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

List of which calculations are completed at QCISD /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	¹A₁	C_3v
47	AsH₃⁺	Arsine cation	²A₁	C_3v
48	AsH₄⁺	Arsonium
49	NH₄	Ammonium radical
50	PH₄	Phosphoranyl radical
51	O	Oxygen atom	³S	K_h
52	S	Sulfur atom	³P	K_h
53	S	Sulfur atom
54	S^-	Sulfur atom anion	²P	K_h
55	Se	Selenium atom	³P	K_h
56	Se^-	Selenium atom anion	²P	K_h
57	Se⁺	Selenium atom cation	⁴S	K_h
58	OH	Hydroxyl radical	²Π	C_∞v
59	OH^-	hydroxide anion	¹Σ	C_∞v
60	OH⁺	hydoxyl cation	³Σ	C_∞v
61	HSe	Selenium monohydride	²Π	C_∞v
62	HSe^-	selenium monohydride anion	¹Σ	C_∞v
63	HSe⁺	selenium monohydride cation	³Σ	C_∞v
64	H₂O	Water	¹A₁	C_2v
65	H₂O^-	water anion	²A₁	C_2v
66	H₂O^-	water anion	²A^'	C_s
67	H₂S	Hydrogen sulfide	¹A₁	C_2v
68	H₂Se	Hydrogen selenide	¹A₁	C_2v
69	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
70	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
71	F	Fluorine atom	²P	K_h
72	F^-	Fluorine atom anion	¹S	K_h
73	Cl	Chlorine atom	²P	K_h
74	Cl^-	Chlorine atom anion	¹S	K_h
75	Br	Bromine atom	²P	K_h
76	Br^-	Bromine atom anion	¹S	K_h
77	Br⁺	Bromine atom cation	³P	K_h
78	HF	Hydrogen fluoride	¹Σ	C_∞v
79	HF^-	hydrogen fluoride anion	²Σ	C_∞v
80	HF⁺	hydrogen fluoride cation	²Π	C_∞v
81	HCl	Hydrogen chloride	¹Σ	C_∞v
82	HCl^-	hydrogen chloride anion	²Σ	C_∞v
83	HCl⁺	hydrogen chloride cation	²Π	C_∞v
84	HBr	hydrogen bromide	¹Σ	C_∞v
85	HBr^-	hydrogen bromide anion	²Σ	C_∞v
86	HBr⁺	hydrogen bromide cation	²Π	C_∞v
87	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
88	Ne	Neon atom
89	HeLi⁺	Helium Lithium cation
90	ArH⁺	Argon hydride cation	¹Σ	C_∞v
91	NaLi	lithium sodium	¹Σ	C_∞v
92	Na₂	Sodium diatomic	¹Σ_g	D_∞h
93	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
94	LiAl	Lithium Aluminum
95	HBBH	Diborane(2)	³Σ_G	D_∞h
96	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
97	B₂H₆	Diborane	¹A_g	D_2h
98	B₂H₆⁺	Diborane cation
99	GeC	Germanium monocarbide	¹Σ	C_∞v
100	SiGe	Silicon Germanium
101	C₂H^-	Ethynyl anion	¹Σ	C_∞v
102	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
103	C₂H₂⁺	acetylene cation
104	Si₂H₂	disilyne
105	Si₂H₂	disilyne
106	Si₂H₂	disilyne
107	Si₂H₂	disilyne
108	CH₃Li	methyl lithium	¹A₁	C_3v
109	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
110	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
111	C₂H₄	Ethylene	¹A_g	D_2h
112	Si₂H₄	Disilene
113	Si₂H₄	Disilene
114	Si₂H₄	Disilene
115	C₂H₆	Ethane	¹A_1g	D_3d
116	Si₂H₆	disilane	¹E_u	D_3d
117	LiN	Lithium Nitride	³Σ	C_∞v
118	LiP	Lithium monophosphide
119	LiP	Lithium monophosphide
120	MgN	Magnesium Nitride
121	GaAs	Gallium arsenide	³Π
122	GaAs	Gallium arsenide	¹Σ
123	CN	Cyano radical	²Σ	C_∞v
124	SiP	Silicon monophosphide	²Π	C_∞v
125	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
126	N₂	Nitrogen diatomic
127	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
128	PN	Phosphorus mononitride	¹Σ	C_∞v
129	HCN	Hydrogen cyanide	¹Σ	C_∞v
130	HNC⁺	hydrogen isocyanide cation
131	HCP⁺	Phosphaethyne cation
132	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
133	LiNH₂	lithium amide
134	H₂NN	Isodiazene
135	CH₂NH	Methanimine	¹A^'	C_s
136	CH₂NH⁺	Methanimine cation
137	CHNH₂	aminomethylene
138	CHNH₂⁺	Aminocarbene cation
139	BH₂NH₂	Boranamine
140	CH₃NH₂	methyl amine	¹A^'	C_s
141	SiH₃NH₂	Silane, amino
142	BH₃PH₃	borane phosphine
143	LiSe	Lithium monoselenide
144	GaO	Gallium monoxide	²Σ	C_∞v
145	GaS	Gallium monosulfide
146	CO	Carbon monoxide	¹Σ	C_∞v
147	CO^-	carbon monoxide anion	²Π	C_∞v
148	CO⁺	carbon monoxide cation	²Σ	C_∞v
149	SiO	Silicon monoxide	¹Σ	C_∞v
150	SiS	silicon monosulfide	¹Σ	C_∞v
151	CSe	Carbon monoselenide	¹Σ	C_∞v
152	GeO	Germanium monoxide	¹Σ	C_∞v
153	SiSe	Silicon Monoselenide
154	SiSe⁺	Silicon Monoselenide cation
155	GeSe	Germanium monoselenide
156	NO	Nitric oxide	²Π	C_∞v
157	NO^-	nitric oxide anion	³Σ	C_∞v
158	PS	phosphorus sulfide	²Σ	C_∞v
159	O₂	Oxygen diatomic	³Σ_g	D_∞h
160	O₂^-	oxygen diatomic anion	²Π	D_∞h
161	O₂^--	dioxygen dianion
162	SO	Sulfur monoxide	³Σ	C_∞v
163	SO	Sulfur monoxide	¹Σ	C_∞v
164	SO⁺	sulfur monoxide cation	²Π	C_∞v
165	S₂	Sulfur diatomic	³Σ_g	D_∞h
166	SeO	Selenium monoxide	³Σ	C_∞v
167	Se₂	Selenium diatomic	³Σ_g	D_∞h
168	BeOH	beryllium monohydroxide	²A^'	C_s
169	HBS	hydrogen boron sulfide	¹Σ	C_∞v
170	COH	Hydroxymethylidyne
171	HCO	Formyl radical	²A^'	C_s
172	HCO⁺	Formyl cation	¹Σ	C_∞v
173	HNO	Nitrosyl hydride	¹A^'	C_s
174	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
175	HSO⁺	Sulfur Monoxide, S-protonated
176	SOH	Sulfur Hydroxide
177	SOH⁺	Sulfur Monoxide, protonated
178	H₂CO	Formaldehyde	¹A₁	C_2v
179	H₂CO^-	formaldehyde anion	²A^'	C_s
180	H₂CO^-	formaldehyde anion
181	H₂CO⁺	formaldehyde cation	²B₂	C_2v
182	H₂CS	Thioformaldehyde	¹A₁	C_2v
183	H₂CSe	Selenoformaldehyde
184	H₂O₂	Hydrogen peroxide	¹A	C₂
185	H₂OO	water oxide
186	HOSH	hydrogen thioperoxide
187	H₂Se₂	hydrogen diselenide
188	NH₂OH	hydroxylamine	¹A^'	C_s
189	NH₂OH⁺	Hydroxylamine cation
190	NH₂SH	Thiohydroxylamine
191	CH₃OH	Methyl alcohol	¹A^'	C_s
192	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
193	SiH₃OH	silanol
194	NH₂OH₂⁺	protonated hydroxylamine
195	NH₃OH⁺	N-protonated hydroxylamine
196	LiF	lithium fluoride	¹Σ	C_∞v
197	LiCl	lithium chloride	¹Σ	C_∞v
198	NaF⁺	sodium fluoride cation	²Σ	C_∞v
199	LiBr	Lithium Bromide	¹Σ	C_∞v
200	LiF⁺	lithium fluoride cation	²Π	C_∞v
201	BF	Boron monofluoride	¹Σ	C_∞v
202	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
203	GaF	Gallium monofluoride	¹Σ	C_∞v
204	AlBr	Aluminum monobromide
205	GaCl	Gallium monochloride	¹Σ_G	C_∞v
206	GaBr	Gallium monobromide
207	CF	Fluoromethylidyne	²Π	C_∞v
208	SiCl	Clorosilylidyne	²Π	C_∞v
209	GeF	Germanium monofluoride	²Π	C_∞v
210	GeCl	Germanium monochloride	²Π	C_∞v
211	GeCl⁺	Germanium monochloride cation
212	SiBr⁺	Silicon monobromide cation
213	PBr	Phosphorus monobromide
214	ClO	Monochlorine monoxide	²Π	C_∞v
215	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
216	SF	Monosulfur monofluoride	²Π	C_∞v
217	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
218	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
219	BrO	Bromine monoxide	²Π	C_∞v
220	BrO⁺	Bromine monoxide cation
221	SBr	Sulfur monobromide radical
222	SBr⁺	Sulfur monobromide cation
223	SeBr	Selenium monobromide
224	BrCl	Bromine monochloride	¹Σ	C_∞v
225	F₂	Fluorine diatomic	¹Σ_g	D_∞h
226	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
227	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
228	ClF⁺	clorine monofluoride cation	²Π	C_∞v
229	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
230	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
231	BrF	Bromine monofluoride	¹Σ	C_∞v
232	Br₂	Bromine diatomic	¹Σ_g	D_∞h
233	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
234	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
235	HCF	Fluoromethylene	¹A^'	C_s
236	HCF	Fluoromethylene	³A^"	C_s
237	HSiF	fluorosilylene
238	HSiCl	Chlorosilylene
239	HSiBr	monobromosilylene
240	HOF	Hypofluorous acid	¹A^'	C_s
241	HOCl	hypochlorous acid	¹A^'	C_s
242	HOCl⁺	hypochlorous acid cation
243	ClFH⁺	Chlorine fluoride, F-protonated
244	FClH⁺	Chlorine fluoride, Cl-protonated
245	CH₂Br	bromomethyl radical
246	CH₂F⁺	fluoromethyl cation
247	CH₂Cl⁺	chloromethyl cation
248	CH₂Cl	chloromethyl radical	²A^'	C_s
249	CH₂Cl	chloromethyl radical	²B₁	C_2v
250	NH₂Cl	chloramine	¹A^'	C_s
251	CH₃F⁺	methyl fluoride cation
252	CH₃Cl	Methyl chloride	¹A₁	C_3v
253	CH₃Cl⁺	Methyl chloride cation
254	SiH₃F	monofluorosilane	¹A₁	C_3v
255	SiH₃Cl	chlorosilane	¹A₁	C₁
256	CH₃Br	methyl bromide	¹A₁	C_3v
257	GeH₃F	monofluorogermane
258	GeH₃Cl	monochlorogermane
259	NH₃Cl⁺	protonated monochloroammonia
260	NH₄Cl	Ammonium chloride
261	Ar₂	Argon diatomic	¹S_g	D_∞h
262	SiC₂	Silicon dicarbide
263	C₃H₄	cyclopropene	¹A₁	C_2v
264	CH₂CCH₂	allene	¹A₁	D_2d
265	CH₃CCH	propyne	¹A^'	C_3v
266	CH₂CHCH₃	Propene	¹A^'	C_s
267	C₃H₇	n-Propyl radical	²A^"	C₁
268	Si₃H₈	trisilane
269	AlCN	Aluminum monocyanide
270	AlNC	Aluminum isocyanide
271	CNN	Diazocarbene
272	HN₃	hydrogen azide	¹A^'	C_s
273	HN₃⁺	Hydrazoic acid cation
274	HNCNH	diiminomethane	¹A	C₂
275	HNNNH⁺	1,2-Triazadienium
276	NH₂NN⁺	hydrazoic acid, protonated
277	CH₃CN	Acetonitrile	¹A₁	C_3v
278	CH₃CN^-	acetonitrile anion	²E	C_3v
279	CH₃CN^-	acetonitrile anion	²A^'	C_s
280	HCNCH₂⁺	2H-Azirine cation
281	NH₂CNH⁺	cyanamide, cn protonated
282	NH₃CN⁺	cyanamide, amine protonated
283	Na₂S	Sodium sulfide
284	Na₂S	Sodium sulfide
285	LiO₂	Lithium dioxide
286	NaO₂	Sodium superoxide
287	N₂O	Nitrous oxide	¹Σ	C_∞v
288	CO₂	Carbon dioxide	¹Σ_g	D_∞h
289	OCS	Carbonyl sulfide	¹Σ	C_∞v
290	CS₂	Carbon disulfide	¹Σ_g	D_∞h
291	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
292	OCSe	Carbonyl selenide	¹Σ	C_∞v
293	SCSe	Carbon sulfide selenide
294	NSO	sulfinyl amidogen
295	SNO	Nitrogen oxide sulfide
296	SO₂	Sulfur dioxide	¹A₁	C_2v
297	SSO	Disulfur monoxide	¹A^'	C_s
298	S₃	Sulfur trimer	¹A₁	C_2v
299	SeO₂	Selenium dioxide	¹A₁	C_2v
300	HCCO	ketenyl radical	²Π	C_∞v
301	HCCO	ketenyl radical	²A^"	C_s
302	HCNO	fulminic acid	¹Σ	C_∞v
303	HOCO	Hydrocarboxyl radical	¹A^'	cis
304	HOCO	Hydrocarboxyl radical	¹A^'	trans
305	O₃H⁺	protonated ozone	¹A^'	C_s
306	O₃H⁺	protonated ozone
307	C₂H₂O	Oxirene	¹A₁	C_2v
308	CH₂CO	Ketene	¹A₁	C_2v
309	CH₂CS	Thioketene
310	HCOOH	Formic acid
311	BH₃CO	Borane carbonyl	¹A₁	C_3v
312	NHCHSH	Methanimidothioic acid
313	C₂H₄O	Ethylene oxide	¹A₁	C_2v
314	C₂H₄O⁺	ethylene oxide cation
315	CH₃CHO	Acetaldehyde	¹A^'	C_s
316	CH₃CHO⁺	acetaldehyde cation
317	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
318	C₂H₄S	Thiirane	¹A₁	C_2v
319	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
320	NH₂CHOH⁺	Formamide, O-protonated
321	CH₃SSH	Hydrogen methyl disulfide
322	HSCH₂SH	Methanedithiol
323	CH₃CH₂SH	ethanethiol	¹A^'	C_s
324	CH₃CH₂SH	ethanethiol	¹A	C₁
