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

List of which calculations are completed at MP3=FULL /3-21G*

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
4	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
5	He	Helium atom	¹S	K_h
6	He	Helium atom
7	He⁺	Helium atom cation	²S	K_h
8	HeH⁺	Helium hydride cation	¹Σ	C_∞v
9	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
10	Li^-	Lithium atom anion	¹S	K_h
11	LiH⁺	lithium hydride cation	²Σ	C_∞v
12	KH	Potassium hydride	¹Σ	C_∞v
13	MgH	magnesium monohydride	²Σ	C_∞v
14	ZnH⁺	Zinc, protonated
15	BeH₂⁺	Beryllium dihydride cation
16	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
17	Al	Aluminum atom	²P	K_h
18	Al^-	Aluminum atom anion	³P	K_h
19	Al⁺	Aluminum atom cation	¹S	K_h
20	BH	Boron monohydride	¹Σ	C_∞v
21	BH	Boron monohydride	³Π	C_∞v
22	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
23	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
24	BH₃⁺	boron trihydride cation	²B₂	C_2v
25	BH₃⁺	boron trihydride cation		C_2v
26	AlH₃	aluminum trihydride	¹A₁^'	D_3h
27	AlH₃^-	aluminum trihydride anion		C_3v
28	BH₄	borohydride	²B₂	C_2v
29	BH₄^-	borohydride anion	¹A₁	T_d
30	C	Carbon atom	³P₀	K_h
31	Si^-	Silicon atom anion	⁴S	K_h
32	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
33	GeH	germylidene	²Π	C_∞v
34	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
35	CH₂^-	methylene anion	²B₁	C_2v
36	GeH₂	germylene	¹A₁	C_2v
37	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
38	CH₄	Methane	¹A₁	T_d
39	CH₄^-	Methane anion	²A₁	T_d
40	SiH₂D₂	silane-d2
41	SiH₄	Silane	¹A₁	T_d
42	GeH₄	Germane	¹A₁	T_d
43	SiH₅⁺	Silane, protonated
44	N	Nitrogen atom	⁴S	K_h
45	P	Phosphorus atom	⁴S	K_h
46	V⁺	Vanadium atom cation	⁵D	K_h
47	As	Arsenic atomic	⁴S	K_h
48	As^-	Arsenic anion	³P	K_h
49	As⁺	Arsenic cation	³P	K_h
50	PH	phosphorus monohydride	³Σ^-	C_∞v
51	NH₂	Amino radical	²B₁	C_2v
52	NH₂⁺	Amino cation	³B₁	C_2v
53	NH₂⁺	Amino cation	¹A₁	C_2v
54	NH₃	Ammonia	¹A₁	C_3v
55	NH₃^-	Ammonia anion	²A₁	C_3v
56	PH₃	Phosphine	¹A₁	C_3v
57	PH₃⁺	Phosphine cation	²A₁	C_3v
58	NH₄	Ammonium radical
59	NH₄⁺	ammonium cation	¹A₁	T_d
60	PH₄	Phosphoranyl radical
61	PH₄⁺	phosphonium cation
62	O	Oxygen atom	³S	K_h
63	S	Sulfur atom	³P	K_h
64	S	Sulfur atom
65	S^-	Sulfur atom anion	²P	K_h
66	S⁺	Sulfur atom cation	⁴S	K_h
67	Se	Selenium atom	³P	K_h
68	Se^-	Selenium atom anion	²P	K_h
69	Se⁺	Selenium atom cation	⁴S	K_h
70	Te	Tellurium atom
71	OH	Hydroxyl radical	²Π	C_∞v
72	OH^-	hydroxide anion	¹Σ	C_∞v
73	OH⁺	hydoxyl cation	³Σ	C_∞v
74	HS^-	mercapto anion	¹Σ	C_∞v
75	HS⁺	sulfur monohydride cation	³Σ	C_∞v
76	CrH	Chromium hydride	⁶Σ	C_∞v
77	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
78	HSe	Selenium monohydride	²Π	C_∞v
79	HSe^-	selenium monohydride anion	¹Σ	C_∞v
80	HSe⁺	selenium monohydride cation	³Σ	C_∞v
81	H₂O	Water	¹A₁	C_2v
82	H₂O^-	water anion	²A₁	C_2v
83	H₂O^-	water anion	²A^'	C_s
84	H₂O⁺	water cation	²B₁	C_2v
85	HDO	Water-d1	¹A₁	C_2v
