁺	Silicon monobromide cation
211	PBr	Phosphorus monobromide
212	ClO	Monochlorine monoxide	²Π	C_∞v
213	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
214	SF	Monosulfur monofluoride	²Π	C_∞v
215	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
216	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
217	BrO	Bromine monoxide	²Π	C_∞v
218	BrO⁺	Bromine monoxide cation
219	SBr	Sulfur monobromide radical
220	SBr⁺	Sulfur monobromide cation
221	SeBr	Selenium monobromide
222	BrCl	Bromine monochloride	¹Σ	C_∞v
223	F₂	Fluorine diatomic	¹Σ_g	D_∞h
224	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
225	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
226	ClF⁺	clorine monofluoride cation	²Π	C_∞v
227	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
228	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
229	BrF	Bromine monofluoride	¹Σ	C_∞v
230	Br₂	Bromine diatomic	¹Σ_g	D_∞h
231	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
232	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
233	HCF	Fluoromethylene	¹A^'	C_s
234	HCF	Fluoromethylene	³A^"	C_s
235	HSiF	fluorosilylene
236	HSiCl	Chlorosilylene
237	HSiBr	monobromosilylene
238	HOF	Hypofluorous acid	¹A^'	C_s
239	HOCl	hypochlorous acid	¹A^'	C_s
240	HOCl⁺	hypochlorous acid cation
241	ClFH⁺	Chlorine fluoride, F-protonated
242	FClH⁺	Chlorine fluoride, Cl-protonated
243	CH₂Br	bromomethyl radical
244	CH₂F⁺	fluoromethyl cation
245	CH₂Cl⁺	chloromethyl cation
246	CH₂Cl	chloromethyl radical	²A^'	C_s
247	CH₂Cl	chloromethyl radical	²B₁	C_2v
248	NH₂Cl	chloramine	¹A^'	C_s
249	CH₃F⁺	methyl fluoride cation
250	CH₃F	Methyl fluoride	¹A₁	C_3v
251	CH₃Cl	Methyl chloride	¹A₁	C_3v
252	SiH₃F	monofluorosilane	¹A₁	C_3v
253	SiH₃Cl	chlorosilane	¹A₁	C₁
254	CH₃Br	methyl bromide	¹A₁	C_3v
255	GeH₃F	monofluorogermane
256	GeH₃Cl	monochlorogermane
257	NH₃Cl⁺	protonated monochloroammonia
258	NH₄Cl	Ammonium chloride
259	Ar₂	Argon diatomic	¹S_g	D_∞h
260	SiC₂	Silicon dicarbide
261	C₃H₄	cyclopropene	¹A₁	C_2v
262	CH₂CCH₂	allene	¹A₁	D_2d
263	CH₃CCH	propyne	¹A^'	C_3v
264	CH₂CHCH₃	Propene	¹A^'	C_s
265	C₃H₇	n-Propyl radical	²A^"	C₁
266	Si₃H₈	trisilane
267	AlCN	Aluminum monocyanide
268	AlNC	Aluminum isocyanide
269	CNN	Diazocarbene
270	HN₃	hydrogen azide	¹A^'	C_s
271	HN₃⁺	Hydrazoic acid cation
272	HNCNH	diiminomethane	¹A	C₂
273	HNNNH⁺	1,2-Triazadienium
274	NH₂NN⁺	hydrazoic acid, protonated
275	CH₃CN	Acetonitrile	¹A₁	C_3v
276	CH₃CN^-	acetonitrile anion	²E	C_3v
277	CH₃CN^-	acetonitrile anion	²A^'	C_s
278	HCNCH₂⁺	2H-Azirine cation
279	NH₂CNH⁺	cyanamide, cn protonated
280	NH₃CN⁺	cyanamide, amine protonated
281	Na₂S	Sodium sulfide
282	Na₂S	Sodium sulfide
283	LiO₂	Lithium dioxide
284	NaO₂	Sodium superoxide
285	N₂O	Nitrous oxide	¹Σ	C_∞v
286	CO₂	Carbon dioxide	¹Σ_g	D_∞h
287	OCS	Carbonyl sulfide	¹Σ	C_∞v
288	CS₂	Carbon disulfide	¹Σ_g	D_∞h
289	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
290	OCSe	Carbonyl selenide	¹Σ	C_∞v
291	SCSe	Carbon sulfide selenide
292	NSO	sulfinyl amidogen
293	SNO	Nitrogen oxide sulfide
294	SO₂	Sulfur dioxide	¹A₁	C_2v
295	SSO	Disulfur monoxide	¹A^'	C_s
296	S₃	Sulfur trimer	¹A₁	C_2v
297	SeO₂	Selenium dioxide	¹A₁	C_2v
298	HCCO	ketenyl radical	²Π	C_∞v
299	HCCO	ketenyl radical	²A^"	C_s
300	HCNO	fulminic acid	¹Σ	C_∞v
301	HOCO	Hydrocarboxyl radical	¹A^'	cis
302	HOCO	Hydrocarboxyl radical	¹A^'	trans
303	O₃H⁺	protonated ozone	¹A^'	C_s
304	O₃H⁺	protonated ozone
305	C₂H₂O	Oxirene	¹A₁	C_2v
306	CH₂CO	Ketene	¹A₁	C_2v
307	CH₂CS	Thioketene
308	HCOOH	Formic acid
309	BH₃CO	Borane carbonyl	¹A₁	C_3v
310	NHCHSH	Methanimidothioic acid
311	C₂H₄O	Ethylene oxide	¹A₁	C_2v
312	C₂H₄O⁺	ethylene oxide cation
313	CH₃CHO	Acetaldehyde	¹A^'	C_s
314	CH₃CHO⁺	acetaldehyde cation
315	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
316	C₂H₄S	Thiirane	¹A₁	C_2v
317	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
318	NH₂CHOH⁺	Formamide, O-protonated
319	CH₃SSH	Hydrogen methyl disulfide
320	HSCH₂SH	Methanedithiol
321	CH₃CH₂SH	ethanethiol	¹A^'	C_s
322	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
323	BrCN	Cyanogen bromide	¹Σ	C_∞v
324	FBO	Boron monofluoride monoxide
325	BeBr₂	Beryllium bromide
326	FNO	Nitrosyl fluoride	¹A^'	C_s
327	ClNO	Nitrosyl chloride	¹A^'	C_s
328	CF₂	Difluoromethylene	¹A₁	D_∞h
329	SiF₂	Silicon difluoride	¹A₁	C_2v
330	GeCl₂	Germanium dichloride	¹A₁	C_2v
331	FOO⁺	Fluorine dioxide cation
332	OClO	Chlorine dioxide	²B₁	D_∞h
333	BrOO	Bromine dioxide
334	OBrO	Bromine dioxide radical	²B₁	C_2v
335	PF₂	Phosphorus difluoride
336	PF₂⁺	Phosphorus difluoride cation
337	SF₂	sulfur difluoride	¹A₁	C_2v
338	SeF₂	Selenium difluoride
339	SeCl₂	Selenium Dichloride
340	SBr₂	Sulfur dibromide
341	SeBr₂	Selenium dibromide
342	Br₃^-	tribromide anion
343	SFCl	Sulfur chloride fluoride
344	HCCF	Fluoroacetylene	¹Σ	C_∞v
345	CHF₂	difluoromethyl radical	²A	C_s
346	CHF₂⁺	difluoromethyl cation
347	CHFCl	Chlorofluoromethyl radical
348	CHFCl⁺	Chlorofluoromethyl cation
349	CHCl₂⁺	dichloromethyl cation
350	NHF₂	difluoramine
351	NHCl₂	dichloroamine
352	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
353	SiH₂F₂	difluorosilane
354	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
355	CH₂Br₂	dibromomethane	¹A₁	C_2v
356	CH₃MgBr	Methyl Magnesium Bromide
357	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
358	CH₂FOH	fluoromethanol
359	C₄	Carbon tetramer	³Σ_g	D_∞h
360	C₄	Carbon tetramer
361	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
362	C₄H₄	Tetrahedrane
363	C₄H₆	1-Methylcyclopropene	¹A	C₁
364	H₂CNCN	cyanamide, methylene
365	HNCCNH	Ethenediimine
366	H₂NCHCHNH₂	diaminoethylene
367	ONNO	NO dimer	¹A_g	trans C2H
368	ONNO	NO dimer	¹A₁	cis C2V
369	SO₃	Sulfur trioxide	¹A₁^'	D_3h
370	SO₃^--	Sulfate dianion
371	S₄	Sulfur tetramer
372	S₄	Sulfur tetramer
373	S₄	Sulfur tetramer
374	HNO₃	Nitric acid	¹A^'	C_s
375	C₃H₂O	Propadienal
376	C₃H₂O	Propadienal
377	C₂H₂O₂	Ethanedial	¹A_g	C_2h
378	CH₃NCO	methylisocyante
379	H₃AlO₃	Aluminum hydroxide
380	CH₂CHCHO	Acrolein	¹A^'	C_s
381	CH₂CHCHO	Acrolein
382	CH₂C(OH)NH₂	1-amino vinyl alchohol
383	CH₃C(OH)=NH	Ethaninidic acid
384	CH₃CSNH₂	Ethanethioamide
385	CH₃CH₂CHO	Propanal	¹A^'	C_s
386	Li₂F₂	Lithium fluoride dimer
387	CF₂O	Carbonic difluoride	¹A₁	C_2v
388	CF₂O⁺	Carbonic difluoride cation
389	BF₃⁺	boron trifluoride cation
390	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
391	BCl₃⁺	Boron Trichloride cation
392	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
393	CF₂Cl	difluorochloromethyl radical
394	CFCl₂	dichlorofluoromethyl radical
395	SSCl₂	Thiothionyl chloride
396	NF₃	Nitrogen trifluoride	¹A₁	C_3v
397	CHF₃	Methane, trifluoro-	¹A₁	C_3v
398	SiHF₃	trifluorosilane
399	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
400	CHBr₂F	dibromofluoromethane
401	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
402	CH₂CHCH₂F	Allyl Fluoride
403	CH₂CHCH₂F	Allyl Fluoride
404	CH₂FCH₂CH₃	1-Fluoropropane
405	C₅H₄	pentatetraene
406	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
407	B₂O₃	diboron trioxide
408	B₂O₃	diboron trioxide
409	CHOOCHO	diformyl ether
410	C₃H₃NO	Isoxazole	¹A^'	C_s
411	C₄H₄Se	selenophene
412	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
413	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
414	CBr₂ClF	dibromochlorofluoromethane
415	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
416	C₆H₆	Prismane
417	C₆H₆	Dewar Benzene
418	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
419	C₃H₂O₃	vinylene carbonate
420	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
421	SF₆	Sulfur Hexafluoride	¹A_1G	O_h

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 cation	h2+
7	HD	Deuterium hydride	hd
8	H₃⁺	hydrogen trimer cation	h3+
9	He^-	Helium atom anion	he-
10	HeH	Helium hydride	heh
11	HeH⁺	Helium hydride cation	heh+
12	He₂⁺	helium diatomic cation	he2+
13	Li	Lithium atom	li
14	Li⁺	Lithium atom cation	li+
15	Na	Sodium atom	na
16	Na^-	Sodium atom anion	na-
17	Na⁺	Sodium atom cation	na+
18	K	Potassium atom	k
19	K^-	Potassium atom anion	k-
20	K⁺	Potassium atom cation	k+
21	Cu	Copper atom	cu
22	Cu^-	Copper atom anion	cu-
23	Cu⁺	Copper atom cation	cu+
24	LiH^-	lithium hydride anion	lih-
25	LiH⁺	lithium hydride cation	lih+
26	NaH	sodium hydride	nah
27	NaH^-	sodium hydride anion	nah-
28	NaH⁺	sodium hydride cation	nah+
29	KH	Potassium hydride	kh
30	KH⁺	Potassium hydrogen cation	kh+
31	CuH	Copper monohydride	cuh
32	Be	Beryllium atom	be
33	Be^-	Beryllium atom anion	be-
34	Be⁺	Beryllium atom cation	be+
35	Mg	Magnesium atom	mg
36	Mg^-	Magnesium atom anion	mg-
37	Mg⁺	Magnesium atom cation	mg+
38	Ca	Calcium atom	ca
39	Ca^-	Calcium atom anion	ca-
40	Ca⁺	Calcium atom cation	ca+
41	Zn	Zinc atom	zn
42	Zn^-	Zinc atom anion	zn-
43	Zn⁺	Zinc atom cation	zn+
44	BeH	beryllium monohydride	beh
45	BeH^-	berylium monohydride anion	beh-
46	BeH⁺	beryllium monohydride cation	beh+
47	MgH^-	magnesium monohydride anion	mgh-
48	MgH⁺	magnesium monohydride cation	mgh+
49	CaH	Calcium monohydride	cah
50	CaH⁺	Calcium monohydride cation	cah+
51	TiH	Titanium monohydride	tih
52	ZnH	Zinc monohydride	znh
53	BeH₂	beryllium dihydride	beh2
54	BeH₂⁺	Beryllium dihydride cation	beh2+
55	MgH₂	magnesium dihydride	mgh2
56	CaH₂	Calcium Hydride	cah2
57	ZnH₂	Zinc hydride	znh2
58	B	Boron atom	b
59	B^-	Boron atom anion	b-
60	B⁺	Boron atom cation	b+
61	Al	Aluminum atom	al
62	Sc	Scandium atom	sc
63	Sc⁺	Scandium cation	sc+
64	BH	Boron monohydride	bh
65	BH^-	boron monohydride anion	bh-
66	BH⁺	boron monohydride cation	bh+
67	AlH	aluminum monohydride	alh
68	AlH^-	aluminum monohydride anion	alh-
69	AlH⁺	aluminum monohydride cation	alh+
70	ScH	Scandium monohydride	sch
71	ScH⁺	Scandium monohydride cation	sch+