325	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
326	BrCN	Cyanogen bromide	¹Σ	C_∞v
327	FBO	Boron monofluoride monoxide
328	BeBr₂	Beryllium bromide
329	FNO	Nitrosyl fluoride	¹A^'	C_s
330	ClNO	Nitrosyl chloride	¹A^'	C_s
331	CF₂	Difluoromethylene	¹A₁	D_∞h
332	SiF₂	Silicon difluoride	¹A₁	C_2v
333	GeCl₂	Germanium dichloride	¹A₁	C_2v
334	FOO⁺	Fluorine dioxide cation
335	OClO	Chlorine dioxide	²B₁	D_∞h
336	BrOO	Bromine dioxide
337	OBrO	Bromine dioxide radical	²B₁	C_2v
338	PF₂	Phosphorus difluoride
339	PF₂⁺	Phosphorus difluoride cation
340	SF₂	sulfur difluoride	¹A₁	C_2v
341	SeF₂	Selenium difluoride
342	SeCl₂	Selenium Dichloride
343	SBr₂	Sulfur dibromide
344	SeBr₂	Selenium dibromide
345	Br₃^-	tribromide anion
346	SFCl	Sulfur chloride fluoride
347	HCCF	Fluoroacetylene	¹Σ	C_∞v
348	CHF₂	difluoromethyl radical	²A	C_s
349	CHF₂⁺	difluoromethyl cation
350	CHFCl	Chlorofluoromethyl radical
351	CHFCl⁺	Chlorofluoromethyl cation
352	CHCl₂⁺	dichloromethyl cation
353	NHF₂	difluoramine
354	NHCl₂	dichloroamine
355	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
356	SiH₂F₂	difluorosilane
357	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
358	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
359	CH₂Br₂	dibromomethane	¹A₁	C_2v
360	CH₃MgBr	Methyl Magnesium Bromide
361	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
362	CH₂FOH	fluoromethanol
363	C₂H₅Br	Ethyl bromide	¹A^'	C_s
364	C₄	Carbon tetramer	³Σ_g	D_∞h
365	C₄	Carbon tetramer
366	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
367	C₄H₄	Tetrahedrane
368	C₄H₆	1-Methylcyclopropene	¹A	C₁
369	As₄	Arsenic tetramer	¹A₁	T_d
370	H₂CNCN	cyanamide, methylene
371	HNCCNH	Ethenediimine
372	C₂H₅CN	ethyl cyanide	¹A^'	C_s
373	H₂NCHCHNH₂	diaminoethylene
374	N(SiH₃)₃	trisilylamine
375	ONNO	NO dimer	¹A_g	trans C2H
376	ONNO	NO dimer	¹A₁	cis C2V
377	SO₃	Sulfur trioxide	¹A₁^'	D_3h
378	SO₃^--	Sulfate dianion
379	S₄	Sulfur tetramer
380	S₄	Sulfur tetramer
381	S₄	Sulfur tetramer
382	HNO₃	Nitric acid	¹A^'	C_s
383	C₃H₂O	Propadienal
384	C₃H₂O	Propadienal
385	C₂H₂O₂	Ethanedial	¹A_g	C_2h
386	CH₃NCO	methylisocyante
387	H₃AlO₃	Aluminum hydroxide
388	CH₂CHCHO	Acrolein	¹A^'	C_s
389	CH₂CHCHO	Acrolein
390	CH₂C(OH)NH₂	1-amino vinyl alchohol
391	CH₃C(OH)=NH	Ethaninidic acid
392	CH₃CSNH₂	Ethanethioamide
393	CH₃CH₂CHO	Propanal	¹A^'	C_s
394	C₃H₇OH	1-Propanol
395	Li₂F₂	Lithium fluoride dimer
396	CF₂O	Carbonic difluoride	¹A₁	C_2v
397	CF₂O⁺	Carbonic difluoride cation
398	BF₃⁺	boron trifluoride cation
399	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
400	BCl₃⁺	Boron Trichloride cation
401	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
402	CF₂Cl	difluorochloromethyl radical
403	CFCl₂	dichlorofluoromethyl radical
404	SSCl₂	Thiothionyl chloride
405	NF₃	Nitrogen trifluoride	¹A₁	C_3v
406	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
407	CHF₃	Methane, trifluoro-	¹A₁	C_3v
408	SiHF₃	trifluorosilane
409	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
410	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
411	CHBr₂F	dibromofluoromethane
412	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
413	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
414	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
415	CH₂CHCH₂F	Allyl Fluoride
416	CH₂CHCH₂F	Allyl Fluoride
417	CH₃CHCHF	trans-1-Fluoro-1-propene
418	CH₂FCH₂OH	2-fluoroethanol
419	CH₂FCH₂CH₃	1-Fluoropropane
420	C₅H₄	pentatetraene
421	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
422	B₂O₃	diboron trioxide
423	B₂O₃	diboron trioxide
424	CHOOCHO	diformyl ether
425	C₃H₃NO	Isoxazole	¹A^'	C_s
426	C₃H₃NS	Thiazole
427	C₄H₄Se	selenophene
428	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
429	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
430	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
431	GeF₄	Germanium tetrafluoride	¹A₁	T_d
432	CBr₂ClF	dibromochlorofluoromethane
433	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
434	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
435	C₂H₂N₂O	Furazan
436	C₆H₆	Prismane
437	C₆H₆	Dewar Benzene
438	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
439	N₂O₄	Dinitrogen tetroxide	¹A_g	D_2d
440	C₃H₂O₃	vinylene carbonate
441	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
442	C₆H₅CHO	benzaldehyde	¹A^'	C_s
443	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)

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	SbH₃	Stibine	sbh3
150	NH₄⁺	ammonium cation	nh4+
151	PH₄⁺	phosphonium cation	ph4+
152	O^-	Oxygen atom anion	o-
153	O⁺	Oxygen atom cation	o+
154	S⁺	Sulfur atom cation	s+
155	Cr	Chromium atom	cr
156	Te	Tellurium atom	te
157	Te⁺	Tellurium atom cation	te+
158	DO	Hydroxyl-d	od
159	DS	Mercapto-d	ds
160	HS	Mercapto radical	hs
161	HS^-	mercapto anion	sh-
162	HS⁺	sulfur monohydride cation	sh+
163	CrH	Chromium hydride	crh
164	CrH⁺	Chromium hydride cation	crh+
165	TeH	Telluryl radical	teh
166	D₂O	Deuterium oxide	d2o
167	H₂O⁺	water cation	h2o+
168	HDO	Water-d1	hdo
169	D₂S	Hydrogen sulfide-d2	d2s
170	H₂S^-	Hydrogen sulfide anion	h2s-
171	H₂S⁺	Hydrogen sulfide cation	h2s+
172	H₂Te	Hydrogen Telluride	h2te
173	H₃O⁺	hydronium cation	h3o+
174	H₃S⁺	Sulfonium cation	h3s+
175	F⁺	Fluorine atom cation	f+
176	Cl⁺	Chlorine atom cation	cl+
177	Mn	Manganese atom	mn
178	I	Iodine atom	iodine
179	I^-	Iodine atom anion	iodine-
180	I⁺	Iodine atom cation	iodine+
181	DF	Hydrofluoric acid-d	df
182	DCl	Hydrochloric acid-d	dcl
183	HI	Hydrogen iodide	hi
184	HI⁺	Hydrogen iodide cation	hi+
185	H₂F⁺	dihydrogen fluoride cation	h2f+
186	H₂Cl⁺	dihydrogen monochloride cation	h2cl+
187	H₂I⁺	Iodonium	h2i+
188	Ne	Neon atom	ne
189	Ne^-	Neon atom anion	ne-
190	Ne⁺	Neon atom cation	ne+
191	Ar	Argon atom	ar
192	Ar^-	Argon atom anion	ar-
193	Ar⁺	Argon atom cation	ar+
194	Fe	Iron atom	fe
195	Kr	Krypton atom	kr
196	Kr⁺	Krypton cation	kr+
197	Xe	Xenon atom	xe
198	NeH	neon hydrogen	neh
199	NeH⁺	neon hydrogen cation	neh+
200	KrH⁺	Protonated Krypton	krh+
201	XeH⁺	Xenon, protonated	xeh+
202	H₂Ar	H2 Ar dimer	h2ar
203	Co	Cobalt atom	cobalt
204	Ni	Nickel atom	ni
205	Li₂	Lithium diatomic	li2
206	Li₂^-	lithium diatomic anion	li2-
207	Li₂⁺	lithium diatomic cation	li2+
208	NaLi^-	lithium sodium anion	lina-
209	NaLi⁺	lithium sodium cation	lina+
210	LiK	Lithium Potassium	lik
211	Na₂⁺	sodium diatomic cation	na2+
212	NaK	Sodium Potassium	nak
213	NaK⁺	Sodium Potassium diatomic cation	nak+
214	K₂	Potassium diatomic	k2
215	Cu₂	Copper diatomic	cu2
216	LiBe	Lithium Beryllium	libe
217	LiMg	Lithium magnesium	limg
218	NaBe	Sodium Beryllium	nabe
219	NaMg	Sodium Magnesium	namg
220	Be₂	Beryllium diatomic	be2
221	Be₂^-	Beryllium diatomic anion	be2-
222	Be₂⁺	Beryllium diatomic cation	be2+
223	BeMg	Beryllium Magnesium	bemg
224	Mg₂	Magnesium diatomic	mg2
225	Mg₂^-	magnesium diatomic anion	mg2-
226	Mg₂⁺	magnesium diatomic cation	mg2+
227	Ca₂	Calcium diatomic	ca2
228	LiB	Lithium boride	lib
229	NaAl	Sodium aluminum	naal
230	BeB	Beryllium monoboride	beb
231	B₂	Boron diatomic	b2
232	B₂^-	Boron diatomic anion	b2-
233	B₂⁺	Boron diatomic cation	b2+
234	BAl	Boron Aluminum	bal
235	Al₂	Aluminum diatomic	al2
236	Al₂^-	aluminum diatomic anion	al2-
237	Al₂⁺	aluminum diatomic cation	al2+
238	BGa	Boron Gallium	bga
239	AlGa	Aluminum Gallium	alga
240	Ga₂	Gallium diatomic	ga2
241	LiBH₄	Lithium borohydride	libh4
242	HBHHBH	Diborane(4) C2V	hbhhbh
243	Al₂H₆	dialane	al2h6
244	Ga₂H₆	digallane	ga2h6
245	LiC	Lithium Carbide	lic
246	BeC	Beryllium Carbide	bec
247	CaC	Calcium monocarbide	cac
248	BC	boron monocarbide	bc
249	BC^-	boron monocarbide anion	bc-
250	BC⁺	boron monocarbide cation	bc+
251	AlC	Aluminum carbide	alc
252	BSi	Boron silicide	bsi
253	C₂	Carbon diatomic	c2
254	C₂^-	carbon diatomic anion	c2-
255	C₂⁺	carbon diatomic cation	c2+
256	SiC	silicon monocarbide	sic
257	SiC^-	silicon monocarbide anion	sic-
258	SiC⁺	silicon monocarbide cation	sic+
259	Si₂	Silicon diatomic	si2
260	Si₂^-	silcon diatomic anion	si2-
261	Si₂⁺	silcon diatomic cation	si2+
262	Ge₂	Germanium diatomic	ge2
263	C₂H	Ethynyl radical	c2h
264	C₂H⁺	Ethynyl cation	c2h+
265	ZnCH₂	Zinc methylene	znch2
266	C₂H₂	Acetylene	c2h2
267	CCH₂	vinylidene	vinylidene
268	H₂CC^-	vinylidene anion	h2cc-
269	HCCH^-	acetylene anion	c2h2-
270	CuCH₃	monomethyl copper	cuch3
271	ZnCH₃	Zinc monomethyl	znch3
272	CH₂BH	methyleneborane	ch2bh
273	C₂H₃	vinyl	c2h3
274	C₂H₃^-	vinyl anion	c2h3-
275	C₂H₄^-	Ethylene anion	c2h4-
276	C₂H₄⁺	Ethylene cation	c2h4+
277	CH₃CH	methylmethylene	ch3ch
278	CH₂SiH₂	silaethylene	ch2sih2
279	CH₃BH₂	methylborane	ch3bh2
280	C₂H₅	Ethyl radical	c2h5
281	C₂H₅^-	Ethyl anion	c2h5-
282	C₂H₅⁺	Ethyl cation	c2h5+
283	C₂H₆⁺	ethane cation	c2h6+
284	CH₃SiH₃	methyl silane	ch3sih3
285	GeH₃CH₃	methyl germane	geh3ch3
286	C₂H₇⁺	Ethane, protonated	c2h7+
287	LiN⁺	Lithium Nitride cation	lin+
288	BeN	Beryllium mononitride	ben
289	BeN^-	Beryllium mononitride anion	ben-
290	BeN⁺	Beryllium mononitride cation	ben+
291	BN^-	boron nitride anion	bn-
292	AlN^-	aluminum mononitride anion	aln-
293	AlN⁺	aluminum mononitride cation	aln+
294	BP	Boron monophosphide	bp
295	AlP	Aluminum monophosphide	alp
296	GaN	Gallium mononitride	gan
297	GaP	Gallium monophosphide	gap
298	BN	boron nitride	bn
299	BN⁺	boron nitride cation	bn+
300	AlN	Aluminum nitride	aln
301	CN^-	cyanide anion	cn-
302	CN⁺	Cyano cation	cn+
303	CP	Carbon monophosphide	cp
304	CP^-	carbon monophosphide anion	cp-
305	CP⁺	carbon monophosphide cation	cp+
306	SiN	Silicon nitride	sin
307	SiN^-	silicon mononitride anion	sin-
308	SiN⁺	silicon mononitride cation	sin+
309	SiP^-	Silicon monophosphide anion	sip-
310	SiP⁺	Silicon monophosphide cation	sip+
311	TiN	Titanium mononitride	tin
312	N₂⁺	diatomic nitrogen cation	n2+
313	PN^-	phosphorus nitride anion	pn-
314	PN⁺	phosphorus nitride cation	pn+
315	P₂	Phosphorus diatomic	p2
316	P₂^-	phosphorus diatomic anion	p2-