86	H₂S	Hydrogen sulfide	¹A₁	C_2v
87	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
88	H₂Se	Hydrogen selenide	¹A₁	C_2v
89	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
90	H₃O⁺	hydronium cation	¹A₁	C_3v
91	H₃S⁺	Sulfonium cation	¹A₁	C_3v
92	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
93	F	Fluorine atom	²P	K_h
94	F^-	Fluorine atom anion	¹S	K_h
95	F⁺	Fluorine atom cation	³S	K_h
96	F⁺	Fluorine atom cation	¹D	K_h
97	Cl	Chlorine atom	²P	K_h
98	Cl^-	Chlorine atom anion	¹S	K_h
99	Cl⁺	Chlorine atom cation	³P	K_h
100	Cl⁺	Chlorine atom cation	¹D	K_h
101	Br	Bromine atom	²P	K_h
102	Br^-	Bromine atom anion	¹S	K_h
103	Br⁺	Bromine atom cation	³P	K_h
104	HCl⁺	hydrogen chloride cation	²Π	C_∞v
105	HBr	hydrogen bromide	¹Σ	C_∞v
106	HBr^-	hydrogen bromide anion	²Σ	C_∞v
107	HBr⁺	hydrogen bromide cation	²Π	C_∞v
108	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
109	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
110	Ne	Neon atom	¹S	K_h
111	Ne	Neon atom
112	Kr	Krypton atom	¹S	K_h
113	Kr⁺	Krypton cation	²P	K_h
114	Xe	Xenon atom	¹S	K_h
115	HeLi⁺	Helium Lithium cation
116	ArH⁺	Argon hydride cation	¹Σ	C_∞v
117	KrH⁺	Protonated Krypton	¹Σ	C_∞v
118	XeH⁺	Xenon, protonated	¹Σ	C_∞v
119	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
120	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
121	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
122	NaK⁺	Sodium Potassium diatomic cation		1
123	BeMg	Beryllium Magnesium	¹Σ	C_∞v
124	LiAl	Lithium Aluminum
125	NaAl	Sodium aluminum	¹Σ	C_∞v
126	BAl	Boron Aluminum	³Σ	C_∞v
127	BGa	Boron Gallium	³Σ	C_∞v
128	AlGa	Aluminum Gallium	³Σ	C_∞v
129	AlGa	Aluminum Gallium	¹Σ	C_∞v
130	HBBH	Diborane(2)	³Σ_G	D_∞h
131	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
132	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
133	B₂H₆	Diborane	¹A_g	D_2h
134	B₂H₆⁺	Diborane cation
135	CaC	Calcium monocarbide
136	BSi	Boron silicide	⁴Σ	C_∞v
137	BSi	Boron silicide	²Σ	C_∞v
138	SiGe	Silicon Germanium
139	C₂H	Ethynyl radical	²Σ	C_∞v
140	C₂H^-	Ethynyl anion	¹Σ	C_∞v
141	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
142	C₂H₂⁺	acetylene cation
143	H₂CC^-	vinylidene anion
144	HCCH^-	acetylene anion
145	HCCH^-	acetylene anion
146	CH₃Li	methyl lithium	¹A₁	C_3v
147	CH₂BH	methyleneborane	¹A₁	C_2v
148	C₂H₃	vinyl	²A^'	C_s
149	C₂H₃^-	vinyl anion	¹A^'	C_s
150	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
151	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
152	C₂H₄⁺	Ethylene cation	²B₃	D₂
153	Si₂H₄	Disilene
154	CH₃BH₂	methylborane	¹A^'	C_s
155	C₂H₅	Ethyl radical	²A^'	C_s
156	C₂H₆	Ethane	¹A_1g	D_3d
157	Si₂H₆	disilane	¹E_u	D_3d
158	LiP	Lithium monophosphide
159	LiP	Lithium monophosphide
160	MgN	Magnesium Nitride
161	MgN	Magnesium Nitride
162	BP	Boron monophosphide	³Π	C_∞v
163	BP	Boron monophosphide	¹Σ	C_∞v
164	GaP	Gallium monophosphide	³Σ	C_∞v
165	GaP	Gallium monophosphide	¹Σ	C_∞v
166	CN	Cyano radical	²Σ	C_∞v
167	SiP	Silicon monophosphide	²Π	C_∞v