72	BH₂	boron dihydride	bh2
73	BH₂^-	boron dihydride anion	bh2-
74	BH₂⁺	Boron dihydride cation	bh2+
75	AlH₂	aluminum dihydride	alh2
76	AlH₂^-	aluminum dihydride anion	alh2-
77	AlH₂⁺	aluminum dihydride cation	alh2+
78	BH₃	boron trihydride	bh3
79	BH₃^-	boron trihydride anion	bh3-
80	BH₃⁺	boron trihydride cation	bh3+
81	AlH₃	aluminum trihydride	alh3
82	AlH₃⁺	aluminum trihydride cation	alh3+
83	ScH₃	Scandium trihydride	sch3
84	GaH₃	Gallium trihydride	gah3
85	BH₄	borohydride	bh4
86	BH₄^-	borohydride anion	bh4-
87	AlH₄^-	Aluminum tetrahydride anion	alh4-
88	C^-	Carbon atom anion	c-
89	C⁺	Carbon atom cation	c+
90	Si	Silicon atom	si
91	Si⁺	Silicon atom cation	si+
92	Ti	Titanium atom	ti
93	Ti^-	Titanium atom anion	ti-
94	Ti⁺	Titanium atom cation	ti+
95	Sn	Tin atom	sn
96	Sn⁺	Tin cation	sn+
97	CH^-	methylidyne anion	ch-
98	CH⁺	Methylidyne cation	ch+
99	SiH^-	silicon monohydride anion	sih-
100	SiH⁺	silicon monohydride cation	sih+
101	GeH⁺	Germaniun monohyrdide cation	geh+
102	CH₂	Methylene	ch2
103	CH₂⁺	methylene cation	ch2+
104	SiH₂	silicon dihydride	sih2
105	SiH₂^-	silicon dihydride anion	sih2-
106	SiH₂⁺	silicon dihydride cation	sih2+
107	GeH₂^-	germylene anion	geh2-
108	CH₃	Methyl radical	ch3
109	CH₃⁺	methyl cation	ch3+
110	SiH₃^-	Silyl anion	sih3-
111	SiH₃⁺	Silyl cation	sih3+
112	CD₄	methane-d4	cd4
113	CH₂D₂	methane-d2	ch2d2
114	CH₃D	methane-d	ch3d
115	CH₄^-	Methane anion	ch4-
116	CH₄⁺	Methane cation	ch4+
117	CHD₃	methane-d3	chd3
118	SiH₄	Silane	sih4
119	SiH₄⁺	Silane cation	sih4+
120	GeH₄	Germane	geh4
121	SnH₄	Stannane	snh4
122	N^-	Nitrogen atom anion	n-
123	N⁺	Nitrogen atom cation	n+
124	P	Phosphorus atom	p
125	P^-	Phosphorus atom anion	p-
126	P⁺	Phosphorus atom cation	p+
127	V	Vanadium atom	v
128	V⁺	Vanadium atom cation	v+
129	Sb	Antimony atom	sb
130	NH	Imidogen	nh
131	NH^-	Imidogen anion	nh-
132	NH⁺	imidogen cation	nh+
133	PH^-	phosphorus monohydride anion	ph-
134	PH⁺	phosphorus monohydride cation	ph+
135	AsH⁺	Arsenic monohydride cation	ash+
136	SbH	Antimony monohydride	sbh
137	ND₂	Amidogen-d2	nd2
138	NH₂^-	amino anion	nh2-
139	NH₂⁺	Amino cation	nh2+
140	PH₂	Phosphino radical	ph2
141	PH₂^-	Phosphino anion	ph2-
142	PH₂⁺	Phosphino cation	ph2+
143	AsH₂	Arsenic dihydride	ash2
144	AsH₂⁺	Arsenic dihydride cation	ash2+
145	ND₃	Ammonia-d3	nd3
146	NH₃^-	Ammonia anion	nh3-
147	NH₃⁺	ammonia cation	nh3+
148	PH₃	Phosphine	ph3
149	AsH₃	Arsine	ash3
150	SbH₃	Stibine	sbh3
151	NH₄⁺	ammonium cation	nh4+
152	PH₄⁺	phosphonium cation	ph4+
153	O^-	Oxygen atom anion	o-
154	O⁺	Oxygen atom cation	o+
155	S⁺	Sulfur atom cation	s+
156	Cr	Chromium atom	cr
157	Te	Tellurium atom	te
158	Te⁺	Tellurium atom cation	te+
159	DO	Hydroxyl-d	od
160	DS	Mercapto-d	ds
161	HS	Mercapto radical	hs
162	HS^-	mercapto anion	sh-
163	HS⁺	sulfur monohydride cation	sh+
164	CrH	Chromium hydride	crh
165	CrH⁺	Chromium hydride cation	crh+
166	TeH	Telluryl radical	teh
167	D₂O	Deuterium oxide	d2o
168	H₂O⁺	water cation	h2o+
169	HDO	Water-d1	hdo
170	D₂S	Hydrogen sulfide-d2	d2s
171	H₂S^-	Hydrogen sulfide anion	h2s-
172	H₂S⁺	Hydrogen sulfide cation	h2s+
173	H₂Te	Hydrogen Telluride	h2te
174	H₃O⁺	hydronium cation	h3o+
175	H₃S⁺	Sulfonium cation	h3s+
176	F⁺	Fluorine atom cation	f+
177	Cl⁺	Chlorine atom cation	cl+
178	Mn	Manganese atom	mn
179	I	Iodine atom	iodine
180	I^-	Iodine atom anion	iodine-
181	I⁺	Iodine atom cation	iodine+
182	DF	Hydrofluoric acid-d	df
183	DCl	Hydrochloric acid-d	dcl
184	HI	Hydrogen iodide	hi
185	HI⁺	Hydrogen iodide cation	hi+
186	H₂F⁺	dihydrogen fluoride cation	h2f+
187	H₂Cl⁺	dihydrogen monochloride cation	h2cl+
188	H₂I⁺	Iodonium	h2i+
189	Ne	Neon atom	ne
190	Ne^-	Neon atom anion	ne-
191	Ne⁺	Neon atom cation	ne+
192	Ar	Argon atom	ar
193	Ar^-	Argon atom anion	ar-
194	Ar⁺	Argon atom cation	ar+
195	Fe	Iron atom	fe
196	Kr	Krypton atom	kr
197	Kr⁺	Krypton cation	kr+
198	Xe	Xenon atom	xe
199	NeH	neon hydrogen	neh
200	NeH⁺	neon hydrogen cation	neh+
201	KrH⁺	Protonated Krypton	krh+
202	XeH⁺	Xenon, protonated	xeh+
203	H₂Ar	H2 Ar dimer	h2ar
204	Co	Cobalt atom	cobalt
205	Ni	Nickel atom	ni
206	Li₂	Lithium diatomic	li2
207	Li₂^-	lithium diatomic anion	li2-
208	Li₂⁺	lithium diatomic cation	li2+
209	NaLi^-	lithium sodium anion	lina-
210	NaLi⁺	lithium sodium cation	lina+
211	LiK	Lithium Potassium	lik
212	Na₂⁺	sodium diatomic cation	na2+
213	NaK	Sodium Potassium	nak
214	NaK⁺	Sodium Potassium diatomic cation	nak+
215	K₂	Potassium diatomic	k2
216	Cu₂	Copper diatomic	cu2
217	LiBe	Lithium Beryllium	libe
218	LiMg	Lithium magnesium	limg
219	NaBe	Sodium Beryllium	nabe
220	NaMg	Sodium Magnesium	namg
221	Be₂	Beryllium diatomic	be2
222	Be₂^-	Beryllium diatomic anion	be2-
223	Be₂⁺	Beryllium diatomic cation	be2+
224	BeMg	Beryllium Magnesium	bemg
225	Mg₂	Magnesium diatomic	mg2
226	Mg₂^-	magnesium diatomic anion	mg2-
227	Mg₂⁺	magnesium diatomic cation	mg2+
228	Ca₂	Calcium diatomic	ca2
229	LiB	Lithium boride	lib
230	NaAl	Sodium aluminum	naal
231	BeB	Beryllium monoboride	beb
232	B₂	Boron diatomic	b2
233	B₂^-	Boron diatomic anion	b2-
234	B₂⁺	Boron diatomic cation	b2+
235	BAl	Boron Aluminum	bal
236	Al₂	Aluminum diatomic	al2
237	Al₂^-	aluminum diatomic anion	al2-
238	Al₂⁺	aluminum diatomic cation	al2+
239	BGa	Boron Gallium	bga
240	AlGa	Aluminum Gallium	alga
241	Ga₂	Gallium diatomic	ga2
242	LiBH₄	Lithium borohydride	libh4
243	HBHHBH	Diborane(4) C2V	hbhhbh
244	Al₂H₆	dialane	al2h6
245	Ga₂H₆	digallane	ga2h6
246	LiC	Lithium Carbide	lic
247	BeC	Beryllium Carbide	bec
248	CaC	Calcium monocarbide	cac
249	BC	boron monocarbide	bc
250	BC^-	boron monocarbide anion	bc-
251	BC⁺	boron monocarbide cation	bc+
252	AlC	Aluminum carbide	alc
253	BSi	Boron silicide	bsi
254	C₂	Carbon diatomic	c2
255	C₂^-	carbon diatomic anion	c2-
256	C₂⁺	carbon diatomic cation	c2+
257	SiC	silicon monocarbide	sic
258	SiC^-	silicon monocarbide anion	sic-
259	SiC⁺	silicon monocarbide cation	sic+
260	Si₂	Silicon diatomic	si2
261	Si₂^-	silcon diatomic anion	si2-
262	Si₂⁺	silcon diatomic cation	si2+
263	Ge₂	Germanium diatomic	ge2
264	C₂H	Ethynyl radical	c2h
265	C₂H⁺	Ethynyl cation	c2h+
266	ZnCH₂	Zinc methylene	znch2
267	C₂H₂	Acetylene	c2h2
268	CCH₂	vinylidene	vinylidene
269	H₂CC^-	vinylidene anion	h2cc-
270	HCCH^-	acetylene anion	c2h2-
271	CuCH₃	monomethyl copper	cuch3
272	ZnCH₃	Zinc monomethyl	znch3
273	CH₂BH	methyleneborane	ch2bh
274	C₂H₃	vinyl	c2h3
275	C₂H₃^-	vinyl anion	c2h3-
276	C₂H₄^-	Ethylene anion	c2h4-
277	C₂H₄⁺	Ethylene cation	c2h4+
278	CH₃CH	methylmethylene	ch3ch
279	CH₂SiH₂	silaethylene	ch2sih2
280	CH₃BH₂	methylborane	ch3bh2
281	C₂H₅	Ethyl radical	c2h5
282	C₂H₅^-	Ethyl anion	c2h5-
283	C₂H₅⁺	Ethyl cation	c2h5+
284	C₂H₆⁺	ethane cation	c2h6+
285	CH₃SiH₃	methyl silane	ch3sih3
286	GeH₃CH₃	methyl germane	geh3ch3
287	C₂H₇⁺	Ethane, protonated	c2h7+
288	LiN⁺	Lithium Nitride cation	lin+
289	BeN	Beryllium mononitride	ben
290	BeN^-	Beryllium mononitride anion	ben-
291	BeN⁺	Beryllium mononitride cation	ben+
292	BN^-	boron nitride anion	bn-
293	AlN^-	aluminum mononitride anion	aln-
294	AlN⁺	aluminum mononitride cation	aln+
295	BP	Boron monophosphide	bp
296	AlP	Aluminum monophosphide	alp
297	GaN	Gallium mononitride	gan
298	GaP	Gallium monophosphide	gap
299	BN	boron nitride	bn
300	BN⁺	boron nitride cation	bn+
301	AlN	Aluminum nitride	aln
302	CN^-	cyanide anion	cn-
303	CN⁺	Cyano cation	cn+
304	CP	Carbon monophosphide	cp
305	CP^-	carbon monophosphide anion	cp-
306	CP⁺	carbon monophosphide cation	cp+
307	SiN	Silicon nitride	sin
308	SiN^-	silicon mononitride anion	sin-
309	SiN⁺	silicon mononitride cation	sin+
310	SiP^-	Silicon monophosphide anion	sip-
311	SiP⁺	Silicon monophosphide cation	sip+
312	TiN	Titanium mononitride	tin
313	N₂⁺	diatomic nitrogen cation	n2+
314	PN^-	phosphorus nitride anion	pn-
315	PN⁺	phosphorus nitride cation	pn+
316	P₂	Phosphorus diatomic	p2
317	P₂^-	phosphorus diatomic anion	p2-
318	P₂⁺	phosphorus diatomic cation	p2+
319	AsN	Arsenic mononitride	asn
320	AsP	Arsenic monophosphide	asp
321	SbN	Antimony nitride	sbn
322	As₂	Arsenic diatomic	as2
323	HNB	hydrogen nitrogen boron	hnb
324	HNC	hydrogen isocyanide	hnc
325	HCN^-	Hydrogen cyanide anion	hcn-
326	HCN⁺	hydrogen cyanide cation	hcn+
327	HCP	Phosphaethyne	hcp
328	NNH	Dinitrogen monohydride	nnh
329	HPO	Hydrogen phosphorus oxide	hpo
330	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
331	HBNH	Boranimine	hbnh
332	CNH₂	Aminomethylidyne radical	cnh2
333	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
334	H₂CN	Dihydrogen cyanide radical	h2cn
335	H₂CN⁺	hydrocyanonium cation	h2cn+
336	HCNH	methyleneazane	hcnh
337	HCNH⁺	N-protonated HCN	hcnh+
338	N₂H₂	(E)-diazene	n2h2
339	N₂H₂	(Z)-Diazene	n2h2z
340	N₂H₂⁺	trans-diazene cation	n2h2+
341	CH₂PH	Phosphaethene	ch3p
342	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
343	N₂H₄	Hydrazine	n2h4
344	N₂H₄⁺	hydrazine cation	n2h4+
345	P₂H₄	Diphosphine	p2h4
346	CH₃NH₂⁺	methyl amine cation	ch3nh2+
347	CH₃PH₂	Methyl phosphine	ch3ph2
348	N₂H₅⁺	protonated hydrazine	n2h5+
349	BH₃NH₃	borane ammonia	bh3nh3
350	CH₃NH₃	methyl ammonium radical	ch3nh3
351	CH₃NH₃⁺	protonated methylamine	ch3nh3+
352	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
353	NH₃NH₃	Ammonia Dimer	nh3nh3
354	N₂H₇⁺	ammonia ammonium dimer	n2h7+
355	LiO	lithium oxide	lio
356	LiO^-	lithium oxide anion	lio-
357	LiO⁺	lithium oxide cation	lio+
358	LiS	Lithium monosulfide	lis
359	LiS⁺	Lithium sulfide cation	lis+
360	NaO	sodium monoxide	nao
361	NaO^-	sodium oxide anion	nao-
362	NaO⁺	sodium oxide cation	nao+
363	KO	Potassium monoxide	ko
364	KO⁺	Potassium monoxide cation	ko+
365	NaS	Sodium sulfide	nas
366	CuO	Copper Monoxide	cuo
367	BeO	beryllium oxide	beo
368	BeO^-	Beryllium monoxide anion	beo-