317	P₂⁺	phosphorus diatomic cation	p2+
318	AsN	Arsenic mononitride	asn
319	AsP	Arsenic monophosphide	asp
320	SbN	Antimony nitride	sbn
321	As₂	Arsenic diatomic	as2
322	HNB	hydrogen nitrogen boron	hnb
323	HNC	hydrogen isocyanide	hnc
324	HCN^-	Hydrogen cyanide anion	hcn-
325	HCN⁺	hydrogen cyanide cation	hcn+
326	HCP	Phosphaethyne	hcp
327	NNH	Dinitrogen monohydride	nnh
328	HPO	Hydrogen phosphorus oxide	hpo
329	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
330	HBNH	Boranimine	hbnh
331	CNH₂	Aminomethylidyne radical	cnh2
332	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
333	H₂CN	Dihydrogen cyanide radical	h2cn
334	H₂CN⁺	hydrocyanonium cation	h2cn+
335	HCNH	methyleneazane	hcnh
336	HCNH⁺	N-protonated HCN	hcnh+
337	N₂H₂	(E)-diazene	n2h2
338	N₂H₂	(Z)-Diazene	n2h2z
339	N₂H₂⁺	trans-diazene cation	n2h2+
340	CH₂PH	Phosphaethene	ch3p
341	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
342	N₂H₄	Hydrazine	n2h4
343	N₂H₄⁺	hydrazine cation	n2h4+
344	P₂H₄	Diphosphine	p2h4
345	CH₃NH₂⁺	methyl amine cation	ch3nh2+
346	CH₃PH₂	Methyl phosphine	ch3ph2
347	N₂H₅⁺	protonated hydrazine	n2h5+
348	BH₃NH₃	borane ammonia	bh3nh3
349	CH₃NH₃	methyl ammonium radical	ch3nh3
350	CH₃NH₃⁺	protonated methylamine	ch3nh3+
351	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
352	NH₃NH₃	Ammonia Dimer	nh3nh3
353	N₂H₇⁺	ammonia ammonium dimer	n2h7+
354	LiO	lithium oxide	lio
355	LiO^-	lithium oxide anion	lio-
356	LiO⁺	lithium oxide cation	lio+
357	LiS	Lithium monosulfide	lis
358	LiS⁺	Lithium sulfide cation	lis+
359	NaO	sodium monoxide	nao
360	NaO^-	sodium oxide anion	nao-
361	NaO⁺	sodium oxide cation	nao+
362	KO	Potassium monoxide	ko
363	KO⁺	Potassium monoxide cation	ko+
364	NaS	Sodium sulfide	nas
365	CuO	Copper Monoxide	cuo
366	BeO	beryllium oxide	beo
367	BeO^-	Beryllium monoxide anion	beo-
368	BeO⁺	Beryllium monoxide cation	beo+
369	BeS	beryllium sulfide	bes
370	MgO	magnesium oxide	mgo
371	MgO^-	magnesium oxide anion	mgo-
372	MgO⁺	magnesium oxide cation	mgo+
373	CaO	Calcium monoxide	cao
374	MgS	magnesium sulfide	mgs
375	MgS^-	magnesium sulfide anion	mgs-
376	MgS⁺	magnesium sulfide cation	mgs+
377	CaS	Calcium sulfide	cas
378	ZnO	zinc monoxide	zno
379	ZnS	Zinc sulfide	zns
380	BeS^-	Beryllium monosulfide anion	bes-
381	BeS⁺	Beryllium monosulfide cation	bes+
382	BO	boron monoxide	bo
383	BO^-	boron monoxide anion	bo-
384	AlO	Aluminum monoxide	alo
385	AlO^-	Aluminum monoxide anion	alo-
386	AlO⁺	aluminum monoxide cation	alo+
387	BS	boron sulfide	bs
388	BS^-	boron monosulfide anion	bs-
389	BS⁺	boron monosulfide cation	bs+
390	AlS	Aluminum sulfide	als
391	AlS^-	aluminum monosulfide anion	als-
392	AlS⁺	aluminum monosulfide cation	als+
393	ScO	Scandium monoxide	sco
394	BO⁺	boron monoxide cation	bo+
395	CS	carbon monosulfide	cs
396	CS^-	carbon monosulfide anion	cs-
397	CS⁺	carbon monosulfide cation	cs+
398	SiO^-	silicon monoxide anion	sio-
399	SiO⁺	silicon monoxide cation	sio+
400	SiS^-	silicon monosulfide anion	sis-
401	SiS⁺	silicon monosulfide cation	sis+
402	TiO	Titanium monoxide	tio
403	CSe^-	Carbon monoselenide anion	cse-
404	CSe⁺	Carbon monoselenide cation	cse+
405	GeO⁺	Germanium monoxide cation	geo+
406	GeS	Germanium monosulfide	ges
407	NO⁺	nitric oxide cation	no+
408	NS	Mononitrogen monosulfide	ns
409	NS^-	nitrogen sulfide anion	ns-
410	NS⁺	nitrogen sulfide cation	ns+
411	PO	Phosphorus monoxide	po
412	PO^-	phosphorus monoxide anion	po-
413	PO⁺	phosphorus monoxide cation	po+
414	PS^-	phosphorus monosulfide anion	ps-
415	PS⁺	phosphorus monosulfide cation	ps+
416	VO	Vanadium monoxide	vo
417	AsO	Arsenic monoxide	aso
418	NSe	Nitrogen monoselenide	nse
419	AsS	Arsenic monosulfide	ass
420	PSe	Phosphorus monoselenide	pse
421	AsSe	Arsenic monoselenide	asse
422	O₂⁺	diatomic oxygen cation	o2+
423	SO^-	sulfur monoxide anion	so-
424	S₂^-	sulfur diatomic anion	s2-
425	S₂⁺	sulfur diatomic cation	s2+
426	SeO^-	selenium monoxide anion	seo-
427	SeO⁺	selenium monoxide cation	seo+
428	SeS	Selenium monosulfide	ses
429	SeS^-	selenium monosulfide anion	ses-
430	SeS⁺	selenium monosulfide cation	ses+
431	TeO	Tellurium monoxide	teo
432	Se₂^-	selenium diatomic anion	se2-
433	Se₂⁺	selenium diatomic cation	se2+
434	Te₂	Tellurium diatomic	te2
435	LiOH	lithium hydroxide	lioh
436	NaOH	sodium hydroxide	naoh
437	KOH	Potassium hydroxide	koh
438	MgOH	magnesium hydroxide	mgoh
439	CaOH	Calcium monohydroxide	caoh
440	HBO	Boron hydride oxide	hbo
441	COH⁺	Carbon Monoxide, protonated	coh+
442	HCO^-	formyl anion	hco-
443	HCS	Thioformyl radical	hcs
444	HCS^-	Thioformyl anion	hcs-
445	HCS⁺	Thioformyl cation	hcs+
446	HNO^-	Nitrosyl hydride anion	hno-
447	NOH	Hydroxyimidogen	noh
448	NOH⁺	O-protonated nitric oxide	noh+
449	HNS	Sulfur imide	hns
450	HNS^-	Sulfur imide anion	hns-
451	HO₂	Hydroperoxy radical	ho2
452	HO₂^-	Hydroperoxy anion	ho2-
453	HO₂⁺	Hydroperoxy cation	ho2+
454	HS₂	Thiosulfeno radical	hs2
455	HOCH	hydroxycarbene	hoch
456	H₂CS^-	thioformaldehyde anion	h2cs-
457	H₂CS⁺	thioformaldehyde cation	h2cs+
458	H₂NO	nitroxide	h2no
459	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
460	H₂S₂	Disulfane	h2s2
461	H₂S₂⁺	hydrogen disulfide cation	h2s2+
462	CH₂OH	Hydroxymethyl radical	ch2oh
463	CH₂OH⁺	hydroxymethyl cation	ch2oh+
464	CH₃O	Methoxy radical	ch3o
465	CH₃O^-	methoxy anion	ch3o-
466	CH₃O⁺	Methoxy cation	ch3o+
467	CH₃S	thiomethoxy	ch3s
468	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
469	NH₃O	Ammonia Oxide	nh3o
470	H₂POH	Phosphinous acid	h2poh
471	H₃PO	Phosphine oxide	h3po
472	NH₃S	sulfidoazane	nh3s
473	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
474	CH₃OH^-	Methyl alcohol anion	ch3oh-
475	CH₃SH	Methanethiol	ch3sh
476	CH₃SH⁺	Methanethiol cation	ch3sh+
477	CH₃SeH	Methane selenol	ch3seh
478	H₂OH₂O	water dimer	h2oh2o
479	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
480	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
481	H₂ONH₃	Water Ammonia Dimer	h2onh3
482	H₅O₂⁺	Dihydroxonium ion	h5o2+
483	LiCl^-	lithium chloride anion	licl-
484	LiCl⁺	lithium chloride cation	licl+
485	NaF	sodium fluoride	naf
486	NaF^-	sodium fluoride anion	naf-
487	KF	Potassium Fluoride	kf
488	NaCl	Sodium Chloride	nacl
489	NaCl^-	sodium chloride anion	nacl-
490	NaCl⁺	sodium chloride cation	nacl+
491	KCl	Potassium Chloride	kcl
492	CuF	Copper monofluoride	cuf
493	LiBr^-	lithium bromide anion	libr-
494	LiBr⁺	lithium bromide cation	libr+
495	CuCl	Copper monochloride	cucl
496	NaBr	Sodium Bromide	nabr
497	NaBr^-	sodium bromide anion	nabr-
498	NaBr⁺	sodium bromide cation	nabr+
499	KBr	Potassium Bromide	kbr
500	LiI	Lithium Iodide	lii
501	NaI	Sodium Iodide	nai
502	KI	Potassium Iodide	ki
503	LiF^-	lithium fluoride anion	lif-
504	BeF	Beryllium monofluoride	bef
505	BeF^-	Beryllium monofluoride anion	bef-
506	BeF⁺	Beryllium monofluoride cation	bef+
507	BeCl	beryllium monochloride	becl
508	MgF	Magnesium monofluoride	mgf
509	MgF^-	magnesium fluoride anion	mgf-
510	MgF⁺	magnesium fluoride cation	mgf+
511	CaF	Calcium monofluoride	caf
512	MgCl	magnesium monochloride	mgcl
513	MgCl^-	magnesium monochloride anion	mgcl-
514	MgCl⁺	magnesium monochloride cation	mgcl+
515	CaCl	calcium monochloride	cacl
516	TiCl	Titanium Monochloride	ticl
517	ZnF	Zinc monofluoride	znf
518	ZnF^-	Zinc monofluoride anion	znf-
519	ZnF⁺	Zinc monofluoride cation	znf+
520	ZnCl	Zinc monochloride	zncl
521	CaBr	Calcium monobromide	cabr
522	BeCl^-	beryllium monochloride anion	becl-
523	BeCl⁺	beryllium monochloride cation	becl+
524	BF^-	Boron monofluoride anion	bf-
525	BF⁺	Boron monofluoride cation	bf+
526	AlF^-	Aluminum monofluoride anion	alf-
527	AlF⁺	Aluminum monofluoride cation	alf+
528	BCl	boron monochloride	bcl
529	BCl^-	boron monochloride anion	bcl-
530	BCl⁺	boron monochloride cation	bcl+
531	AlCl	Aluminum monochloride	alcl
532	AlCl^-	aluminum monochloride anion	alcl-
533	AlCl⁺	aluminum monochloride cation	alcl+
534	ScF	Scandium monofluoride	scf
535	BBr	Boron monobromide	bbr
536	GaF⁺	Gallium monofluoride cation	gaf+
537	GaCl⁺	Gallium monochloride cation	gacl+
538	AlI	Aluminum monoiodide	ali
539	CF^-	carbon monofluoride anion	cf-
540	CF⁺	carbon monofluoride cation	cf+
541	CCl	carbon monochloride	ccl
542	CCl^-	carbon monochloride anion	ccl-
543	CCl⁺	carbon monochloride cation	ccl+
544	SiF	silicon monofluoride	sif
545	SiF^-	silicon monofluoride anion	sif-
546	SiF⁺	silicon monofluoride cation	sif+
547	SiCl^-	silicon monochloride anion	sicl-
548	SiCl⁺	silicon monochloride cation	sicl+
549	CBr	Carbon monobromide	cbr
550	GeF⁺	Germanium monofluoride cation	gef+
551	SiBr	Silicon monobromide	sibr
552	NF	nitrogen fluoride	nf
553	NF^-	nitrogen monofluorine anion	nf-
554	NF⁺	nitrogen monofluoirde cation	nf+
555	NCl	nitrogen monochloride	ncl
556	NCl^-	nitrogen monochloride anion	ncl-
557	NCl⁺	nitrogen monochloride cation	ncl+
558	PF	phosphorus monofluoride	pf
559	PF^-	phosphorus monofluoride anion	pf-
560	PF⁺	phosphorus monofluoride cation	pf+
561	PCl	phosphorus chloride	pcl
562	PCl^-	phosphorus monochloride anion	pcl-
563	PCl⁺	phosphorus monochloride cation	pcl+
564	AsF	Arsenic monofluoride	asf
565	NBr	nitrogen monobromide	nbr
566	AsCl	Arsenic monochloride	ascl
567	SbF	Antimony monofluoride	sbf
568	SbCl	Antimony monochloride	sbcl
569	FO	Oxygen monofluoride	fo
570	FO^-	flourine oxide anion	fo-
571	FO⁺	fluorine monoxide cation	fo+
572	ClO^-	chlorine monoxide anion	clo-
573	SF^-	sulfur monofluoride anion	sf-
574	SCl	sulfur monochloride	scl
575	SCl^-	sulfur monochloride anion	scl-
576	BrO^-	Bromine monoxide anion	bro-
577	SeF	Selenium monofluoride	sef
578	SeCl	Selenium monochloride	secl
579	IO	Iodine monoxide	io
580	ClF	Chlorine monofluoride	clf
581	ClF^-	clorine monofluoride anion	clf-
582	Cl₂^-	chlorine diatomic anion	cl2-
583	BrF^-	bromine fluoride anion	brf-
584	BrF⁺	bromine fluoride cation	brf+
585	BrCl^-	bromine chloride anion	brcl-