168	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
169	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
170	HCN	Hydrogen cyanide	¹Σ	C_∞v
171	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
172	HNC⁺	hydrogen isocyanide cation
173	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
174	LiNH₂	lithium amide
175	HBNH	Boranimine	¹Σ	C_∞v
176	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
177	CH₂NH	Methanimine	¹A^'	C_s
178	CH₂NH⁺	Methanimine cation
179	CHNH₂	aminomethylene
180	CHNH₂⁺	Aminocarbene cation
181	BH₂NH₂	Boranamine
182	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
183	N₂H₄	Hydrazine	¹A	C₂
184	CH₃NH₂	methyl amine	¹A^'	C_s
185	SiH₃NH₂	Silane, amino
186	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
187	BH₃PH₃	borane phosphine
188	BH₃NH₃	borane ammonia	¹A₁	C_3v
189	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
190	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
191	N₂H₇⁺	ammonia ammonium dimer
192	CaO	Calcium monoxide	¹Σ	C_∞v
193	CaS	Calcium sulfide	¹Σ	C_∞v
194	BO	boron monoxide	²Σ	C_∞v
195	CO	Carbon monoxide	¹Σ	C_∞v
196	CO^-	carbon monoxide anion	²Π	C_∞v
197	CO⁺	carbon monoxide cation	²Σ	C_∞v
198	GeO	Germanium monoxide	¹Σ	C_∞v
199	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
200	GeS	Germanium monosulfide	¹Σ	C_∞v
201	SiSe	Silicon Monoselenide
202	SiSe⁺	Silicon Monoselenide cation
203	NO	Nitric oxide	²Π	C_∞v
204	NO^-	nitric oxide anion	³Σ	C_∞v
205	NO⁺	nitric oxide cation	¹Σ	C_∞v
206	PO	Phosphorus monoxide	²Π	C_∞v
207	PS	phosphorus sulfide	²Σ	C_∞v
208	NSe	Nitrogen monoselenide	²Π	C_∞v
209	AsS	Arsenic monosulfide	²Π	C_∞v
210	PSe	Phosphorus monoselenide	²Π	C_∞v
211	AsSe	Arsenic monoselenide	²Π	C_∞v
212	O₂^-	oxygen diatomic anion	²Π	D_∞h
213	SO⁺	sulfur monoxide cation	²Π	C_∞v
214	S₂	Sulfur diatomic	³Σ_g	D_∞h
215	SeO	Selenium monoxide	³Σ	C_∞v
216	LiOH	lithium hydroxide	¹Σ	C_∞v
217	KOH	Potassium hydroxide	¹Σ	C_∞v
218	BeOH	beryllium monohydroxide	²A^'	C_s
219	HBO	Boron hydride oxide	¹Σ	C_∞v
220	COH	Hydroxymethylidyne
221	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
222	HCO^-	formyl anion	¹A^'	C_s
223	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
224	NOH	Hydroxyimidogen	³A^"	C_s
225	NOH⁺	O-protonated nitric oxide	²A^'	C_s
226	HO₂⁺	Hydroperoxy cation	³A^"	C_s
227	HSO⁺	Sulfur Monoxide, S-protonated
228	SOH	Sulfur Hydroxide
229	SOH⁺	Sulfur Monoxide, protonated
230	H₂CO	Formaldehyde	¹A₁	C_2v
231	H₂CO^-	formaldehyde anion	²A^'	C_s
232	H₂CO^-	formaldehyde anion
233	H₂CO⁺	formaldehyde cation	²B₂	C_2v
234	H₂CS	Thioformaldehyde	¹A₁	C_2v
235	H₂CS^-	thioformaldehyde anion
236	H₂CS^-	thioformaldehyde anion
237	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
238	H₂NO	nitroxide	²B₁	C_2v
239	H₂NO	nitroxide	²A^'	C_s
240	H₂O₂	Hydrogen peroxide	¹A	C₂
241	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
242	H₂OO	water oxide
243	HOSH	hydrogen thioperoxide
244	H₂S₂	Disulfane	¹A	C₂