369	BeO⁺	Beryllium monoxide cation	beo+
370	BeS	beryllium sulfide	bes
371	MgO	magnesium oxide	mgo
372	MgO^-	magnesium oxide anion	mgo-
373	MgO⁺	magnesium oxide cation	mgo+
374	CaO	Calcium monoxide	cao
375	MgS	magnesium sulfide	mgs
376	MgS^-	magnesium sulfide anion	mgs-
377	MgS⁺	magnesium sulfide cation	mgs+
378	CaS	Calcium sulfide	cas
379	ZnO	zinc monoxide	zno
380	ZnS	Zinc sulfide	zns
381	BeS^-	Beryllium monosulfide anion	bes-
382	BeS⁺	Beryllium monosulfide cation	bes+
383	BO	boron monoxide	bo
384	BO^-	boron monoxide anion	bo-
385	AlO	Aluminum monoxide	alo
386	AlO^-	Aluminum monoxide anion	alo-
387	AlO⁺	aluminum monoxide cation	alo+
388	BS	boron sulfide	bs
389	BS^-	boron monosulfide anion	bs-
390	BS⁺	boron monosulfide cation	bs+
391	AlS	Aluminum sulfide	als
392	AlS^-	aluminum monosulfide anion	als-
393	AlS⁺	aluminum monosulfide cation	als+
394	ScO	Scandium monoxide	sco
395	BO⁺	boron monoxide cation	bo+
396	CS	carbon monosulfide	cs
397	CS^-	carbon monosulfide anion	cs-
398	CS⁺	carbon monosulfide cation	cs+
399	SiO^-	silicon monoxide anion	sio-
400	SiO⁺	silicon monoxide cation	sio+
401	SiS^-	silicon monosulfide anion	sis-
402	SiS⁺	silicon monosulfide cation	sis+
403	TiO	Titanium monoxide	tio
404	CSe^-	Carbon monoselenide anion	cse-
405	CSe⁺	Carbon monoselenide cation	cse+
406	GeO⁺	Germanium monoxide cation	geo+
407	GeS	Germanium monosulfide	ges
408	NO⁺	nitric oxide cation	no+
409	NS	Mononitrogen monosulfide	ns
410	NS^-	nitrogen sulfide anion	ns-
411	NS⁺	nitrogen sulfide cation	ns+
412	PO	Phosphorus monoxide	po
413	PO^-	phosphorus monoxide anion	po-
414	PO⁺	phosphorus monoxide cation	po+
415	PS^-	phosphorus monosulfide anion	ps-
416	PS⁺	phosphorus monosulfide cation	ps+
417	VO	Vanadium monoxide	vo
418	AsO	Arsenic monoxide	aso
419	NSe	Nitrogen monoselenide	nse
420	AsS	Arsenic monosulfide	ass
421	PSe	Phosphorus monoselenide	pse
422	AsSe	Arsenic monoselenide	asse
423	O₂⁺	diatomic oxygen cation	o2+
424	SO^-	sulfur monoxide anion	so-
425	S₂^-	sulfur diatomic anion	s2-
426	S₂⁺	sulfur diatomic cation	s2+
427	SeO^-	selenium monoxide anion	seo-
428	SeO⁺	selenium monoxide cation	seo+
429	SeS	Selenium monosulfide	ses
430	SeS^-	selenium monosulfide anion	ses-
431	SeS⁺	selenium monosulfide cation	ses+
432	TeO	Tellurium monoxide	teo
433	Se₂^-	selenium diatomic anion	se2-
434	Se₂⁺	selenium diatomic cation	se2+
435	Te₂	Tellurium diatomic	te2
436	LiOH	lithium hydroxide	lioh
437	NaOH	sodium hydroxide	naoh
438	KOH	Potassium hydroxide	koh
439	MgOH	magnesium hydroxide	mgoh
440	CaOH	Calcium monohydroxide	caoh
441	HBO	Boron hydride oxide	hbo
442	COH⁺	Carbon Monoxide, protonated	coh+
443	HCO^-	formyl anion	hco-
444	HCS	Thioformyl radical	hcs
445	HCS^-	Thioformyl anion	hcs-
446	HCS⁺	Thioformyl cation	hcs+
447	HNO^-	Nitrosyl hydride anion	hno-
448	NOH	Hydroxyimidogen	noh
449	NOH⁺	O-protonated nitric oxide	noh+
450	HNS	Sulfur imide	hns
451	HNS^-	Sulfur imide anion	hns-
452	HO₂	Hydroperoxy radical	ho2
453	HO₂^-	Hydroperoxy anion	ho2-
454	HO₂⁺	Hydroperoxy cation	ho2+
455	HS₂	Thiosulfeno radical	hs2
456	HOCH	hydroxycarbene	hoch
457	H₂CS^-	thioformaldehyde anion	h2cs-
458	H₂CS⁺	thioformaldehyde cation	h2cs+
459	H₂NO	nitroxide	h2no
460	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
461	H₂S₂	Disulfane	h2s2
462	H₂S₂⁺	hydrogen disulfide cation	h2s2+
463	CH₂OH	Hydroxymethyl radical	ch2oh
464	CH₂OH⁺	hydroxymethyl cation	ch2oh+
465	CH₃O	Methoxy radical	ch3o
466	CH₃O^-	methoxy anion	ch3o-
467	CH₃O⁺	Methoxy cation	ch3o+
468	CH₃S	thiomethoxy	ch3s
469	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
470	NH₃O	Ammonia Oxide	nh3o
471	H₂POH	Phosphinous acid	h2poh
472	H₃PO	Phosphine oxide	h3po
473	NH₂SH	Thiohydroxylamine	nh2sh
474	NH₃S	sulfidoazane	nh3s
475	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
476	CH₃OH^-	Methyl alcohol anion	ch3oh-
477	CH₃SH	Methanethiol	ch3sh
478	CH₃SH⁺	Methanethiol cation	ch3sh+
479	CH₃SeH	Methane selenol	ch3seh
480	H₂OH₂O	water dimer	h2oh2o
481	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
482	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
483	H₂ONH₃	Water Ammonia Dimer	h2onh3
484	H₅O₂⁺	Dihydroxonium ion	h5o2+
485	LiCl^-	lithium chloride anion	licl-
486	LiCl⁺	lithium chloride cation	licl+
487	NaF	sodium fluoride	naf
488	NaF^-	sodium fluoride anion	naf-
489	KF	Potassium Fluoride	kf
490	NaCl	Sodium Chloride	nacl
491	NaCl^-	sodium chloride anion	nacl-
492	NaCl⁺	sodium chloride cation	nacl+
493	KCl	Potassium Chloride	kcl
494	CuF	Copper monofluoride	cuf
495	LiBr^-	lithium bromide anion	libr-
496	LiBr⁺	lithium bromide cation	libr+
497	CuCl	Copper monochloride	cucl
498	NaBr	Sodium Bromide	nabr
499	NaBr^-	sodium bromide anion	nabr-
500	NaBr⁺	sodium bromide cation	nabr+
501	KBr	Potassium Bromide	kbr
502	LiI	Lithium Iodide	lii
503	NaI	Sodium Iodide	nai
504	KI	Potassium Iodide	ki
505	LiF^-	lithium fluoride anion	lif-
506	BeF	Beryllium monofluoride	bef
507	BeF^-	Beryllium monofluoride anion	bef-
508	BeF⁺	Beryllium monofluoride cation	bef+
509	BeCl	beryllium monochloride	becl
510	MgF	Magnesium monofluoride	mgf
511	MgF^-	magnesium fluoride anion	mgf-
512	MgF⁺	magnesium fluoride cation	mgf+
513	CaF	Calcium monofluoride	caf
514	MgCl	magnesium monochloride	mgcl
515	MgCl^-	magnesium monochloride anion	mgcl-
516	MgCl⁺	magnesium monochloride cation	mgcl+
517	CaCl	calcium monochloride	cacl
518	TiCl	Titanium Monochloride	ticl
519	ZnF	Zinc monofluoride	znf
520	ZnF^-	Zinc monofluoride anion	znf-
521	ZnF⁺	Zinc monofluoride cation	znf+
522	ZnCl	Zinc monochloride	zncl
523	CaBr	Calcium monobromide	cabr
524	BeCl^-	beryllium monochloride anion	becl-
525	BeCl⁺	beryllium monochloride cation	becl+
526	BF^-	Boron monofluoride anion	bf-
527	BF⁺	Boron monofluoride cation	bf+
528	AlF^-	Aluminum monofluoride anion	alf-
529	AlF⁺	Aluminum monofluoride cation	alf+
530	BCl	boron monochloride	bcl
531	BCl^-	boron monochloride anion	bcl-
532	BCl⁺	boron monochloride cation	bcl+
533	AlCl	Aluminum monochloride	alcl
534	AlCl^-	aluminum monochloride anion	alcl-
535	AlCl⁺	aluminum monochloride cation	alcl+
536	ScF	Scandium monofluoride	scf
537	BBr	Boron monobromide	bbr
538	GaF⁺	Gallium monofluoride cation	gaf+
539	GaCl⁺	Gallium monochloride cation	gacl+
540	AlI	Aluminum monoiodide	ali
541	CF^-	carbon monofluoride anion	cf-
542	CF⁺	carbon monofluoride cation	cf+
543	CCl	carbon monochloride	ccl
544	CCl^-	carbon monochloride anion	ccl-
545	CCl⁺	carbon monochloride cation	ccl+
546	SiF	silicon monofluoride	sif
547	SiF^-	silicon monofluoride anion	sif-
548	SiF⁺	silicon monofluoride cation	sif+
549	SiCl^-	silicon monochloride anion	sicl-
550	SiCl⁺	silicon monochloride cation	sicl+
551	CBr	Carbon monobromide	cbr
552	GeF⁺	Germanium monofluoride cation	gef+
553	SiBr	Silicon monobromide	sibr
554	NF	nitrogen fluoride	nf
555	NF^-	nitrogen monofluorine anion	nf-
556	NF⁺	nitrogen monofluoirde cation	nf+
557	NCl	nitrogen monochloride	ncl
558	NCl^-	nitrogen monochloride anion	ncl-
559	NCl⁺	nitrogen monochloride cation	ncl+
560	PF	phosphorus monofluoride	pf
561	PF^-	phosphorus monofluoride anion	pf-
562	PF⁺	phosphorus monofluoride cation	pf+
563	PCl	phosphorus chloride	pcl
564	PCl^-	phosphorus monochloride anion	pcl-
565	PCl⁺	phosphorus monochloride cation	pcl+
566	AsF	Arsenic monofluoride	asf
567	NBr	nitrogen monobromide	nbr
568	AsCl	Arsenic monochloride	ascl
569	SbF	Antimony monofluoride	sbf
570	SbCl	Antimony monochloride	sbcl
571	FO	Oxygen monofluoride	fo
572	FO^-	flourine oxide anion	fo-
573	FO⁺	fluorine monoxide cation	fo+
574	ClO^-	chlorine monoxide anion	clo-
575	SF^-	sulfur monofluoride anion	sf-
576	SCl	sulfur monochloride	scl
577	SCl^-	sulfur monochloride anion	scl-
578	BrO^-	Bromine monoxide anion	bro-
579	SeF	Selenium monofluoride	sef
580	SeCl	Selenium monochloride	secl
581	IO	Iodine monoxide	io
582	ClF	Chlorine monofluoride	clf
583	ClF^-	clorine monofluoride anion	clf-
584	Cl₂^-	chlorine diatomic anion	cl2-
585	BrF^-	bromine fluoride anion	brf-
586	BrF⁺	bromine fluoride cation	brf+
587	BrCl^-	bromine chloride anion	brcl-
588	BrCl⁺	bromine chloride cation	brcl+
589	IF	Iodine monofluoride	if
590	ICl	Iodine monochloride	icl
591	IBr	Iodine monobromide	ibr
592	I₂	Iodine diatomic	i2
593	I₂⁺	Iodine diatomic cation	i2+
594	HCCl	Chloromethylene	hccl
595	CHBr	bromomethylene	chbr
596	DOCl	Hypochlorous acid-d	docl
597	HOBr	Hypobromous acid	hobr
598	HOBr⁺	Hypobromous acid cation	hobr+
599	HOI	Hypoiodous acid	hoi
600	F₂H⁺	Fluorine, protonated	f2h+
601	FHF	Hydrogen difluoride	fhf
602	FHF^-	Hydrogen difluoride anion	fhf-
603	Cl₂H⁺	Chlorine, protonated	cl2h+
604	CH₂F	fluoromethyl radical	ch2f
605	NH₂F	monofluoroamine	nh2f
606	H₂F₂	Hydrogen fluoride dimer	h2f2
607	CD₃F	methylfluoride-d3	cd3f
608	CD₃Cl	methyl chloride d3	cd3cl
609	CH₃Cl⁺	Methyl chloride cation	ch3cl+
610	SiH₃Br	bromosilane	sih3br
611	CH₃I	methyl iodide	ch3i
612	SiH₃I	Silyl Iodide	sih3i
613	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
614	LiNe⁺	Lithium Neon cation	line+
615	Ne₂	Neon diatomic	ne2
616	Ne₂⁺	Neon diatomic cation	ne2+
617	Ar₂⁺	Argon diatomic cation	ar2+
618	Li₃	Lithium trimer	li3
619	Li₃⁺	Lithium trimer cation	li3+
620	C₃	carbon trimer	c3
621	C₃⁺	carbon trimer cation	c3+
622	C₃H₃	cyclopropenyl radical	cpr
623	C₃H₃	Propargyl radical	propargyl
624	C₃H₃^-	Propargyl anion	c3h3-
625	C₃H₃⁺	cyclopropenyl cation	cpr+
626	C₃H₃⁺	Propargyl cation	c3h3+
627	C₃H₅	Allyl radical	allyl
628	C₃H₅⁺	Allyl cation	allyl+
629	CH₃CHCH	1-propenyl radical	ch3chch
630	Zn(CH₃)₂	dimethyl zinc	dmz
631	C₃H₆	Cyclopropane	c3h6
632	C₃H₇⁺	cyclopropane, protonated	c3h7+
633	CH₃CHCH₃	Isopropyl radical	isopropyl
634	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