586	BrCl⁺	bromine chloride cation	brcl+
587	IF	Iodine monofluoride	if
588	ICl	Iodine monochloride	icl
589	IBr	Iodine monobromide	ibr
590	I₂	Iodine diatomic	i2
591	I₂⁺	Iodine diatomic cation	i2+
592	HCCl	Chloromethylene	hccl
593	CHBr	bromomethylene	chbr
594	DOCl	Hypochlorous acid-d	docl
595	HOBr	Hypobromous acid	hobr
596	HOBr⁺	Hypobromous acid cation	hobr+
597	HOI	Hypoiodous acid	hoi
598	F₂H⁺	Fluorine, protonated	f2h+
599	FHF	Hydrogen difluoride	fhf
600	FHF^-	Hydrogen difluoride anion	fhf-
601	Cl₂H⁺	Chlorine, protonated	cl2h+
602	CH₂F	fluoromethyl radical	ch2f
603	NH₂F	monofluoroamine	nh2f
604	H₂F₂	Hydrogen fluoride dimer	h2f2
605	CD₃F	methylfluoride-d3	cd3f
606	CH₃F	Methyl fluoride	ch3f
607	CD₃Cl	methyl chloride d3	cd3cl
608	SiH₃Br	bromosilane	sih3br
609	CH₃I	methyl iodide	ch3i
610	SiH₃I	Silyl Iodide	sih3i
611	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
612	LiNe⁺	Lithium Neon cation	line+
613	Ne₂	Neon diatomic	ne2
614	Ne₂⁺	Neon diatomic cation	ne2+
615	Ar₂⁺	Argon diatomic cation	ar2+
616	Li₃	Lithium trimer	li3
617	Li₃⁺	Lithium trimer cation	li3+
618	C₃	carbon trimer	c3
619	C₃⁺	carbon trimer cation	c3+
620	C₃H₃	cyclopropenyl radical	cpr
621	C₃H₃	Propargyl radical	propargyl
622	C₃H₃^-	Propargyl anion	c3h3-
623	C₃H₃⁺	cyclopropenyl cation	cpr+
624	C₃H₃⁺	Propargyl cation	c3h3+
625	C₃H₅	Allyl radical	allyl
626	C₃H₅⁺	Allyl cation	allyl+
627	CH₃CHCH	1-propenyl radical	ch3chch
628	Zn(CH₃)₂	dimethyl zinc	dmz
629	C₃H₆	Cyclopropane	c3h6
630	C₃H₇⁺	cyclopropane, protonated	c3h7+
631	CH₃CHCH₃	Isopropyl radical	isopropyl
632	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
633	C₃H₈	Propane	propane
634	SiH₂(CH₃)₂	dimethylsilane	dms
635	LiCN	lithium cyanide	licn
636	NaCN	Sodium Cyanide	nacn
637	KCN	Potassium cyanide	kcn
638	CuCN	Copper cyanide	cucn
639	ZnCN	Zinc monocyanide	zncn
640	ZnNC	Zinc isocyanide	znnc
641	CN₂	3H-Diazirin-3-ylidene	cn2
642	NCN	Cyanoimidogen	ncn
643	N₃	azide radical	n3
644	N₃^-	azide anion	n3-
645	N₃⁺	azide cation	n3+
646	HCCN	cyanomethylene	hccn
647	HCNN	diazomethyl radical	hcnn
648	CH₂N₂	diazirine	ch2n2
649	CH₂NN	diazomethane	ch2nn
650	NH₂CN	cyanamide	cyanamide
651	CH₃CN⁺	Acetonitrile cation	ch3cn+
652	CH₃NC	methyl isocyanide	ch3nc
653	CHNCH₂	2H-Azirine	c157164
654	CHNHCH	1H-Azirine	chnhch
655	H₂CCNH	Ethenimine	ch2cnh
656	H₂CNCH	methyleneaminomethylene	ch2nch
657	HCCNH₂	Ethynamine	hccnh2
658	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
659	NCNH₃⁺	Cyanamide, protonated	ncnh3+
660	CH₂CHNH	vinylazine	ch2chnh
661	CH₃CHN	methylmethaniminyl radical	ch3chn
662	NHCHNH₂	aminomethanimine	cn2h4
663	C₂H₅N	Aziridine	c2h5n
664	CH₂CHNH₂	aminoethene	aminoethene
665	CH₂NCH₃	N-methylmethanimine	nmm
666	CH₃CHNH	ethanimine	ethanimine
667	NH₂BHNH₂	diaminoborane	nh2bhnh2
668	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
669	C₂H₆N⁺	aziridine, protonated	c2h6n+
670	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
671	CH₃CH₂NH₂	Ethylamine	etam
672	CH₃NHCH₃	Dimethylamine	ch3nhch3
673	CH₃PHCH₃	dimethylphosphine	ch3phch3
674	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
675	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
676	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
677	Li₂O	dilithium oxide	li2o
678	Li₂O⁺	dilithium oxide cation	li2o+
679	Li₂S	dilithium sulfide	li2s
680	Na₂O	disodium monoxide	na2o
681	CCO	Dicarbon monoxide	cco
682	CNO^-	fulminate	cno-
683	NCO	isocyanato radical	nco
684	NCO^-	cyanate	nco-
685	SCN	thiocyanato radical	scn
686	SCN^-	thiocyanide anion	scn-
687	BO₂	Boron dioxide	bo2
688	BO₂^-	Boron dioxide anion	bo2-
689	BO₂⁺	Boron dioxide cation	bo2+
690	N₂O^-	Nitrous oxide anion	n2o-
691	N₂O⁺	Nitrous oxide cation	n2o+
692	NNS	Nitrogen sulfide	nns
693	PPO	Phosphorus oxide phosphide	ppo
694	CO₂^-	Carbon dioxide anion	co2-
695	CO₂⁺	Carbon dioxide cation	co2+
696	OCS⁺	Carbonyl sulfide cation	cos+
697	SiO₂	silicon dioxide	sio2
698	CS₂^-	Carbon disulfide anion	cs2-
699	CS₂⁺	Carbon disulfide cation	cs2+
700	TiO₂	Titanium dioxide	tio2
701	SiS₂	Silicon disulfide	sis2
702	GeS₂	Germanium disulfide	ges2
703	CSe₂	Carbon diselenide	cse2
704	SCTe	Carbon sulfide Telluride	scte
705	NO₂	Nitrogen dioxide	no2
706	NO₂^-	Nitrogen dioxide anion	no2-
707	NO₂⁺	Nitrogen dioxide cation	no2+
708	PO₂	Phosphorus dioxide	po2
709	PO₂^-	Phosphorus dioxide anion	po2-
710	PO₂⁺	Phosphorus dioxide cation	po2+
711	AsO₂	Aresenic dioxide	aso2
712	O₃	Ozone	o3
713	O₃^-	Ozone anion	o3-
714	O₃⁺	Ozone cation	o3+
715	SO₂^-	Sulfur dioxide anion	so2-
716	SO₂⁺	Sulfur dioxide cation	so2+
717	S₃^-	Sulfur trimer anion	s3-
718	S₃⁺	Sulfur trimer cation	s3+
719	SeO₂⁺	Selenium dioxide cation	seo2+
720	TeO₂	Tellurium Dioxide	teo2
721	CS₂H⁺	Carbon disulfide, protonated	cs2h+
722	HNCO	Isocyanic acid	hnco
723	HOCN	cyanic acid	hocn
724	HNCS	Isothiocyanic acid	hncs
725	HSCN	thiocyanic acid	hscn
726	HCO₂^-	formate anion	hco2-
727	HNNO	nitrosoazane	hnno
728	HNNO⁺	Nitrous oxide, N-protonated	hnno+
729	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
730	HCOO	formate neutral radical	hcoo
731	HOCO⁺	Hydrocarboxyl cation	hoco+
732	HNO₂	Nitrous acid	hno2
733	HNO₂⁺	nitrous acid cation	hno2+
734	SO₂H⁺	protonated sulfur dioxide	so2h+
735	CH₂CO⁺	Ketene cation	ch2co+
736	HCCOH	ethynol	hccoh
737	Be(OH)₂	Beryllium hydroxide	beo2h2
738	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
739	NH₂NO	Nitrosamide	nh2no
740	CH₂O₂	Dioxirane	diox
741	H₂COO	Dioxymethyl radical	h2coo
742	H₂COO⁺	dioxymethyl cation	h2coo+
743	H₂O₃	Hydrogen trioxide	h2o3
744	HSSSH	trisulfane	hsssh
745	NaOCH₃	Sodium methoxide	naoch3
746	CH₂BOH	hydroxy(methylene)borane	ch2boh
747	CH₃BO	Borane, methyloxo-	ch3bo
748	CH₂CHO	Vinyloxy radical	ch2cho
749	CH₂COH⁺	ketene, protonated	ch2coh+
750	CH₃CO	Acetyl radical	ch3co
751	CH₃CO^-	Acetyl anion	ch3co-
752	CH₃CO⁺	acetyl cation	ch3co+
753	CH₂NOH	formaldoxime	ch2noh
754	CH₃NO	nitrosomethane	ch3no
755	CHONH₂	formamide	formamide
756	CNOH₃	1,2-oxaziridine	cnoh3
757	HOCHNH	hydroxymethylimine	hochnh
758	CHSNH₂	thioformamide	chsnh2
759	CH₂OOH	CH2OOH radical	ch2ooh
760	CH₃OO	methylperoxy radical	ch3oo
761	CH₃OO^-	methylperoxy anion	ch3oo-
762	CH₃OO⁺	methylperoxy cation	ch3oo+
763	CH₂CHOH	ethenol	ch2choh
764	CH₂CHSH	Ethenethiol	ch2chsh
765	H₂CONH₂⁺	protonated formamide	h2conh2+
766	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
767	CH₂(OH)₂	methanediol	ch2o2h2
768	CH₃OOH	Methyl peroxide	ch3ooh
769	H₂OH₂CO	water formaldehyde dimer	h2oh2co
770	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
771	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
772	CH₃CH₂O	Ethoxy radical	ethoxy
773	CH₃CHOH	1-hydroxy-ethyl radical	ch3choh
774	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
775	CH₃OCH₂	methoxymethyl radical	ch3och2
776	NH₂CH₂OH	aminomethanol	nh2ch2oh
777	CH₃CH₂OH	Ethanol	etoh
778	CH₃OCH₃	Dimethyl ether	meome
779	CH₃SCH₃⁺	dimethyl sulfide cation	mesme+
780	CH₃SeCH₃	dimethylselenide	dmse
781	CH₃OHH₂O	methanol water dimer	ch3ohh2o
782	H₂OCH₃OH	water methanol dimer	h2och3oh
783	CuF₂	Copper difluoride	cuf2
784	ZnF₂	Zinc difluoride	znf2
785	CNF	iso cyanogen fluoride	cnf
786	FCN	Cyanogen fluoride	fcn
787	ClCN	chlorocyanogen	clcn
788	ICN	Cyanogen iodide	icn
789	BeF₂	Beryllium fluoride	bef2
790	MgF₂	Magnesium fluoride	mgf2
791	BeCl₂	Beryllium chloride	becl2
792	MgCl₂	Magnesium dichloride	mgcl2
793	CaCl₂	Calcium Chloride	cacl2
794	ZnCl₂	Zinc dichloride	zncl2
795	CaBr₂	Calcium dibromide	cabr2
796	CaF₂	Calcium difluoride	caf2
797	FCO	Carbonyl fluoride	fco
798	FCO⁺	Carbonyl fluoride cation	fco+
799	ClCO	carbonyl monochloride	clco
800	BF₂	Boron difluoride radical	bf2
801	FNS	Thionitrosyl fluoride	fns
802	FSN	Thiazyl fluoride	fsn
803	OPCl	Phosphorus oxychloride	opcl
804	BrNO	Nitrosyl bromide	brno
805	INO	Nitrosyl iodide	ino
806	CF₂^-	Difluoromethylene anion	cf2-
807	CF₂⁺	Difluoromethylene cation	cf2+
808	CFCl	chlorofluoromethylene	cfcl
809	SiF₂⁺	Silicon difluoride cation	sif2+
810	CCl₂	dichloromethylene	ccl2
811	CCl₂^-	dichloromethylene anion	ccl2-
812	CCl₂⁺	dichloromethylene cation	ccl2+
813	SiCl₂	Dichlorosilylene	sicl2
814	GeF₂	Germanium difluoride	gef2
815	CBr₂	dibromomethylene	cbr2
816	FOO	Dioxygen monofluoride radical	foo
817	ClOO	chloroperoxy radical	cloo
818	ClOO⁺	chloroperoxy cation	cloo+
819	OClO^-	Chlorine dioxide anion	oclo-
820	OClO⁺	Chlorine dioxide cation	oclo+
821	ClSO	Sulfur chloride oxide	clso
822	ClS₂	Sulfur chloride	cls2
823	NF₂	Difluoroamino radical	nf2
824	NF₂⁺	Difluoroamino cation	nf2+
825	FClO	chlorosyl fluoride	fclo
826	F₂O	Difluorine monoxide	f2o
827	ClOF	Chlorine hypofluorite	clof
828	SF₂^-	sulfur difluoride anion	sf2-
829	SF₂⁺	sulfur difluoride cation	sf2+
830	Cl₂O	Dichlorine monoxide	cl2o
831	SCl₂	Sulfur dichloride	scl2
832	BrOCl	Bromine hypochlorite	brocl
833	BrOBr	Bromine oxide	brobr
834	F₃^-	trifluoride anion	f3-
835	Cl₃^-	trichloride anion	cl3-
836	I₃^-	triiodide	i3-
837	HCCF⁺	fluoroacetylene cation	hccf+
838	HCCCl	Chloroacetylene	hcccl
839	HCCBr	bromoacetylene	hccbr
840	HFCO	formyl fluoride	hfco
841	HFCO⁺	formyl fluoride cation	hfco+
842	COHCl	Formyl chloride	cohcl
843	COHBr	Formyl bromide	cohbr
844	BHF₂	Difluoroborane	bhf2
845	BHCl₂	Borane, dichloro-	bhcl2
846	CHCl₂	dichloromethyl radical	chcl2
847	CHBr₂	dibromomethyl radical	chbr2
848	HOClO	Chlorous acid	hoclo
849	CH₂FCl	fluorochloromethane	ch2fcl
850	CH₂BrF	Methane, bromofluoro-	ch2fbr
851	CH₂FI	fluoroiodomethane	ch2fi
852	CH₂ClI	chloroiodomethane	ch2cli
853	CH₂BrI	bromoiodomethane	ch2bri
854	CH₂I₂	Diiodomethane	ch2i2
855	SiH₂Cl₂	dichlorosilane	sih2cl2
856	CH₂CHF⁺	fluoroethene cation	ch2chf+
857	C₂H₃Cl	Ethene, chloro-	ch2chcl
858	C₂H₃Br	vinyl bromide	c2h3br
859	C₂H₃I	Vinyl iodide	c2h3i
860	CH₃OCl	methyl hypochlorite	ch3ocl
861	CH₂CH₂Cl	2-chloroethyl radical	ch2ch2cl
862	CHClCH₃	1-chloroethyl radical	chclch3
863	C₂H₅F	fluoroethane	c2h5f