635	C₃H₈	Propane	propane
636	SiH₂(CH₃)₂	dimethylsilane	dms
637	LiCN	lithium cyanide	licn
638	NaCN	Sodium Cyanide	nacn
639	KCN	Potassium cyanide	kcn
640	CuCN	Copper cyanide	cucn
641	ZnCN	Zinc monocyanide	zncn
642	ZnNC	Zinc isocyanide	znnc
643	CN₂	3H-Diazirin-3-ylidene	cn2
644	NCN	Cyanoimidogen	ncn
645	N₃	azide radical	n3
646	N₃^-	azide anion	n3-
647	N₃⁺	azide cation	n3+
648	HCCN	cyanomethylene	hccn
649	HCNN	diazomethyl radical	hcnn
650	CH₂N₂	diazirine	ch2n2
651	CH₂NN	diazomethane	ch2nn
652	NH₂CN	cyanamide	cyanamide
653	CH₃CN⁺	Acetonitrile cation	ch3cn+
654	CH₃NC	methyl isocyanide	ch3nc
655	CHNCH₂	2H-Azirine	c157164
656	CHNHCH	1H-Azirine	chnhch
657	H₂CCNH	Ethenimine	ch2cnh
658	H₂CNCH	methyleneaminomethylene	ch2nch
659	HCCNH₂	Ethynamine	hccnh2
660	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
661	NCNH₃⁺	Cyanamide, protonated	ncnh3+
662	CH₂CHNH	vinylazine	ch2chnh
663	CH₃CHN	methylmethaniminyl radical	ch3chn
664	NHCHNH₂	aminomethanimine	cn2h4
665	C₂H₅N	Aziridine	c2h5n
666	CH₂CHNH₂	aminoethene	aminoethene
667	CH₂NCH₃	N-methylmethanimine	nmm
668	CH₃CHNH	ethanimine	ethanimine
669	NH₂BHNH₂	diaminoborane	nh2bhnh2
670	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
671	C₂H₆N⁺	aziridine, protonated	c2h6n+
672	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
673	CH₃CH₂NH₂	Ethylamine	etam
674	CH₃NHCH₃	Dimethylamine	ch3nhch3
675	CH₃PHCH₃	dimethylphosphine	ch3phch3
676	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
677	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
678	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
679	Li₂O	dilithium oxide	li2o
680	Li₂O⁺	dilithium oxide cation	li2o+
681	Li₂S	dilithium sulfide	li2s
682	Na₂O	disodium monoxide	na2o
683	CCO	Dicarbon monoxide	cco
684	CNO^-	fulminate	cno-
685	NCO	isocyanato radical	nco
686	NCO^-	cyanate	nco-
687	SCN	thiocyanato radical	scn
688	SCN^-	thiocyanide anion	scn-
689	BO₂	Boron dioxide	bo2
690	BO₂^-	Boron dioxide anion	bo2-
691	BO₂⁺	Boron dioxide cation	bo2+
692	N₂O^-	Nitrous oxide anion	n2o-
693	N₂O⁺	Nitrous oxide cation	n2o+
694	NNS	Nitrogen sulfide	nns
695	PPO	Phosphorus oxide phosphide	ppo
696	CO₂^-	Carbon dioxide anion	co2-
697	CO₂⁺	Carbon dioxide cation	co2+
698	OCS⁺	Carbonyl sulfide cation	cos+
699	SiO₂	silicon dioxide	sio2
700	CS₂^-	Carbon disulfide anion	cs2-
701	CS₂⁺	Carbon disulfide cation	cs2+
702	TiO₂	Titanium dioxide	tio2
703	SiS₂	Silicon disulfide	sis2
704	GeS₂	Germanium disulfide	ges2
705	CSe₂	Carbon diselenide	cse2
706	SCTe	Carbon sulfide Telluride	scte
707	NO₂	Nitrogen dioxide	no2
708	NO₂^-	Nitrogen dioxide anion	no2-
709	NO₂⁺	Nitrogen dioxide cation	no2+
710	PO₂	Phosphorus dioxide	po2
711	PO₂^-	Phosphorus dioxide anion	po2-
712	PO₂⁺	Phosphorus dioxide cation	po2+
713	AsO₂	Aresenic dioxide	aso2
714	O₃	Ozone	o3
715	O₃^-	Ozone anion	o3-
716	O₃⁺	Ozone cation	o3+
717	SO₂^-	Sulfur dioxide anion	so2-
718	SO₂⁺	Sulfur dioxide cation	so2+
719	S₃^-	Sulfur trimer anion	s3-
720	S₃⁺	Sulfur trimer cation	s3+
721	SeO₂⁺	Selenium dioxide cation	seo2+
722	TeO₂	Tellurium Dioxide	teo2
723	CS₂H⁺	Carbon disulfide, protonated	cs2h+
724	HNCO	Isocyanic acid	hnco
725	HOCN	cyanic acid	hocn
726	HNCS	Isothiocyanic acid	hncs
727	HSCN	thiocyanic acid	hscn
728	HCO₂^-	formate anion	hco2-
729	HNNO	nitrosoazane	hnno
730	HNNO⁺	Nitrous oxide, N-protonated	hnno+
731	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
732	HCOO	formate neutral radical	hcoo
733	HOCO⁺	Hydrocarboxyl cation	hoco+
734	HNO₂	Nitrous acid	hno2
735	HNO₂⁺	nitrous acid cation	hno2+
736	SO₂H⁺	protonated sulfur dioxide	so2h+
737	CH₂CO⁺	Ketene cation	ch2co+
738	HCCOH	ethynol	hccoh
739	Be(OH)₂	Beryllium hydroxide	beo2h2
740	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
741	NH₂NO	Nitrosamide	nh2no
742	CH₂O₂	Dioxirane	diox
743	H₂COO	Dioxymethyl radical	h2coo
744	H₂COO⁺	dioxymethyl cation	h2coo+
745	H₂O₃	Hydrogen trioxide	h2o3
746	HSSSH	trisulfane	hsssh
747	NaOCH₃	Sodium methoxide	naoch3
748	CH₂BOH	hydroxy(methylene)borane	ch2boh
749	CH₃BO	Borane, methyloxo-	ch3bo
750	CH₂CHO	Vinyloxy radical	ch2cho
751	CH₂COH⁺	ketene, protonated	ch2coh+
752	CH₃CO	Acetyl radical	ch3co
753	CH₃CO^-	Acetyl anion	ch3co-
754	CH₃CO⁺	acetyl cation	ch3co+
755	CH₂NOH	formaldoxime	ch2noh
756	CH₃NO	nitrosomethane	ch3no
757	CHONH₂	formamide	formamide
758	CNOH₃	1,2-oxaziridine	cnoh3
759	HOCHNH	hydroxymethylimine	hochnh
760	CHSNH₂	thioformamide	chsnh2
761	CH₂OOH	CH2OOH radical	ch2ooh
762	CH₃OO	methylperoxy radical	ch3oo
763	CH₃OO^-	methylperoxy anion	ch3oo-
764	CH₃OO⁺	methylperoxy cation	ch3oo+
765	CH₂CHOH	ethenol	ch2choh
766	CH₂CHSH	Ethenethiol	ch2chsh
767	H₂CONH₂⁺	protonated formamide	h2conh2+
768	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
769	CH₂(OH)₂	methanediol	ch2o2h2
770	CH₃OOH	Methyl peroxide	ch3ooh
771	H₂OH₂CO	water formaldehyde dimer	h2oh2co
772	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
773	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
774	CH₃CH₂O	Ethoxy radical	ethoxy
775	CH₃CHOH	1-hydroxy-ethyl radical	ch3choh
776	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
777	CH₃OCH₂	methoxymethyl radical	ch3och2
778	NH₂CH₂OH	aminomethanol	nh2ch2oh
779	CH₃CH₂OH	Ethanol	etoh
780	CH₃OCH₃	Dimethyl ether	meome
781	CH₃SCH₃⁺	dimethyl sulfide cation	mesme+
782	CH₃SeCH₃	dimethylselenide	dmse
783	CH₃OHH₂O	methanol water dimer	ch3ohh2o
784	H₂OCH₃OH	water methanol dimer	h2och3oh
785	CuF₂	Copper difluoride	cuf2
786	ZnF₂	Zinc difluoride	znf2
787	CNF	iso cyanogen fluoride	cnf
788	FCN	Cyanogen fluoride	fcn
789	ClCN	chlorocyanogen	clcn
790	ICN	Cyanogen iodide	icn
791	BeF₂	Beryllium fluoride	bef2
792	MgF₂	Magnesium fluoride	mgf2
793	BeCl₂	Beryllium chloride	becl2
794	MgCl₂	Magnesium dichloride	mgcl2
795	CaCl₂	Calcium Chloride	cacl2
796	ZnCl₂	Zinc dichloride	zncl2
797	CaBr₂	Calcium dibromide	cabr2
798	CaF₂	Calcium difluoride	caf2
799	FCO	Carbonyl fluoride	fco
800	FCO⁺	Carbonyl fluoride cation	fco+
801	ClCO	carbonyl monochloride	clco
802	BF₂	Boron difluoride radical	bf2
803	FNS	Thionitrosyl fluoride	fns
804	FSN	Thiazyl fluoride	fsn
805	OPCl	Phosphorus oxychloride	opcl
806	BrNO	Nitrosyl bromide	brno
807	INO	Nitrosyl iodide	ino
808	CF₂^-	Difluoromethylene anion	cf2-
809	CF₂⁺	Difluoromethylene cation	cf2+
810	CFCl	chlorofluoromethylene	cfcl
811	SiF₂⁺	Silicon difluoride cation	sif2+
812	CCl₂	dichloromethylene	ccl2
813	CCl₂^-	dichloromethylene anion	ccl2-
814	CCl₂⁺	dichloromethylene cation	ccl2+
815	SiCl₂	Dichlorosilylene	sicl2
816	GeF₂	Germanium difluoride	gef2
817	CBr₂	dibromomethylene	cbr2
818	FOO	Dioxygen monofluoride radical	foo
819	ClOO	chloroperoxy radical	cloo
820	ClOO⁺	chloroperoxy cation	cloo+
821	OClO^-	Chlorine dioxide anion	oclo-
822	OClO⁺	Chlorine dioxide cation	oclo+
823	ClSO	Sulfur chloride oxide	clso
824	ClS₂	Sulfur chloride	cls2
825	NF₂	Difluoroamino radical	nf2
826	NF₂⁺	Difluoroamino cation	nf2+
827	FClO	chlorosyl fluoride	fclo
828	F₂O	Difluorine monoxide	f2o
829	ClOF	Chlorine hypofluorite	clof
830	SF₂^-	sulfur difluoride anion	sf2-
831	SF₂⁺	sulfur difluoride cation	sf2+
832	Cl₂O	Dichlorine monoxide	cl2o
833	SCl₂	Sulfur dichloride	scl2
834	BrOCl	Bromine hypochlorite	brocl
835	BrOBr	Bromine oxide	brobr
836	F₃^-	trifluoride anion	f3-
837	Cl₃^-	trichloride anion	cl3-
838	I₃^-	triiodide	i3-
839	HCCF⁺	fluoroacetylene cation	hccf+
840	HCCCl	Chloroacetylene	hcccl
841	HCCBr	bromoacetylene	hccbr
842	HFCO	formyl fluoride	hfco
843	HFCO⁺	formyl fluoride cation	hfco+
844	COHCl	Formyl chloride	cohcl
845	COHBr	Formyl bromide	cohbr
846	BHF₂	Difluoroborane	bhf2
847	BHCl₂	Borane, dichloro-	bhcl2
848	CHCl₂	dichloromethyl radical	chcl2
849	CHBr₂	dibromomethyl radical	chbr2
850	HOClO	Chlorous acid	hoclo
851	CH₂FCl	fluorochloromethane	ch2fcl
852	CH₂BrF	Methane, bromofluoro-	ch2fbr
853	CH₂BrCl	Methane, bromochloro-	ch2clbr
854	CH₂FI	fluoroiodomethane	ch2fi
855	CH₂ClI	chloroiodomethane	ch2cli
856	CH₂BrI	bromoiodomethane	ch2bri
857	CH₂I₂	Diiodomethane	ch2i2
858	SiH₂Cl₂	dichlorosilane	sih2cl2
859	CH₂CHF⁺	fluoroethene cation	ch2chf+
860	C₂H₃Cl	Ethene, chloro-	ch2chcl
861	C₂H₃Br	vinyl bromide	c2h3br
862	C₂H₃I	Vinyl iodide	c2h3i
863	CH₃OCl	methyl hypochlorite	ch3ocl
864	CH₂CH₂Cl	2-chloroethyl radical	ch2ch2cl
865	CHClCH₃	1-chloroethyl radical	chclch3
866	C₂H₅F	fluoroethane	c2h5f
867	CH₃CH₂Cl	Ethyl chloride	c2h5cl
868	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
869	C₂H₅Br	Ethyl bromide	etbr
870	C₂H₅I	Ethyl iodide	c2h5i
871	KrF₂	Krypton difluoride	krf2
872	XeF₂	Xenon difluoride	xef2
873	B₄H₁₀	Tetraborane(10)	b4h10
874	C₄⁺	Carbon tetramer cation	c4+
875	C₄H₂	Diacetylene	c4h2
876	C₂H₃CCH	1-Buten-3-yne	c2h3cch
877	C₄H₄	cyclobutadiene	cbd
878	H₂CCCCH₂	Butatriene	h2cccch2
879	C₄H₆	Cyclobutene	c822355
880	C₄H₆	Methylenecyclopropane	c6142730
881	CH₂CCHCH₃	1,2-Butadiene	butad12
882	CH₂CHCHCH₂	1,3-Butadiene	c106990
883	CH₃CCCH₃	2-Butyne	c503173
884	CHCCH₂CH₃	1-Butyne	c107006
885	CH₃CHCHCH₂	methylallyl radical	c4h7
886	C₄H₈	methylcyclopropane	mcp
887	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
888	CH₂CHCH₂CH₃	1-Butene	bute1
889	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
890	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
891	B(CH₃)₃	trimethylborane	bme3
892	Al(CH₃)₃	trimethyl aluminum	tma
893	C(CH₃)₃	Tert-butyl radical	tbutyl
894	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
895	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
896	CH₃CH(CH₃)CH₃	Isobutane	isobutane
897	CH₃CH₂CH₂CH₃	Butane	butane
898	SiH(CH₃)₃	trimethylsilane	trimsi
899	Li₃N	trilithium nitride	li3n
900	C₂N₂	Cyanogen	c2n2
901	C₂N₂⁺	Cyanogen cation	c2n2+
902	P₄	Phosphorus tetramer	p4
903	As₄	Arsenic tetramer	as4