864	CH₃CH₂Cl	Ethyl chloride	c2h5cl
865	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
866	C₂H₅I	Ethyl iodide	c2h5i
867	KrF₂	Krypton difluoride	krf2
868	XeF₂	Xenon difluoride	xef2
869	B₄H₁₀	Tetraborane(10)	b4h10
870	C₄⁺	Carbon tetramer cation	c4+
871	C₄H₂	Diacetylene	c4h2
872	C₂H₃CCH	1-Buten-3-yne	c2h3cch
873	C₄H₄	cyclobutadiene	cbd
874	H₂CCCCH₂	Butatriene	h2cccch2
875	C₄H₆	Cyclobutene	c822355
876	C₄H₆	Methylenecyclopropane	c6142730
877	CH₂CCHCH₃	1,2-Butadiene	butad12
878	CH₂CHCHCH₂	1,3-Butadiene	c106990
879	CH₃CCCH₃	2-Butyne	c503173
880	CHCCH₂CH₃	1-Butyne	c107006
881	CH₃CHCHCH₂	methylallyl radical	c4h7
882	C₄H₈	methylcyclopropane	mcp
883	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
884	CH₂CHCH₂CH₃	1-Butene	bute1
885	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
886	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
887	B(CH₃)₃	trimethylborane	bme3
888	Al(CH₃)₃	trimethyl aluminum	tma
889	C(CH₃)₃	Tert-butyl radical	tbutyl
890	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
891	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
892	CH₃CH(CH₃)CH₃	Isobutane	isobutane
893	CH₃CH₂CH₂CH₃	Butane	butane
894	SiH(CH₃)₃	trimethylsilane	trimsi
895	Li₃N	trilithium nitride	li3n
896	C₂N₂	Cyanogen	c2n2
897	C₂N₂⁺	Cyanogen cation	c2n2+
898	P₄	Phosphorus tetramer	p4
899	HCCCN	Cyanoacetylene	hcccn
900	HCCCN⁺	Cyanoacetylene cation	hcccn+
901	C₃H₃N	acrylonitrile	ch2chcn
902	C₃H₃N⁺	acrylonitrile cation	ch2chcn+
903	CH₃N₃	methyl azide	ch3n3
904	NH₂CCNH₂	Diaminoacetylene	daa
905	NH₂CH₂CN	Aminoacetonitrile	aan
906	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
907	CH₅N₃	Guanidine	guanidine
908	C₄H₆	Bicyclo[1.1.0]butane	c157335
909	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
910	CH₆N₃⁺	guanidinium	ch6n3+
911	C₃H₇N	Cyclopropylamine	cpram
912	CH₇N₃	triaminomethane	tam
913	C₃H₇N	Azetidine	azet
914	C₄H₈	cyclobutane	cbutane
915	C₂H₈N₂	Ethylenediamine	ethdiam
916	CH₃NHNHCH₃	dimethyl hydrazine	dmh
917	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
918	N(CH₃)₃	Trimethylamine	trimeam
919	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
920	P(CH₃)₃	trimethylphosphine	tmp
921	As(CH₃)₃	trimethyl arsine	tmas
922	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
923	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
924	Li₂O₂	dilithium dioxide	li2o2
925	Na₂O₂	disodium dioxide	na2o2
926	K₂O₂	dipotassium dioxide	k2o2
927	C₃O	Tricarbon monoxide	c3o
928	B₂O₂	Diboron dioxide	b2o2
929	S₂N₂	Disulfur dinitride	s2n2
930	CO₃	Carbon trioxide	co3
931	CO₃^--	carbonate	co3--
932	CS₃^--	Carbonotrithioate	cs3--
933	NO₃	Nitrogen trioxide	no3
934	NO₃^-	nitrate anion	no3-
935	NO₃⁺	nitrogen trioxide cation	no3+
936	SO₃^-	Sulfur trioxide anion	so3-
937	SO₃⁺	Sulfur trioxide cation	so3+
938	SeO₃	selenium trioxide	seo3
939	TeO₃	Tellurium trioxide	teo3
940	HCO₃^-	bicarbonate anion	hco3-
941	HSO₃	Hydroxysulfonyl radical	hso3
942	NH₂NO₂	nitramide	nh2no2
943	C₂H₂CO	cyclopropenone	c2h2co
944	HCCCHO	2-propynal	hcccho
945	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
946	H₂CO₃	Carbonic acid	h2co3
947	H₂CS₃	thiocarbonic acid	h2cs3
948	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
949	H₂SO₃	Sulfurous acid	h2so3
950	C₂H₃NO	Nitrosoethylene	c2h3no
951	HOCH₂CN	cyanomethanol	hoch2cn
952	CH₃COO^-	acetate anion	ch3coo-
953	CH₃NO₂	Methane, nitro-	ch3no2
954	CH₃ONO	Methyl nitrite	ch3ono
955	NH₂COOH	Carbamic acid	nh2cooh
956	H₃BO₃	Boric acid	h3bo3
957	H₃CO₃⁺	carbonic acid, protonated	h3co3+
958	C₃H₄O	2-Propyn-1-ol	c107197
959	C₃H₄O	allenol	c9000071
960	C₃H₄O	Cyclopropanone	cpone
961	C₃H₄O	Methylketene	c6004440
962	NH₂CONH₂	Urea	urea
963	NH₂CONH₂⁺	Urea cation	urea+
964	NH₂CSNH₂	Thiourea	thiourea
965	C₂H₄O₂	1,3-dioxetane	c2h4o2
966	CH₃COOH	Acetic acid	ch3cooh
967	CH₃OCHO	methyl formate	ch3ocho
968	CHOCH₂OH	hydroxy acetaldehyde	haa
969	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
970	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
971	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
972	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
973	HCOOHH₂O	Formic acid water dimer	hcoohh2o
974	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
975	CH₃COCH₂	Acetonyl radical	ch3coch2
976	CH₃CHNOH	Acetaldoxime	acetaldoxime
977	CH₃CONH₂	Acetamide	acetamide
978	HCONHCH₃	N-methylformamide	nmfa
979	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
980	H₂NCOHNH₂⁺	urea, protonated	ureah+
981	C₂H₅OO	ethylperoxy radical	c2h5oo
982	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
983	C₃H₅OH	Cyclopropanol	cproh
984	C₃H₆O	2-Propen-1-ol	c107186
985	C₃H₆O	Acetone enol	enol
986	C₃H₆O	Oxetane	oxetane
987	C₃H₆O	Propylene oxide	prox
988	CH₃COCH₃	Acetone	acetone
989	CH₃COCH₃^-	acetone anion	ch3coch3-
990	C₃H₆S	Thietane	thietane
991	C₃H₆S	Thiirane, methyl-	methiirane
992	CH₃CSCH₃	Thioacetone	ch3csch3
993	C₂H₆O₂	1,2-Ethanediol	ethdiol
994	CH₃OOCH₃	dimethylperoxide	dmp
995	CH₃SOCH₃	Dimethyl sulfoxide	dmso
996	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
997	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
998	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
999	HOCH₂CH₂NH₂	monoethanolamine	mea
1000	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
1001	CH₃OC₂H₅	Ethane, methoxy-	etome
1002	C₃H₇SH	1-Propanethiol	prsh
1003	CH₃CHSHCH₃	2-Propanethiol	isoprsh
1004	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
1005	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
1006	Na₂F₂	Sodium Fluoride Dimer	na2f2
1007	Na₂Cl₂	Disodium dichloride	na2cl2
1008	C₂F₂	difluoroacetylene	c2f2
1009	C₂Cl₂	dichloroacetylene	c2cl2
1010	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
1011	FNO₂	Nitryl fluoride	fno2
1012	FONO	Nitrosyl hypofluorite	fono
1013	ClNO₂	Nitryl chloride	clno2
1014	ClONO	chlorine nitrite	clono
1015	BrONO	Bromine nitrite	brono
1016	N₂F₂	(Z)-Difluorodiazene	n2f2_z
1017	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
1018	COFCl	Carbonic chloride fluoride	cofcl
1019	CCl₂O	Phosgene	cl2co
1020	Cl₂CS	Thiophosgene	cl2cs
1021	COBr₂	Carbonic dibromide	cobr2
1022	BF₃	Borane, trifluoro-	bf3
1023	BF₃^-	Borane, trifluoro- anion	bf3-
1024	AlF₃	Aluminum trifluoride	alf3
1025	BClF₂	Chlorodifluoroborane	bclf2
1026	AlF₂Cl	Aluminum chloride difluoride	alclf2
1027	ScF₃	Scandium trifluoride	ScF3
1028	AlFCl₂	Aluminum dichloride fluoride	alcl2f
1029	AlCl₃	Aluminum trichloride	alcl3
1030	GaCl₃	Gallium trichloride	gacl3
1031	BBr₃	Boron tribromide	bbr3
1032	AlBr₃	Aluminum Bromide	albr3
1033	ClO₃	Chlorine trioxide	clo3
1034	ClO₃^-	chlorate anion	clo3-
1035	BrO₃^-	Bromate anion	bro3-
1036	CF₃	Trifluoromethyl radical	cf3
1037	CF₃^-	Trifluoromethyl anion	cf3-
1038	CF₃⁺	Trifluoromethyl cation	cf3+
1039	SiF₃	Silicon trifluoride radical	sif3
1040	SiF₃⁺	Silicon trifluoride cation	sif3+
1041	CCl₃	Trichloromethyl radical	ccl3
1042	CCl₃^-	Trichloromethyl anion	ccl3-
1043	CCl₃⁺	Trichloromethyl cation	ccl3+
1044	SiCl₃	trichlorosilyl radical	sicl3
1045	SiCl₃⁺	trichlorosilyl cation	sicl3+
1046	CBr₃	tribromomethyl radical	cbr3
1047	FOOF	Perfluoroperoxide	foof
1048	ClO₂F	Chloryl fluoride	clo2f
1049	F₂SO	Thionyl Fluoride	f2so
1050	ClOOCl	Dichlorine dioxide	cloocl
1051	FSSF	Difluorodisulfane	fssf
1052	S₂F₂	Thio-thionyl fluoride	s2f2
1053	SOCl₂	thionyl chloride	socl2
1054	SeOCl₂	selenium oxychloride	seocl2
1055	NF₃^-	Nitrogen trifluoride anion	nf3-
1056	NF₃⁺	Nitrogen trifluoride cation	nf3+
1057	PF₃	Phosphorus trifluoride	pf3
1058	NCl₃	nitrogen trichloride	ncl3
1059	AsF₃	Arsenic trifluoride	asf3
1060	PCl₃	Phosphorus trichloride	pcl3
1061	SbF₃	Antimony Trifluoride	sbf3
1062	AsCl₃	Arsenous trichloride	ascl3
1063	SbCl₃	Antimony Trichloride	sbcl3
1064	PBr₃	Phosphorus tribromide	pbr3
1065	AsBr₃	Arsenic tribromide	asbr3
1066	NI₃	Nitrogen triiodide	ni3
1067	PI₃	Phosphorus triiodide	pi3
1068	ClSSCl	Disulfur dichloride	s2cl2
1069	SF₃	Sulfur trifluoride	sf3
1070	ClF₃	Chlorine trifluoride	clf3
1071	BrF₃	Bromine trifluoride	brf3
1072	IF₃	iodone trifluoride	if3
1073	HClO₃	Chloric Acid	hclo3
1074	CHF₂Cl	difluorochloromethane	chf2cl
1075	CHFCl₂	fluorodichloromethane	chfcl2
1076	CDCl₃	trichloromethane-d	cdcl3
1077	CHCl₃	Chloroform	chcl3
1078	SiHCl₃	Trichlorosilane	sihcl3
1079	CHFClBr	fluorochlorobromomethane	chfclbr
1080	CHF₂I	difluoroiodomethane	chf2i
1081	CHFClI	fluorochloroiodomethane	chfcli
1082	CHCl₂I	dichloroiodomethane	chcl2i
1083	CHClBr₂	Methane, dibromochloro-	chclbr2
1084	CHBr₃	bromoform	chbr3
1085	CHI₃	Iodoform	chi3
1086	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
1087	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
1088	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1089	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
1090	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
1091	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
1092	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1093	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1094	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
1095	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
1096	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
1097	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
1098	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1099	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1100	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
1101	CH₃COF	Acetyl fluoride	ch3cof
1102	CH₂ClCHO	chloroacetaldehyde	ch2clcho
1103	CH₃COCl	Acetyl Chloride	ch3cocl
1104	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1105	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1106	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1107	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
1108	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