904	HCCCN	Cyanoacetylene	hcccn
905	HCCCN⁺	Cyanoacetylene cation	hcccn+
906	C₃H₃N	acrylonitrile	ch2chcn
907	C₃H₃N⁺	acrylonitrile cation	ch2chcn+
908	CH₃N₃	methyl azide	ch3n3
909	NH₂CCNH₂	Diaminoacetylene	daa
910	NH₂CH₂CN	Aminoacetonitrile	aan
911	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
912	C₂H₅CN	ethyl cyanide	c2h5cn
913	CH₅N₃	Guanidine	guanidine
914	C₄H₆	Bicyclo[1.1.0]butane	c157335
915	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
916	CH₆N₃⁺	guanidinium	ch6n3+
917	C₃H₇N	Cyclopropylamine	cpram
918	CH₇N₃	triaminomethane	tam
919	C₃H₇N	Azetidine	azet
920	C₄H₈	cyclobutane	cbutane
921	C₂H₈N₂	Ethylenediamine	ethdiam
922	CH₃NHNHCH₃	dimethyl hydrazine	dmh
923	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
924	N(CH₃)₃	Trimethylamine	trimeam
925	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
926	P(CH₃)₃	trimethylphosphine	tmp
927	N(SiH₃)₃	trisilylamine	tsa
928	As(CH₃)₃	trimethyl arsine	tmas
929	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
930	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
931	Li₂O₂	dilithium dioxide	li2o2
932	Na₂O₂	disodium dioxide	na2o2
933	K₂O₂	dipotassium dioxide	k2o2
934	C₃O	Tricarbon monoxide	c3o
935	B₂O₂	Diboron dioxide	b2o2
936	S₂N₂	Disulfur dinitride	s2n2
937	CO₃	Carbon trioxide	co3
938	CO₃^--	carbonate	co3--
939	CS₃^--	Carbonotrithioate	cs3--
940	NO₃	Nitrogen trioxide	no3
941	NO₃^-	nitrate anion	no3-
942	NO₃⁺	nitrogen trioxide cation	no3+
943	SO₃^-	Sulfur trioxide anion	so3-
944	SO₃⁺	Sulfur trioxide cation	so3+
945	SeO₃	selenium trioxide	seo3
946	TeO₃	Tellurium trioxide	teo3
947	HCO₃^-	bicarbonate anion	hco3-
948	HSO₃	Hydroxysulfonyl radical	hso3
949	NH₂NO₂	nitramide	nh2no2
950	C₂H₂CO	cyclopropenone	c2h2co
951	HCCCHO	2-propynal	hcccho
952	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
953	H₂CO₃	Carbonic acid	h2co3
954	H₂CS₃	thiocarbonic acid	h2cs3
955	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
956	H₂SO₃	Sulfurous acid	h2so3
957	C₂H₃NO	Nitrosoethylene	c2h3no
958	HOCH₂CN	cyanomethanol	hoch2cn
959	CH₃COO^-	acetate anion	ch3coo-
960	CH₃NO₂	Methane, nitro-	ch3no2
961	CH₃ONO	Methyl nitrite	ch3ono
962	NH₂COOH	Carbamic acid	nh2cooh
963	H₃BO₃	Boric acid	h3bo3
964	H₃CO₃⁺	carbonic acid, protonated	h3co3+
965	C₃H₄O	2-Propyn-1-ol	c107197
966	C₃H₄O	allenol	c9000071
967	C₃H₄O	Cyclopropanone	cpone
968	C₃H₄O	Methylketene	c6004440
969	NH₂CONH₂	Urea	urea
970	NH₂CONH₂⁺	Urea cation	urea+
971	NH₂CSNH₂	Thiourea	thiourea
972	C₂H₄O₂	1,3-dioxetane	c2h4o2
973	CH₃COOH	Acetic acid	ch3cooh
974	CH₃OCHO	methyl formate	ch3ocho
975	CHOCH₂OH	hydroxy acetaldehyde	haa
976	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
977	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
978	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
979	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
980	HCOOHH₂O	Formic acid water dimer	hcoohh2o
981	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
982	CH₃COCH₂	Acetonyl radical	ch3coch2
983	CH₃CHNOH	Acetaldoxime	acetaldoxime
984	CH₃CONH₂	Acetamide	acetamide
985	HCONHCH₃	N-methylformamide	nmfa
986	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
987	H₂NCOHNH₂⁺	urea, protonated	ureah+
988	C₂H₅OO	ethylperoxy radical	c2h5oo
989	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
990	C₃H₅OH	Cyclopropanol	cproh
991	C₃H₆O	2-Propen-1-ol	c107186
992	C₃H₆O	Acetone enol	enol
993	C₃H₆O	Oxetane	oxetane
994	C₃H₆O	Propylene oxide	prox
995	CH₃COCH₃	Acetone	acetone
996	CH₃COCH₃^-	acetone anion	ch3coch3-
997	C₃H₆S	Thietane	thietane
998	C₃H₆S	Thiirane, methyl-	methiirane
999	CH₃CSCH₃	Thioacetone	ch3csch3
1000	C₂H₆O₂	1,2-Ethanediol	ethdiol
1001	CH₃OOCH₃	dimethylperoxide	dmp
1002	CH₃SOCH₃	Dimethyl sulfoxide	dmso
1003	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
1004	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
1005	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
1006	HOCH₂CH₂NH₂	monoethanolamine	mea
1007	C₃H₇OH	1-Propanol	proh
1008	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
1009	CH₃OC₂H₅	Ethane, methoxy-	etome
1010	C₃H₇SH	1-Propanethiol	prsh
1011	CH₃CHSHCH₃	2-Propanethiol	isoprsh
1012	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
1013	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
1014	Na₂F₂	Sodium Fluoride Dimer	na2f2
1015	Na₂Cl₂	Disodium dichloride	na2cl2
1016	C₂F₂	difluoroacetylene	c2f2
1017	C₂Cl₂	dichloroacetylene	c2cl2
1018	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
1019	FNO₂	Nitryl fluoride	fno2
1020	FONO	Nitrosyl hypofluorite	fono
1021	ClNO₂	Nitryl chloride	clno2
1022	ClONO	chlorine nitrite	clono
1023	BrONO	Bromine nitrite	brono
1024	N₂F₂	(Z)-Difluorodiazene	n2f2_z
1025	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
1026	COFCl	Carbonic chloride fluoride	cofcl
1027	CCl₂O	Phosgene	cl2co
1028	Cl₂CS	Thiophosgene	cl2cs
1029	COBr₂	Carbonic dibromide	cobr2
1030	BF₃	Borane, trifluoro-	bf3
1031	BF₃^-	Borane, trifluoro- anion	bf3-
1032	AlF₃	Aluminum trifluoride	alf3
1033	BClF₂	Chlorodifluoroborane	bclf2
1034	AlF₂Cl	Aluminum chloride difluoride	alclf2
1035	ScF₃	Scandium trifluoride	ScF3
1036	AlFCl₂	Aluminum dichloride fluoride	alcl2f
1037	AlCl₃	Aluminum trichloride	alcl3
1038	GaCl₃	Gallium trichloride	gacl3
1039	BBr₃	Boron tribromide	bbr3
1040	AlBr₃	Aluminum Bromide	albr3
1041	ClO₃	Chlorine trioxide	clo3
1042	ClO₃^-	chlorate anion	clo3-
1043	BrO₃^-	Bromate anion	bro3-
1044	CF₃	Trifluoromethyl radical	cf3
1045	CF₃^-	Trifluoromethyl anion	cf3-
1046	CF₃⁺	Trifluoromethyl cation	cf3+
1047	SiF₃	Silicon trifluoride radical	sif3
1048	SiF₃⁺	Silicon trifluoride cation	sif3+
1049	CCl₃	Trichloromethyl radical	ccl3
1050	CCl₃^-	Trichloromethyl anion	ccl3-
1051	CCl₃⁺	Trichloromethyl cation	ccl3+
1052	SiCl₃	trichlorosilyl radical	sicl3
1053	SiCl₃⁺	trichlorosilyl cation	sicl3+
1054	CBr₃	tribromomethyl radical	cbr3
1055	FOOF	Perfluoroperoxide	foof
1056	ClO₂F	Chloryl fluoride	clo2f
1057	F₂SO	Thionyl Fluoride	f2so
1058	ClOOCl	Dichlorine dioxide	cloocl
1059	FSSF	Difluorodisulfane	fssf
1060	S₂F₂	Thio-thionyl fluoride	s2f2
1061	SOCl₂	thionyl chloride	socl2
1062	SeOCl₂	selenium oxychloride	seocl2
1063	NF₃^-	Nitrogen trifluoride anion	nf3-
1064	NF₃⁺	Nitrogen trifluoride cation	nf3+
1065	PF₃	Phosphorus trifluoride	pf3
1066	NCl₃	nitrogen trichloride	ncl3
1067	AsF₃	Arsenic trifluoride	asf3
1068	PCl₃	Phosphorus trichloride	pcl3
1069	SbF₃	Antimony Trifluoride	sbf3
1070	AsCl₃	Arsenous trichloride	ascl3
1071	SbCl₃	Antimony Trichloride	sbcl3
1072	NBr₃	Nitrogen Tribromide	nbr3
1073	PBr₃	Phosphorus tribromide	pbr3
1074	AsBr₃	Arsenic tribromide	asbr3
1075	NI₃	Nitrogen triiodide	ni3
1076	PI₃	Phosphorus triiodide	pi3
1077	ClSSCl	Disulfur dichloride	s2cl2
1078	SF₃	Sulfur trifluoride	sf3
1079	ClF₃	Chlorine trifluoride	clf3
1080	BrF₃	Bromine trifluoride	brf3
1081	IF₃	iodone trifluoride	if3
1082	HClO₃	Chloric Acid	hclo3
1083	CHF₂Cl	difluorochloromethane	chf2cl
1084	CHFCl₂	fluorodichloromethane	chfcl2
1085	CDCl₃	trichloromethane-d	cdcl3
1086	CHCl₃	Chloroform	chcl3
1087	SiHCl₃	Trichlorosilane	sihcl3
1088	CHFClBr	fluorochlorobromomethane	chfclbr
1089	CHBrCl₂	Methane, bromodichloro-	chbrcl2
1090	CHF₂I	difluoroiodomethane	chf2i
1091	CHFClI	fluorochloroiodomethane	chfcli
1092	CHCl₂I	dichloroiodomethane	chcl2i
1093	CHClBr₂	Methane, dibromochloro-	chclbr2
1094	CHBr₃	bromoform	chbr3
1095	CHI₃	Iodoform	chi3
1096	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
1097	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
1098	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1099	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
1100	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
1101	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
1102	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1103	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1104	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
1105	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
1106	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
1107	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
1108	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1109	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1110	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
1111	CH₃COF	Acetyl fluoride	ch3cof
1112	CH₂ClCHO	chloroacetaldehyde	ch2clcho
1113	CH₃COCl	Acetyl Chloride	ch3cocl
1114	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
1115	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1116	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1117	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1118	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
1119	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
1120	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
1121	CH₂CFCH₃	2-fluoropropene	2fpro
1122	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
1123	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
1124	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
1125	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
1126	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
1127	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
1128	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
1129	CH₃CHFCH₃	2-Fluoropropane	prf2
1130	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
1131	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
1132	CH₃CH₂CH₂Br	n-propyl bromide	prbr
1133	CH₃CHBrCH₃	i-propyl bromide	iprbr
1134	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
1135	B₅H₉	pentaborane9	b5h9
1136	C₅H₅	cyclopentadienyl radical	c5h5
1137	C₅H₅^-	cylopentadienyl anion	c5h5-
1138	C₅H₆	1,3-Cyclopentadiene	c542927
1139	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
1140	C₅H₆	3-Penten-1-yne, (E)-	c2004695
1141	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
1142	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
1143	C₅H₆	Cyclopropylacetylene	c6746947
1144	C₅H₆	Propellane	propellane
1145	C₅H₇	1,3-pentadienyl radical	pdyl
1146	C₅H₇	cyclopentenyl radical	cpyl
1147	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
1148	C₅H₈	1,2-Pentadiene	c591957
1149	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
1150	C₅H₈	1,3-Pentadiene, (E)-	c2004708
1151	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
1152	C₅H₈	1,4-Pentadiene	c591935
1153	C₅H₈	1-pentyne	a1pentyne
1154	C₅H₈	2,3-Pentadiene	c591968
1155	C₅H₈	Bicyclo[1.1.1]pentane	bcp
1156	C₅H₈	Cyclobutane, methylene-	c1120565
1157	C₅H₈	Cyclopentene	c142290
1158	C₅H₈	Ethenylcyclopropane	c693867
1159	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
1160	C₅H₁₀	1-Butene, 2-methyl-	c563462
1161	C₅H₁₀	2-Butene, 2-methyl-	c513359
1162	C₅H₁₀	2-Pentene, (E)-	c646048
1163	C₅H₁₀	2-Pentene, (Z)-	c627203
1164	C₅H₁₀	Cyclopentane	c287923
1165	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
1166	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
1167	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
1168	C₅H₁₂	Butane, 2-methyl-	buta2
1169	C₅H₁₂	Pentane	pentane
1170	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
1171	Si(CH₃)₄	tetramethylsilane	tms
1172	N₂O₃	Dinitrogen trioxide	n2o3
1173	C₃H₂N₂	Malononitrile	c3h2n2
1174	CH₂N₄	1H-Tetrazole	1htz
1175	C₃H₃N₂	imidazolyl radical	im
1176	C₃H₃N₂^-	imidizolyl anion	im-
1177	C₂H₃N₃	1H-1,2,4-Triazole	c288880
1178	C₄H₄N	pyrrolide radical	c4h4n
1179	C₄H₄N^-	pyrrolide anion	c4h4n-
1180	C₃H₄N₂	1H-Imidazole	1himidaz
1181	C₃H₄N₂	1H-Pyrazole	1hpyraz
1182	C₃H₄N₂	2H-Imidazole	imid2h
1183	C₃H₄N₂	4H-Imidazole	imid4h
1184	C₄H₅N	(E)-2-Butenenitrile	c627269
1185	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1186	C₄H₅N	2H-pyrrole	pyrrole2
1187	C₄H₅N	3H-pyrrole	pyrrole3
1188	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1189	C₄H₅N	Pyrrole	pyrrole
1190	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1191	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1192	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1193	C₄H₆N⁺	pyrrole, protonated	ppyr
1194	C₃H₆N₂	3-Aminopropionitrile	c151188
1195	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1196	CH₃CH₂CH₂CN	Butanenitrile	c109740
1197	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1198	C₅H₈	Spiropentane	c157404
1199	C₄H₉N	Cyclobutylamine	cbam
1200	C₄H₉N	Pyrrolidine	pyrrolidine
1201	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1202	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1203	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1204	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1205	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1206	NH(C₂H₅)₂	diethylamine	dea
1207	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1208	C₃O₂⁺	Carbon suboxide cation	c3o2+
1209	MgCO₃	Magnesium Carbonate	mgco3
1210	BeCO₃	Beryllium Carbonate	beco3
1211	CaCO₃	Calcium Carbonate	caco3
1212	ONONO	Nitrosyl nitrite	onono
1213	PO₄^---	phosphate	po4---
1214	SO₄^--	sulfate	so4--
1215	HOONO₂	peroxy nitric acid	hoono2
1216	HSO₄^-	bisulfate anion	hso4-
1217	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1218	C₃H₂O₂	Propiolic acid	c3h2o2
1219	CHOCOOH	oxo acetic acid	oaa
1220	H₂SO₄	Sulfuric acid	h2so4
1221	H₂SeO₄	Selenic acid	h2seo4
1222	C₃H₃NO	Oxazole	oxazole
1223	C₃H₃NS	Thiazole	thiazole
1224	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1225	CH₃NO₃	Methyl nitrate	ch3no3
1226	H₃PO₄	Phosphoric Acid	h3po4
1227	C₄H₄O	Furan	furan
1228	C₄H₄O⁺	Furan cation	furan+
1229	CH₃COCCH	3-butyn-2-one	c1423605
1230	C₄H₄S	Thiophene	furans
1231	C₃H₄O₂	β–Propiolactone	beta
1232	C₃H₄O₂	2-Propenoic acid	propenoic2
1233	C₃H₄O₂	Methyl glyoxal	megly
1234	C₃H₄O₂	propanedial	propanedial
1235	C₃H₄O₂	propenalol	propenalol
1236	HOCHCCHOH	allenediol	aldiol
1237	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1238	C₂H₄O₃	trioxolane124	triox
1239	HOCH₂COOH	Hydroxyacetic acid	hac
1240	CH₂CHCONH₂	Acrylamide	c79061
1241	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1242	CH₅N₃S	Hydrazinecarbothioamide	c79196
1243	H₂NCH₂COOH	Glycine	glycine
1244	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1245	C₄H₆O	cis-2-butenal	butenal2c
1246	C₄H₆O	Cyclobutanone	cbutone
1247	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1248	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1249	CH₂CHOCHCH₂	Vinyl ether	vinylether
1250	CHOCHCHCH₃	2-Butenal	butenal2
1251	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1252	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1253	CH₂CHSCHCH₂	Divinyl sulfide	divis
1254	C₂H₆N₂O	Urea, methyl-	c598505
1255	C₃H₆O₂	1,3-Dioxolane	dioxolane
1256	CH₃CH₂COOH	Propanoic Acid	propanoic
1257	CH₃COOCH₃	methyl acetate	aame
1258	HCOOC₂H₅	Ethyl formate	faee
1259	C₂H₆O₂S	Dimethyl sulfone	c67710
1260	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1261	C₃H₇NO	dimethylformamide	dmf
1262	C₃H₇NO	Propanamide	propanam
1263	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1264	C₄H₈O	Cyclobutanol	c2919235
1265	C₄H₈O	Furan, tetrahydro-	thf
1266	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1267	CH₃COCH₂CH₃	2-Butanone	buta2one
1268	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1269	CHOCH₂CH₂CH₃	Butanal	butanal
1270	C₄H₈S	Thiophene, tetrahydro-	tht
1271	C₃H₈O₂	1,3-Propanediol	c504632
1272	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1273	C₃H₈O₂	Methane, dimethoxy-	c109875
1274	C₃H₈O₂	Propylene glycol	c57556
1275	C₃H₈S₂	1,3-Propanedithiol	c109808
1276	C₄H₁₀O	1-Butanol	butanol1
1277	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1278	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1279	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1280	C₄H₁₀O	Ethoxy ethane	etoet
1281	C₄H₁₀O	Methyl propyl ether	meopr
1282	C₄H₁₀O	Propane, 2-methoxy-	c598538
1283	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1284	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1285	C₂H₅SC₂H₅	Diethyl sulfide	etset
1286	C₄H₉SH	1-Butanethiol	bush
1287	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1288	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1289	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1290	FNO₃	Fluorine nitrate	fno3
1291	ClONO₂	Chlorine nitrate	clono2
1292	BrONO₂	Bromine nitrate	brono2
1293	TiCl₄	Titanium tetrachloride	ticl4
1294	ClO₄^-	perchlorate anion	clo4-
1295	BF₄^-	tetrafluoroboron anion	bf4-
1296	ClFO₃	Perchloryl fluoride	clfo3
1297	SO₂F₂	Sulfuryl fluoride	so2f2
1298	SO₂Cl₂	Sulfuryl chloride	so2cl2
1299	F₃NO	Nitrogen trifluoride oxide	f3no
1300	F₃PO	Phosphoryl fluoride	pf3o
1301	Cl₃PO	Phosphoryl chloride	pcl3o
1302	CF₄	Carbon tetrafluoride	cf4
1303	SiF₄	Silicon tetrafluoride	sif4
1304	TiF₄	Titanium tetrafluoride	tif4
1305	CFCl₃	Trichloromonofluoromethane	cfcl3
1306	CF₃Br	Bromotrifluoromethane	cf3br
1307	GeF₄	Germanium tetrafluoride	gef4
1308	CCl₄	Carbon tetrachloride	ccl4
1309	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1310	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1311	SiCl₄	Silane, tetrachloro-	sicl4
1312	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1313	CF₃I	trifluoroiodomethane	cf3i
1314	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1315	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1316	GeCl₄	Germanium Tetrachloride	gecl4
1317	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1318	CCl₃I	trichloroiodomethane	ccl3i
1319	CFBr₃	fluorotribromomethane	cfbr3
1320	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1321	CBr₃Cl	tribromochloromethane	cbr3cl
1322	CF₂I₂	difluorodiiodomethane	cf2i2
1323	CBr₄	Carbon tetrabromide	cbr4
1324	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1325	SiBr₄	Silicon tetrabromide	sibr4
1326	CBr₃I	tribromoiododmethane	cbr3i
1327	GeBr₄	Germanium tetrabromide	gebr4
1328	CI₄	tetraiodomethane	ci4
1329	SiI₄	silicon tetraiodide	sii4
1330	ClOF₃	Chlorine trifluoride oxide	clof3
1331	SF₄	Sulfur tetrafluoride	sf4
1332	SeF₄	Selenium tetrafluoride	sef4
1333	SCl₄	Sulfur tetrachloride	scl4
1334	C₂HF₃	Trifluoroethylene	c2hf3
1335	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
1336	CHClCCl₂	Trichloroethylene	chclccl2
1337	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1338	HClO₄	perchloric acid	hclo4
1339	HSO₃F	Fluorosulfonic acid	hso3f
1340	CF₃OH	trifluoromethanol	cf3oh
1341	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1342	CHClCCHCl	1,3-dichloroallene	chclcchcl
1343	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1344	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1345	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1346	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1347	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1348	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1349	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1350	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1351	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1352	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1353	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1354	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1355	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1356	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1357	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1358	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1359	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1360	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1361	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1362	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1363	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1364	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1365	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1366	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1367	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1368	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1369	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1370	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1371	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1372	C₄H₉F	1-fluorobutane	butaf1