1109	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
1110	CH₂CFCH₃	2-fluoropropene	2fpro
1111	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
1112	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
1113	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
1114	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
1115	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
1116	CH₃CHFCH₃	2-Fluoropropane	prf2
1117	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
1118	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
1119	CH₃CH₂CH₂Br	n-propyl bromide	prbr
1120	CH₃CHBrCH₃	i-propyl bromide	iprbr
1121	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
1122	B₅H₉	pentaborane9	b5h9
1123	C₅H₅	cyclopentadienyl radical	c5h5
1124	C₅H₅^-	cylopentadienyl anion	c5h5-
1125	C₅H₆	1,3-Cyclopentadiene	c542927
1126	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
1127	C₅H₆	3-Penten-1-yne, (E)-	c2004695
1128	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
1129	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
1130	C₅H₆	Cyclopropylacetylene	c6746947
1131	C₅H₆	Propellane	propellane
1132	C₅H₇	1,3-pentadienyl radical	pdyl
1133	C₅H₇	cyclopentenyl radical	cpyl
1134	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
1135	C₅H₈	1,2-Pentadiene	c591957
1136	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
1137	C₅H₈	1,3-Pentadiene, (E)-	c2004708
1138	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
1139	C₅H₈	1,4-Pentadiene	c591935
1140	C₅H₈	1-pentyne	a1pentyne
1141	C₅H₈	2,3-Pentadiene	c591968
1142	C₅H₈	Bicyclo[1.1.1]pentane	bcp
1143	C₅H₈	Cyclobutane, methylene-	c1120565
1144	C₅H₈	Cyclopentene	c142290
1145	C₅H₈	Ethenylcyclopropane	c693867
1146	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
1147	C₅H₁₀	1-Butene, 2-methyl-	c563462
1148	C₅H₁₀	2-Butene, 2-methyl-	c513359
1149	C₅H₁₀	2-Pentene, (E)-	c646048
1150	C₅H₁₀	2-Pentene, (Z)-	c627203
1151	C₅H₁₀	Cyclopentane	c287923
1152	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
1153	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
1154	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
1155	C₅H₁₂	Butane, 2-methyl-	buta2
1156	C₅H₁₂	Pentane	pentane
1157	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
1158	Si(CH₃)₄	tetramethylsilane	tms
1159	N₂O₃	Dinitrogen trioxide	n2o3
1160	C₃H₂N₂	Malononitrile	c3h2n2
1161	CH₂N₄	1H-Tetrazole	1htz
1162	C₃H₃N₂	imidazolyl radical	im
1163	C₃H₃N₂^-	imidizolyl anion	im-
1164	C₂H₃N₃	1H-1,2,4-Triazole	c288880
1165	C₄H₄N	pyrrolide radical	c4h4n
1166	C₄H₄N^-	pyrrolide anion	c4h4n-
1167	C₃H₄N₂	1H-Imidazole	1himidaz
1168	C₃H₄N₂	1H-Pyrazole	1hpyraz
1169	C₃H₄N₂	2H-Imidazole	imid2h
1170	C₃H₄N₂	4H-Imidazole	imid4h
1171	C₄H₅N	(E)-2-Butenenitrile	c627269
1172	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1173	C₄H₅N	2H-pyrrole	pyrrole2
1174	C₄H₅N	3H-pyrrole	pyrrole3
1175	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1176	C₄H₅N	Pyrrole	pyrrole
1177	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1178	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1179	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1180	C₄H₆N⁺	pyrrole, protonated	ppyr
1181	C₃H₆N₂	3-Aminopropionitrile	c151188
1182	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1183	CH₃CH₂CH₂CN	Butanenitrile	c109740
1184	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1185	C₅H₈	Spiropentane	c157404
1186	C₄H₉N	Cyclobutylamine	cbam
1187	C₄H₉N	Pyrrolidine	pyrrolidine
1188	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1189	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1190	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1191	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1192	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1193	NH(C₂H₅)₂	diethylamine	dea
1194	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1195	C₃O₂⁺	Carbon suboxide cation	c3o2+
1196	MgCO₃	Magnesium Carbonate	mgco3
1197	BeCO₃	Beryllium Carbonate	beco3
1198	CaCO₃	Calcium Carbonate	caco3
1199	ONONO	Nitrosyl nitrite	onono
1200	PO₄^---	phosphate	po4---
1201	SO₄^--	sulfate	so4--
1202	HOONO₂	peroxy nitric acid	hoono2
1203	HSO₄^-	bisulfate anion	hso4-
1204	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1205	C₃H₂O₂	Propiolic acid	c3h2o2
1206	CHOCOOH	oxo acetic acid	oaa
1207	H₂SO₄	Sulfuric acid	h2so4
1208	H₂SeO₄	Selenic acid	h2seo4
1209	C₃H₃NO	Oxazole	oxazole
1210	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1211	CH₃NO₃	Methyl nitrate	ch3no3
1212	H₃PO₄	Phosphoric Acid	h3po4
1213	C₄H₄O	Furan	furan
1214	C₄H₄O⁺	Furan cation	furan+
1215	CH₃COCCH	3-butyn-2-one	c1423605
1216	C₄H₄S	Thiophene	furans
1217	C₃H₄O₂	β–Propiolactone	beta
1218	C₃H₄O₂	2-Propenoic acid	propenoic2
1219	C₃H₄O₂	Methyl glyoxal	megly
1220	C₃H₄O₂	propanedial	propanedial
1221	C₃H₄O₂	propenalol	propenalol
1222	HOCHCCHOH	allenediol	aldiol
1223	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1224	C₂H₄O₃	trioxolane124	triox
1225	HOCH₂COOH	Hydroxyacetic acid	hac
1226	CH₂CHCONH₂	Acrylamide	c79061
1227	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1228	CH₅N₃S	Hydrazinecarbothioamide	c79196
1229	H₂NCH₂COOH	Glycine	glycine
1230	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1231	C₄H₆O	cis-2-butenal	butenal2c
1232	C₄H₆O	Cyclobutanone	cbutone
1233	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1234	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1235	CH₂CHOCHCH₂	Vinyl ether	vinylether
1236	CHOCHCHCH₃	2-Butenal	butenal2
1237	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1238	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1239	CH₂CHSCHCH₂	Divinyl sulfide	divis
1240	C₂H₆N₂O	Urea, methyl-	c598505
1241	C₃H₆O₂	1,3-Dioxolane	dioxolane
1242	CH₃CH₂COOH	Propanoic Acid	propanoic
1243	CH₃COOCH₃	methyl acetate	aame
1244	HCOOC₂H₅	Ethyl formate	faee
1245	C₂H₆O₂S	Dimethyl sulfone	c67710
1246	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1247	C₃H₇NO	dimethylformamide	dmf
1248	C₃H₇NO	Propanamide	propanam
1249	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1250	C₄H₈O	Cyclobutanol	c2919235
1251	C₄H₈O	Furan, tetrahydro-	thf
1252	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1253	CH₃COCH₂CH₃	2-Butanone	buta2one
1254	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1255	CHOCH₂CH₂CH₃	Butanal	butanal
1256	C₄H₈S	Thiophene, tetrahydro-	tht
1257	C₃H₈O₂	1,3-Propanediol	c504632
1258	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1259	C₃H₈O₂	Methane, dimethoxy-	c109875
1260	C₃H₈O₂	Propylene glycol	c57556
1261	C₃H₈S₂	1,3-Propanedithiol	c109808
1262	C₄H₁₀O	1-Butanol	butanol1
1263	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1264	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1265	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1266	C₄H₁₀O	Ethoxy ethane	etoet
1267	C₄H₁₀O	Methyl propyl ether	meopr
1268	C₄H₁₀O	Propane, 2-methoxy-	c598538
1269	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1270	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1271	C₂H₅SC₂H₅	Diethyl sulfide	etset
1272	C₄H₉SH	1-Butanethiol	bush
1273	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1274	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1275	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1276	FNO₃	Fluorine nitrate	fno3
1277	ClONO₂	Chlorine nitrate	clono2
1278	BrONO₂	Bromine nitrate	brono2
1279	TiCl₄	Titanium tetrachloride	ticl4
1280	ClO₄^-	perchlorate anion	clo4-
1281	BF₄^-	tetrafluoroboron anion	bf4-
1282	ClFO₃	Perchloryl fluoride	clfo3
1283	SO₂F₂	Sulfuryl fluoride	so2f2
1284	SO₂Cl₂	Sulfuryl chloride	so2cl2
1285	F₃NO	Nitrogen trifluoride oxide	f3no
1286	F₃PO	Phosphoryl fluoride	pf3o
1287	Cl₃PO	Phosphoryl chloride	pcl3o
1288	CF₄	Carbon tetrafluoride	cf4
1289	SiF₄	Silicon tetrafluoride	sif4
1290	TiF₄	Titanium tetrafluoride	tif4
1291	CFCl₃	Trichloromonofluoromethane	cfcl3
1292	CCl₄	Carbon tetrachloride	ccl4
1293	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1294	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1295	SiCl₄	Silane, tetrachloro-	sicl4
1296	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1297	CF₃I	trifluoroiodomethane	cf3i
1298	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1299	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1300	GeCl₄	Germanium Tetrachloride	gecl4
1301	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1302	CCl₃I	trichloroiodomethane	ccl3i
1303	CFBr₃	fluorotribromomethane	cfbr3
1304	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1305	CBr₃Cl	tribromochloromethane	cbr3cl
1306	CF₂I₂	difluorodiiodomethane	cf2i2
1307	CBr₄	Carbon tetrabromide	cbr4
1308	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1309	SiBr₄	Silicon tetrabromide	sibr4
1310	CBr₃I	tribromoiododmethane	cbr3i
1311	GeBr₄	Germanium tetrabromide	gebr4
1312	CI₄	tetraiodomethane	ci4
1313	SiI₄	silicon tetraiodide	sii4
1314	ClOF₃	Chlorine trifluoride oxide	clof3
1315	SeF₄	Selenium tetrafluoride	sef4
1316	SCl₄	Sulfur tetrachloride	scl4
1317	C₂HF₃	Trifluoroethylene	c2hf3
1318	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
1319	CHClCCl₂	Trichloroethylene	chclccl2
1320	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1321	HClO₄	perchloric acid	hclo4
1322	HSO₃F	Fluorosulfonic acid	hso3f
1323	CF₃OH	trifluoromethanol	cf3oh
1324	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1325	CHClCCHCl	1,3-dichloroallene	chclcchcl