1373	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1374	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1375	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1376	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1377	XeF₄	Xenon tetrafluoride	xef4
1378	C₂H₂N₂O	Furazan	furazan
1379	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1380	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1381	C₆H₂	hexatriyne	c6h2
1382	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1383	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1384	C₆H₄	Benzyne	benzyne
1385	C₆H₅	phenyl	phenyl
1386	C₆H₅^-	phenyl anion	phenyl-
1387	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1388	C₆H₆	2,4-Hexadiyne	hexadiyne
1389	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1390	C₆H₆	Benzene	benzene
1391	C₆H₆	Benzvalene	bv
1392	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1393	C₆H₆	Trimethylenecycopropane	tmcp
1394	C₆H₆⁺	Benzene cation	c6h6+
1395	C₆H₇⁺	benzene, protonated	c6h7+
1396	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1397	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1398	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1399	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1400	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1401	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1402	C₆H₈	3-Methylenecyclopentene	c930267
1403	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1404	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1405	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1406	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1407	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1408	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1409	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1410	C₆H₁₀	1,5-Hexadiene	c592427
1411	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1412	C₆H₁₀	1-Hexyne	hexyne1
1413	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1414	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1415	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1416	C₆H₁₀	2-Hexyne	c764352
1417	C₆H₁₀	3-Hexyne	hexyne3
1418	C₆H₁₀	cyclohexene	cyclohexene
1419	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1420	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1421	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1422	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1423	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1424	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1425	C₆H₁₂	(E)-2-Hexene	e2hexene
1426	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1427	C₆H₁₂	(E)-hex-3-ene	e3hexene
1428	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1429	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1430	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1431	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1432	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1433	C₆H₁₂	3-methylenepentane	c760214
1434	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1435	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1436	C₆H₁₂	Cyclohexane	cyclohexane
1437	C₆H₁₂	Cyclopentane, methyl-	c96377
1438	C₆H₁₂	Ethylcyclobutane	c4806615
1439	C₆H₁₂	hex-1-ene	hexene1
1440	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1441	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1442	C₆H₁₄	Hexane	hexane
1443	C₆H₁₄	Pentane, 2-methyl-	penta2
1444	C₆H₁₄	Pentane, 3-methyl-	penta3
1445	C₄N₂	2-Butynedinitrile	c4n2
1446	C₄H₂N₂	Fumaronitrile	c4h2n2
1447	C₂H₂N₄	sym-tetrazine	ttz
1448	C₃H₃N₃	1,3,5-Triazine	triazine135
1449	CH₃N₅	5-Aminotetrazole	c4418615
1450	C₄H₄N₂	1,3-Diazine	diazine13
1451	C₄H₄N₂	Pyrazine	pyrazine
1452	C₄H₄N₂	Pyridazine	pyridazine
1453	C₄H₄N₂	Succinonitrile	c110612
1454	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1455	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1456	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1457	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1458	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1459	C₅H₅N	Pyridine	pyridine
1460	B₃N₃H₆	borazine	borazine
1461	C₆H₆	Fulvene	fulvene
1462	C₅H₆N⁺	Pyridinium	c5h6n
1463	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1464	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1465	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1466	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1467	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1468	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1469	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1470	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1471	C₅H₉N	Pentanenitrile	c110598
1472	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1473	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1474	C₅H₁₁N	Cyclopentanamine	cypentam
1475	C₅H₁₁N	Piperidine	piper
1476	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1477	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1478	Li₂CO₃	Lithium Carbonate	li2co3
1479	Na₂CO₃	Sodium Carbonate	na2co3
1480	C₂O₄^--	oxalate anion	c2o4
1481	MgSO₄	Magnesium Sulfate	mgso4
1482	N₂O₄	Dinitrogen tetroxide	n2o4
1483	C₂H₂O₄	Oxalic Acid	oxalic
1484	C₂H₃NO₃	Oxamic acid	oxamic
1485	C₄H₄O₂	2(5H)-Furanone	furanone
1486	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1487	C₂H₄N₂O₂	Oxalamide	oxalamide
1488	C₂H₄N₂S₂	Ethanedithioamide	c79403
1489	C₂H₄CO₃	Ethylene carbonate	etco3
1490	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1491	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1492	C₂H₄O₄	Formic acid dimer	fadimer
1493	C₄H₅NO	3-Methylisoxazole	isox3m
1494	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1495	C₄H₅NS	4-Methylthiazole	c693958
1496	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1497	C₅H₆O	2H-Pyran	pyran2
1498	C₅H₆O	2-methylfuran	furan2m
1499	C₅H₆O	3-Methylfuran	furan3m
1500	C₅H₆O	Pentadienal	pdal
1501	C₅H₆S	Thiophene, 2-methyl-	c554143
1502	C₅H₆S	Thiophene, 3-methyl-	c616444
1503	C₄H₆O₂	γ–Butyrolactone	c96480
1504	C₄H₆O₂	2,3-Butanedione	c431038
1505	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1506	C₄H₆O₂	Crotonic Acid	crot
1507	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1508	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1509	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1510	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1511	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1512	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1513	C₄H₆OS	Vinyl sulfoxide	c1115157
1514	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1515	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1516	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1517	C₃H₆O₃	1,3,5-Trioxane	trioxane
1518	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1519	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1520	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1521	C₄H₇NO	2-Pyrrolidinone	c616455
1522	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1523	C₄H₇NO	Methacrylamide	c79390
1524	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1525	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1526	C₃H₇ONO	Propyl nitrite	prono
1527	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1528	CH₃CH(NH₂)COOH	Alanine	alanine
1529	CH₃NHCH₂COOH	Sarcosine	sarcosine
1530	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1531	NH₂COOC₂H₅	Urethane	urethane
1532	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1533	C₅H₈O	Cyclopentanone	c120923
1534	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1535	C₅H₈O	Methyl cyclopropyl ketone	c765435
1536	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1537	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1538	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1539	C₄H₈O₂	1,3-Dioxane	dioxan13
1540	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1541	C₄H₈O₂	1,4-Dioxane	dioxan14
1542	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1543	C₄H₈O₂	Ethyl acetate	c141786
1544	C₄H₈OS	s-Ethyl thioacetate	c625605
1545	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1546	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1547	C₄H₉NO	Butanamide	c541355
1548	C₄H₉NO	Propanamide, 2-methyl-	c563837
1549	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1550	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1551	C₅H₁₀O	2-methylbutyraldehyde	2meba
1552	C₅H₁₀O	2-Pentanone	mpk
1553	C₅H₁₀O	3-Pentanone	dek
1554	C₅H₁₀O	Cyclopentanol	c96413
1555	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1556	C₅H₁₀O	Pentanal	pal
1557	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1558	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1559	C₅H₁₀S	Cyclopentanethiol	c1679078