1326	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1327	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1328	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1329	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1330	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1331	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1332	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1333	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1334	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1335	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1336	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1337	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1338	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1339	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1340	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1341	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1342	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1343	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1344	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1345	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1346	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1347	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1348	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1349	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1350	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1351	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1352	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1353	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1354	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1355	C₄H₉F	1-fluorobutane	butaf1
1356	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1357	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1358	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1359	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1360	XeF₄	Xenon tetrafluoride	xef4
1361	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1362	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1363	C₆H₂	hexatriyne	c6h2
1364	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1365	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1366	C₆H₄	Benzyne	benzyne
1367	C₆H₅	phenyl	phenyl
1368	C₆H₅^-	phenyl anion	phenyl-
1369	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1370	C₆H₆	2,4-Hexadiyne	hexadiyne
1371	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1372	C₆H₆	Benzene	benzene
1373	C₆H₆	Benzvalene	bv
1374	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1375	C₆H₆	Trimethylenecycopropane	tmcp
1376	C₆H₆⁺	Benzene cation	c6h6+
1377	C₆H₇⁺	benzene, protonated	c6h7+
1378	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1379	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1380	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1381	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1382	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1383	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1384	C₆H₈	3-Methylenecyclopentene	c930267
1385	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1386	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1387	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1388	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1389	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1390	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1391	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1392	C₆H₁₀	1,5-Hexadiene	c592427
1393	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1394	C₆H₁₀	1-Hexyne	hexyne1
1395	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1396	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1397	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1398	C₆H₁₀	2-Hexyne	c764352
1399	C₆H₁₀	3-Hexyne	hexyne3
1400	C₆H₁₀	cyclohexene	cyclohexene
1401	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1402	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1403	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1404	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1405	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1406	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1407	C₆H₁₂	(E)-2-Hexene	e2hexene
1408	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1409	C₆H₁₂	(E)-hex-3-ene	e3hexene
1410	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1411	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1412	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1413	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1414	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1415	C₆H₁₂	3-methylenepentane	c760214
1416	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1417	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1418	C₆H₁₂	Cyclohexane	cyclohexane
1419	C₆H₁₂	Cyclopentane, methyl-	c96377
1420	C₆H₁₂	Ethylcyclobutane	c4806615
1421	C₆H₁₂	hex-1-ene	hexene1
1422	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1423	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1424	C₆H₁₄	Hexane	hexane
1425	C₆H₁₄	Pentane, 2-methyl-	penta2
1426	C₆H₁₄	Pentane, 3-methyl-	penta3
1427	C₄N₂	2-Butynedinitrile	c4n2
1428	C₄H₂N₂	Fumaronitrile	c4h2n2
1429	C₂H₂N₄	sym-tetrazine	ttz
1430	C₃H₃N₃	1,3,5-Triazine	triazine135
1431	CH₃N₅	5-Aminotetrazole	c4418615
1432	C₄H₄N₂	1,3-Diazine	diazine13
1433	C₄H₄N₂	Pyrazine	pyrazine
1434	C₄H₄N₂	Pyridazine	pyridazine
1435	C₄H₄N₂	Succinonitrile	c110612
1436	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1437	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1438	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1439	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1440	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1441	C₅H₅N	Pyridine	pyridine
1442	B₃N₃H₆	borazine	borazine
1443	C₆H₆	Fulvene	fulvene
1444	C₅H₆N⁺	Pyridinium	c5h6n
1445	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1446	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1447	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1448	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1449	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1450	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1451	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1452	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1453	C₅H₉N	Pentanenitrile	c110598
1454	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1455	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1456	C₅H₁₁N	Cyclopentanamine	cypentam
1457	C₅H₁₁N	Piperidine	piper
1458	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1459	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1460	Li₂CO₃	Lithium Carbonate	li2co3
1461	Na₂CO₃	Sodium Carbonate	na2co3
1462	C₂O₄^--	oxalate anion	c2o4
1463	MgSO₄	Magnesium Sulfate	mgso4
1464	C₂H₂O₄	Oxalic Acid	oxalic
1465	C₂H₃NO₃	Oxamic acid	oxamic
1466	C₄H₄O₂	2(5H)-Furanone	furanone
1467	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1468	C₂H₄N₂O₂	Oxalamide	oxalamide
1469	C₂H₄N₂S₂	Ethanedithioamide	c79403
1470	C₂H₄CO₃	Ethylene carbonate	etco3
1471	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1472	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1473	C₂H₄O₄	Formic acid dimer	fadimer
1474	C₄H₅NO	3-Methylisoxazole	isox3m
1475	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1476	C₄H₅NS	4-Methylthiazole	c693958
1477	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1478	C₅H₆O	2H-Pyran	pyran2
1479	C₅H₆O	2-methylfuran	furan2m
1480	C₅H₆O	3-Methylfuran	furan3m
1481	C₅H₆O	Pentadienal	pdal
1482	C₅H₆S	Thiophene, 2-methyl-	c554143
1483	C₅H₆S	Thiophene, 3-methyl-	c616444
1484	C₄H₆O₂	γ–Butyrolactone	c96480
1485	C₄H₆O₂	2,3-Butanedione	c431038
1486	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1487	C₄H₆O₂	Crotonic Acid	crot
1488	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1489	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1490	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1491	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1492	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1493	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1494	C₄H₆OS	Vinyl sulfoxide	c1115157
1495	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1496	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1497	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1498	C₃H₆O₃	1,3,5-Trioxane	trioxane
1499	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1500	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1501	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1502	C₄H₇NO	2-Pyrrolidinone	c616455
1503	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1504	C₄H₇NO	Methacrylamide	c79390
1505	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1506	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1507	C₃H₇ONO	Propyl nitrite	prono
1508	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1509	CH₃CH(NH₂)COOH	Alanine	alanine
1510	CH₃NHCH₂COOH	Sarcosine	sarcosine
1511	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1512	NH₂COOC₂H₅	Urethane	urethane
1513	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1514	C₅H₈O	Cyclopentanone	c120923
1515	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1516	C₅H₈O	Methyl cyclopropyl ketone	c765435
1517	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1518	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1519	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1520	C₄H₈O₂	1,3-Dioxane	dioxan13
1521	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1522	C₄H₈O₂	1,4-Dioxane	dioxan14
1523	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1524	C₄H₈O₂	Ethyl acetate	c141786
1525	C₄H₈OS	s-Ethyl thioacetate	c625605
1526	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1527	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1528	C₄H₉NO	Butanamide	c541355
1529	C₄H₉NO	Propanamide, 2-methyl-	c563837
1530	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1531	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1532	C₅H₁₀O	2-methylbutyraldehyde	2meba
1533	C₅H₁₀O	2-Pentanone	mpk
1534	C₅H₁₀O	3-Pentanone	dek
1535	C₅H₁₀O	Cyclopentanol	c96413
1536	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1537	C₅H₁₀O	Pentanal	pal