1560	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1561	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1562	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1563	C₄H₁₀O₂	1,3-Butanediol	budiol13
1564	C₄H₁₀O₂	1,4-Butanediol	budiol14
1565	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1566	C₄H₁₀OS	Diethyl sulfoxide	c70291
1567	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1568	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1569	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1570	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1571	C₅H₁₂O	1-Pentanol	pentanol1
1572	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1573	C₅H₁₂O	2-Pentanol	peol2
1574	C₅H₁₂O	3-Pentanol	pentan3ol
1575	C₅H₁₂O	Butane, 1-methoxy-	meobu
1576	C₅H₁₂O	Propane, 1-ethoxy-	proet
1577	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1578	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1579	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1580	C₅H₁₂S	1-Pentanethiol	c110667
1581	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1582	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1583	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1584	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1585	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1586	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1587	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1588	C₄F₂	difluorobutadiyne	c4f2
1589	ClCOClCO	Oxalyl chloride	oxcl
1590	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1591	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1592	B₂F₄	Diboron tetrafluoride	b2f4
1593	B₂Cl₄	Diboron tetrachloride	b2cl4
1594	C₂F₄	Tetrafluoroethylene	c2f4
1595	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1596	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1597	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1598	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1599	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1600	C₂FCl₃	fluorotrichloroethene	c2fcl3
1601	C₂Cl₄	Tetrachloroethylene	c2cl4
1602	C₂Br₄	tetrabromoethene	c2br4
1603	CF₃OF	Trifluoromethylhypofluorite	cf3of
1604	SiF₅^-	silicon pentafluoride anion	sif5-
1605	SOF₄	Sulfur tetrafluoride oxide	sof4
1606	AsF₅	Arsenic pentafluoride	asf5
1607	PCl₅	Phosphorus pentachloride	pcl5
1608	SF₅	Sulfur pentafluoride	sf5
1609	SF₅⁺	pentafluoro sulfur cation	sf5+
1610	SbCl₅	Antimony pentachloride	sbcl5
1611	BrF₅	bromine pentafluoride	brf5
1612	ClF₅	chlorinepentafluoride	clf5
1613	IF₅	pentafluoroiodine	if5
1614	CF₃CHO	trifluoroacetaldehyde	cf3cho
1615	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1616	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1617	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1618	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1619	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1620	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1621	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1622	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1623	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1624	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1625	CF₃COOH	trifluoroacetic acid	cf3cooh
1626	C₄H₃ClO	Furan, 2-chloro	fur2cl
1627	C₄H₃ClO	Furan,3-chloro	fur3cl
1628	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1629	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1630	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1631	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1632	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1633	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1634	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1635	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1636	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1637	C₄H₈O₂	Butanoic acid	bua
1638	C₆H₅CH₂	benzyl radical	benzyl
1639	C₇H₇	cycloheptatrienyl radical	c7h7
1640	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1641	C₆H₅CH₃	toluene	toluene
1642	C₇H₈	cycloheptatriene	cht
1643	C₇H₈	Norbornadiene	norbor
1644	C₇H₈	Quadricyclane	qucy
1645	C₇H₁₂	Norbornane	nor
1646	C₇H₁₄	cycloheptane	c7h14
1647	C₇H₁₆	2-methylhexane	2mhex
1648	C₇H₁₆	3-methylhexane	hex3m
1649	C₇H₁₆	heptane	heptane
1650	CH(CN)₃	tricyanomethane	mecn3
1651	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1652	C₆H₇N	2-Methylpyridine	mp
1653	C₆H₅NH₂	aniline	aniline
1654	C₆H₁₃N	2-Methylpiperidine	pip2m
1655	C₆H₁₃N	cyclohexanamine	cham
1656	C₆H₁₅N	triethylamine	tea
1657	N₂O₅	Dinitrogen pentoxide	n2o5
1658	C₄H₂O₃	Maleic Anhydride	malan
1659	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1660	C₅H₄O₂	furfural	furfural
1661	C₆H₅O	phenoxy radical	phenoxy
1662	C₅H₅NO	2(1H)-Pyridinone	c72762006
1663	C₅H₅NO	2(3H)-Pyridinone	c9000048
1664	C₅H₅NO	2(5H)-Pyridinone	c9000037
1665	C₅H₅NO	2-Pyridinol	c109104
1666	C₅H₅NO	3(2H)-Pyridinone	c9000004
1667	C₅H₅NO	3(4H)-Pyridinone	c9000026
1668	C₅H₅NO	3(6H)-Pyridinone	c9000015
1669	C₅H₅NO	3-Pyridinol	c109002
1670	C₅H₅NO	4(1H)-Pryidinone	c9000060
1671	C₅H₅NO	4(3H)-Pryidinone	c9000059
1672	C₅H₅NO	4-Pyridinol	c626642
1673	C₆H₅OH	phenol	phenol
1674	C₆H₆O	2,4-Cyclohexadienone	c24599573
1675	C₆H₆O	2,5-Cyclohexadienone	c5664335
1676	C₆H₅SH	Benzenethiol	phsh
1677	HO₂CCHNH₂CH₂OH	Serine	serine
1678	C₅H₈O₂	Acetylacetone	acac
1679	C₄H₈O₂S	Sulfolane	sulfolane
1680	C₇H₁₀	Norbornene	norbornene
1681	CH(C₂H₃)₃	trivinyl methane	tvm
1682	C₆H₁₀O	cyclohexanone	chexo
1683	C₆H₁₂O	hexanal	c6h12o
1684	C₆H₁₂O	Oxepane	oxepane
1685	C₃H₇OC₃H₇	di-n-propyl ether	propr
1686	F₂CCCF₂	tetrafluoroallene	pfa
1687	CF₃COO^-	trifluoro acetate anion	cf3coo-
1688	CF₃COF	trifluoroacetyl fluoride	cf3cof
1689	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1690	PF₆	Hexafluorophosphate neutral	pf6
1691	PF₆^-	Hexafluorophosphate ion	pf6-
1692	SeF₆	Selenium hexafluoride	sef6
1693	SF₅Cl	sulfur chloropentafluoride	sf5cl
1694	CF₃CHF₂	pentafluoroethane	cf3chf2
1695	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1696	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1697	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1698	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1699	C₆H₅F	Fluorobenzene	bzf
1700	C₆H₅Cl	chlorobenzene	bzcl
1701	C₆H₅Br	bromobenzene	bzbr
1702	C₈H₆	Calicene	calicene
1703	C₆H₅CCH	phenylacetylene	phac
1704	C₈H₆	benzocyclobutadiene	bcbd
1705	C₈H₆	Pentalene	pentalene
1706	C₆H₅CHCH₂	Styrene	styrene
1707	C₈H₈	cubane	cubane
1708	C₈H₈	cyclooctatetraene	cot
1709	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1710	CH₃C₆H₄CH₃	meta-xylene	mxylene
1711	CH₃C₆H₄CH₃	paraxylene	pxylene
1712	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1713	C₈H₁₆	cyclooctane	cyclooct
1714	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1715	C₈H₁₈	Octane	c8h18
1716	C₆H₅CN	phenyl cyanide	phcn
1717	C₆H₁₂N₂	Triethylenediamine	ted
1718	C₄O₄^--	squarate dianion	c4o4--
1719	S₄N₄	Tetrasulfur tetranitride	s4n4
1720	S₈	Octasulfur	s8
1721	C₆H₄O₂	parabenzoquinone	pbq
1722	C₄H₄N₂O₂	Uracil	uracil
1723	C₆H₅CHO	benzaldehyde	benzal
1724	C₆H₅OCH₃	Anisole	anisole
1725	C₅H₉NO₂	Proline	proline
1726	C₆H₁₂O₂	Methyl pivalate	c598981
1727	C₆H₁₂O₂	Hexanoic acid	hexa
1728	C₄F₄	tetrafluorcyclobutadiene	c4f4
1729	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1730	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1731	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1732	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1733	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1734	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1735	C₂F₆	hexafluoroethane	c2f6
1736	C₂Cl₆	hexachloroethane	c2cl6
1737	IF₇	Iodine heptafluoride	if7
1738	C₆H₄F₂	metadifluorobenzene	mdfb
1739	C₆H₄F₂	orthodifluorobenzene	odfb
1740	C₆H₄F₂	1,4-difluorobenzene	pdfb
1741	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1742	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1743	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1744	C₆H₅NO	nitrosobenzene	bzno
1745	C₉H₈	Indene	indene
1746	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1747	C₉H₁₂	n-propyl benzene	prbz
1748	C₉H₂₀	Nonane	nonane
1749	C(CN)₄	tetracyanomethane	c5n4
1750	C₅H₄N₄	purine	purine
1751	C₈H₇N	Indole	indole
1752	C₃H₃N₃O₃	cyanuric acid	cyanuric
1753	C₆H₅NO₂	Nitrobenzene	c6h5no2
1754	C₆H₅COOH	benzoic acid	benzo
1755	CH₃COC₆H₅	acetophenone	acph
1756	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1757	C₃F₆	hexafluoropropene	c3f6
1758	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1759	C₈H₁₈O	1-Octanol	octanol
1760	C₁₀H₈	Azulene	azu
1761	C₁₀H₈	naphthalene	naph
1762	C₁₀H₁₀	bullvalene	bullv
1763	C₁₀H₁₆	adamantane	adamantane
1764	C₆N₄	Tetracyanoethylene	tcne
1765	C₆N₄^-	tetracyanoethylene anion	tcne-
1766	C₁₀H₂₂	Decane	decane
1767	C₄F₆	perfluorobutadiene	c4f6
1768	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1769	C₃F₈	perfluoropropane	c3f8
1770	Fe(CO)₅	Iron pentacarbonyl	ipc
1771	Fe(C₅H₅)₂	ferrocene	fecp2
1772	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1773	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1774	C₁₂H₈	Acenaphthylene	acenaph
1775	C₁₂H₈	biphenylene	biph
1776	C₁₂H₁₀	biphenyl	biphenyl
1777	C₁₂H₁₀	Heptalene	heptalene
1778	C₆H₁₂O₆	Inositol	inositol
1779	C₆F₆	hexafluorobenzene	c6f6
1780	S₂F₁₀	disulphur decafluoride	s2f10
1781	C₁₃H₁₀	Fluorene	fluorene
1782	C₁₄H₁₀	Anthracene	anth
1783	C₁₄H₁₀	Phenanthrene	phenanthrene
1784	C₁₄H₁₄	Bibenzyl	bibenzyl
1785	C₁₂H₁₀N₂	azobenzene	azobenzene
1786	C₆H₅COC₆H₅	benzophenone	benzophenone
1787	C₁₆H₁₀	Pyrene	pyrene
1788	C₁₈H₁₂	Tetracene	tetracene
1789	C₁₉H₁₆	Triphenylmethane	tpm
1790	C₂₄H₁₂	Coronene	coronene
1791	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