1538	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1539	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1540	C₅H₁₀S	Cyclopentanethiol	c1679078
1541	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1542	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1543	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1544	C₄H₁₀O₂	1,3-Butanediol	budiol13
1545	C₄H₁₀O₂	1,4-Butanediol	budiol14
1546	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1547	C₄H₁₀OS	Diethyl sulfoxide	c70291
1548	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1549	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1550	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1551	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1552	C₅H₁₂O	1-Pentanol	pentanol1
1553	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1554	C₅H₁₂O	2-Pentanol	peol2
1555	C₅H₁₂O	3-Pentanol	pentan3ol
1556	C₅H₁₂O	Butane, 1-methoxy-	meobu
1557	C₅H₁₂O	Propane, 1-ethoxy-	proet
1558	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1559	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1560	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1561	C₅H₁₂S	1-Pentanethiol	c110667
1562	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1563	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1564	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1565	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1566	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1567	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1568	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1569	C₄F₂	difluorobutadiyne	c4f2
1570	ClCOClCO	Oxalyl chloride	oxcl
1571	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1572	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1573	B₂F₄	Diboron tetrafluoride	b2f4
1574	B₂Cl₄	Diboron tetrachloride	b2cl4
1575	C₂F₄	Tetrafluoroethylene	c2f4
1576	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1577	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1578	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1579	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1580	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1581	C₂FCl₃	fluorotrichloroethene	c2fcl3
1582	C₂Cl₄	Tetrachloroethylene	c2cl4
1583	C₂Br₄	tetrabromoethene	c2br4
1584	CF₃OF	Trifluoromethylhypofluorite	cf3of
1585	SiF₅^-	silicon pentafluoride anion	sif5-
1586	SOF₄	Sulfur tetrafluoride oxide	sof4
1587	PF₅	Phosphorus pentafluoride	pf5
1588	AsF₅	Arsenic pentafluoride	asf5
1589	PCl₅	Phosphorus pentachloride	pcl5
1590	SF₅	Sulfur pentafluoride	sf5
1591	SF₅⁺	pentafluoro sulfur cation	sf5+
1592	SbCl₅	Antimony pentachloride	sbcl5
1593	BrF₅	bromine pentafluoride	brf5
1594	ClF₅	chlorinepentafluoride	clf5
1595	IF₅	pentafluoroiodine	if5
1596	CF₃CHO	trifluoroacetaldehyde	cf3cho
1597	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1598	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1599	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1600	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1601	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1602	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1603	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1604	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1605	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1606	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1607	CF₃COOH	trifluoroacetic acid	cf3cooh
1608	C₄H₃ClO	Furan, 2-chloro	fur2cl
1609	C₄H₃ClO	Furan,3-chloro	fur3cl
1610	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1611	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1612	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1613	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1614	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1615	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1616	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1617	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1618	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1619	C₄H₈O₂	Butanoic acid	bua
1620	C₆H₅CH₂	benzyl radical	benzyl
1621	C₇H₇	cycloheptatrienyl radical	c7h7
1622	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1623	C₆H₅CH₃	toluene	toluene
1624	C₇H₈	cycloheptatriene	cht
1625	C₇H₈	Norbornadiene	norbor
1626	C₇H₈	Quadricyclane	qucy
1627	C₇H₁₂	Norbornane	nor
1628	C₇H₁₄	cycloheptane	c7h14
1629	C₇H₁₆	2-methylhexane	2mhex
1630	C₇H₁₆	3-methylhexane	hex3m
1631	C₇H₁₆	heptane	heptane
1632	CH(CN)₃	tricyanomethane	mecn3
1633	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1634	C₆H₇N	2-Methylpyridine	mp
1635	C₆H₅NH₂	aniline	aniline
1636	C₆H₁₃N	2-Methylpiperidine	pip2m
1637	C₆H₁₃N	cyclohexanamine	cham
1638	C₆H₁₅N	triethylamine	tea
1639	N₂O₅	Dinitrogen pentoxide	n2o5
1640	C₄H₂O₃	Maleic Anhydride	malan
1641	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1642	C₅H₄O₂	furfural	furfural
1643	C₆H₅O	phenoxy radical	phenoxy
1644	C₅H₅NO	2(1H)-Pyridinone	c72762006
1645	C₅H₅NO	2(3H)-Pyridinone	c9000048
1646	C₅H₅NO	2(5H)-Pyridinone	c9000037
1647	C₅H₅NO	2-Pyridinol	c109104
1648	C₅H₅NO	3(2H)-Pyridinone	c9000004
1649	C₅H₅NO	3(4H)-Pyridinone	c9000026
1650	C₅H₅NO	3(6H)-Pyridinone	c9000015
1651	C₅H₅NO	3-Pyridinol	c109002
1652	C₅H₅NO	4(1H)-Pryidinone	c9000060
1653	C₅H₅NO	4(3H)-Pryidinone	c9000059
1654	C₅H₅NO	4-Pyridinol	c626642
1655	C₆H₅OH	phenol	phenol
1656	C₆H₆O	2,4-Cyclohexadienone	c24599573
1657	C₆H₆O	2,5-Cyclohexadienone	c5664335
1658	C₆H₅SH	Benzenethiol	phsh
1659	HO₂CCHNH₂CH₂OH	Serine	serine
1660	C₅H₈O₂	Acetylacetone	acac
1661	C₄H₈O₂S	Sulfolane	sulfolane
1662	C₇H₁₀	Norbornene	norbornene
1663	CH(C₂H₃)₃	trivinyl methane	tvm
1664	C₆H₁₀O	cyclohexanone	chexo
1665	C₆H₁₂O	hexanal	c6h12o
1666	C₆H₁₂O	Oxepane	oxepane
1667	C₃H₇OC₃H₇	di-n-propyl ether	propr
1668	F₂CCCF₂	tetrafluoroallene	pfa
1669	CF₃COO^-	trifluoro acetate anion	cf3coo-
1670	CF₃COF	trifluoroacetyl fluoride	cf3cof
1671	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1672	PF₆	Hexafluorophosphate neutral	pf6
1673	PF₆^-	Hexafluorophosphate ion	pf6-
1674	SeF₆	Selenium hexafluoride	sef6
1675	SF₅Cl	sulfur chloropentafluoride	sf5cl
1676	CF₃CHF₂	pentafluoroethane	cf3chf2
1677	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1678	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1679	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1680	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1681	C₆H₅F	Fluorobenzene	bzf
1682	C₆H₅Cl	chlorobenzene	bzcl
1683	C₆H₅Br	bromobenzene	bzbr
1684	C₈H₆	Calicene	calicene
1685	C₆H₅CCH	phenylacetylene	phac
1686	C₈H₆	benzocyclobutadiene	bcbd
1687	C₈H₆	Pentalene	pentalene
1688	C₆H₅CHCH₂	Styrene	styrene
1689	C₈H₈	cubane	cubane
1690	C₈H₈	cyclooctatetraene	cot
1691	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1692	CH₃C₆H₄CH₃	meta-xylene	mxylene
1693	CH₃C₆H₄CH₃	paraxylene	pxylene
1694	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1695	C₈H₁₆	cyclooctane	cyclooct
1696	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1697	C₈H₁₈	Octane	c8h18
1698	C₆H₅CN	phenyl cyanide	phcn
1699	C₆H₁₂N₂	Triethylenediamine	ted
1700	C₄O₄^--	squarate dianion	c4o4--
1701	S₄N₄	Tetrasulfur tetranitride	s4n4
1702	S₈	Octasulfur	s8
1703	C₆H₄O₂	parabenzoquinone	pbq
1704	C₄H₄N₂O₂	Uracil	uracil
1705	C₆H₅OCH₃	Anisole	anisole
1706	C₅H₉NO₂	Proline	proline
1707	C₆H₁₂O₂	Methyl pivalate	c598981
1708	C₆H₁₂O₂	Hexanoic acid	hexa
1709	C₄F₄	tetrafluorcyclobutadiene	c4f4
1710	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1711	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1712	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1713	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1714	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1715	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1716	C₂F₆	hexafluoroethane	c2f6
1717	C₂Cl₆	hexachloroethane	c2cl6
1718	IF₇	Iodine heptafluoride	if7
1719	C₆H₄F₂	metadifluorobenzene	mdfb
1720	C₆H₄F₂	orthodifluorobenzene	odfb
1721	C₆H₄F₂	1,4-difluorobenzene	pdfb
1722	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1723	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1724	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1725	C₆H₅NO	nitrosobenzene	bzno
1726	C₉H₈	Indene	indene
1727	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1728	C₉H₁₂	n-propyl benzene	prbz
1729	C₉H₂₀	Nonane	nonane
1730	C(CN)₄	tetracyanomethane	c5n4
1731	C₅H₄N₄	purine	purine
1732	C₈H₇N	Indole	indole
1733	C₃H₃N₃O₃	cyanuric acid	cyanuric
1734	C₆H₅NO₂	Nitrobenzene	c6h5no2
1735	C₆H₅COOH	benzoic acid	benzo
1736	CH₃COC₆H₅	acetophenone	acph
1737	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1738	C₃F₆	hexafluoropropene	c3f6
1739	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1740	C₈H₁₈O	1-Octanol	octanol
1741	C₁₀H₈	Azulene	azu
1742	C₁₀H₈	naphthalene	naph
1743	C₁₀H₁₀	bullvalene	bullv
1744	C₁₀H₁₆	adamantane	adamantane
1745	C₆N₄	Tetracyanoethylene	tcne
1746	C₆N₄^-	tetracyanoethylene anion	tcne-
1747	C₁₀H₂₂	Decane	decane
1748	C₄F₆	perfluorobutadiene	c4f6
1749	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1750	C₃F₈	perfluoropropane	c3f8
1751	Fe(CO)₅	Iron pentacarbonyl	ipc
1752	Fe(C₅H₅)₂	ferrocene	fecp2
1753	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1754	C₁₂H₈	Acenaphthylene	acenaph
1755	C₁₂H₈	biphenylene	biph
1756	C₁₂H₁₀	biphenyl	biphenyl
1757	C₁₂H₁₀	Heptalene	heptalene
1758	C₆H₁₂O₆	Inositol	inositol
1759	C₆F₆	hexafluorobenzene	c6f6
1760	S₂F₁₀	disulphur decafluoride	s2f10
1761	C₁₃H₁₀	Fluorene	fluorene
1762	C₁₄H₁₀	Anthracene	anth
1763	C₁₄H₁₀	Phenanthrene	phenanthrene
1764	C₁₄H₁₄	Bibenzyl	bibenzyl
1765	C₁₂H₁₀N₂	azobenzene	azobenzene
1766	C₆H₅COC₆H₅	benzophenone	benzophenone
1767	C₁₆H₁₀	Pyrene	pyrene
1768	C₁₈H₁₂	Tetracene	tetracene
1769	C₁₉H₁₆	Triphenylmethane	tpm
1770	C₂₄H₁₂	Coronene	coronene
1771	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