245	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
246	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
247	CH₃O^-	methoxy anion	¹A₁	C_3v
248	CH₃O⁺	Methoxy cation	³A₁	C_3v
249	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
250	NH₂OH	hydroxylamine	¹A^'	C_s
251	NH₂OH⁺	Hydroxylamine cation
252	NH₂SH	Thiohydroxylamine
253	NH₂SH	Thiohydroxylamine
254	NH₃S	sulfidoazane
255	CH₃OH	Methyl alcohol	¹A^'	C_s
256	CH₃SH	Methanethiol	¹A^'	C_s
257	CH₃SH⁺	Methanethiol cation	²A^"	C_s
258	SiH₃OH	silanol
259	NH₂OH₂⁺	protonated hydroxylamine
260	NH₃OH⁺	N-protonated hydroxylamine
261	H₂OH₂O	water dimer	¹A^'	C_s
262	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
263	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
264	LiF	lithium fluoride	¹Σ	C_∞v
265	LiCl	lithium chloride	¹Σ	C_∞v
266	NaF⁺	sodium fluoride cation	²Σ	C_∞v
267	LiBr	Lithium Bromide	¹Σ	C_∞v
268	LiI	Lithium Iodide
269	NaI	Sodium Iodide
270	LiF⁺	lithium fluoride cation	²Π	C_∞v
271	TiCl	Titanium Monochloride	⁴Σ	C_∞v
272	ZnF	Zinc monofluoride	²Σ	C_∞v
273	CaBr	Calcium monobromide
274	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
275	AlBr	Aluminum monobromide
276	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
277	CF	Fluoromethylidyne	²Π	C_∞v
278	SiF	silicon monofluoride	²Π	C_∞v
279	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
280	CBr	Carbon monobromide	²Π	C_∞v
281	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
282	GeCl⁺	Germanium monochloride cation
283	SiBr	Silicon monobromide	²Π	C_∞v
284	SiBr⁺	Silicon monobromide cation
285	NCl	nitrogen monochloride	³Σ	C_∞v
286	AsCl	Arsenic monochloride	³Σ	C_∞v
287	PBr	Phosphorus monobromide
288	FO	Oxygen monofluoride	²Π	C_∞v
289	SCl	sulfur monochloride	²Π	C_∞v
290	SeCl	Selenium monochloride	²Π	C_∞v
291	BrCl	Bromine monochloride	¹Σ	C_∞v
292	F₂	Fluorine diatomic	¹Σ_g	D_∞h
293	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
294	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
295	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
296	ClF⁺	clorine monofluoride cation	²Π	C_∞v
297	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
298	BrF	Bromine monofluoride	¹Σ	C_∞v
299	Br₂	Bromine diatomic	¹Σ_g	D_∞h
300	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
301	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
302	HCF	Fluoromethylene	¹A^'	C_s
303	HCF	Fluoromethylene	³A^"	C_s
304	HOCl	hypochlorous acid	¹A^'	C_s
305	HOCl⁺	hypochlorous acid cation
306	F₂H⁺	Fluorine, protonated	¹A^'	C_s
307	ClFH⁺	Chlorine fluoride, F-protonated
308	FClH⁺	Chlorine fluoride, Cl-protonated
309	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
310	CH₂Br	bromomethyl radical
311	CH₂F	fluoromethyl radical	²A	C_s
312	CH₂F⁺	fluoromethyl cation
313	CH₂Cl⁺	chloromethyl cation
314	CH₂Cl	chloromethyl radical	²A^'	C_s
315	CH₂Cl	chloromethyl radical	²B₁	C_2v
316	NH₂Cl	chloramine	¹A^'	C_s
317	CH₃F⁺	methyl fluoride cation
318	CH₃F	Methyl fluoride	¹A₁	C_3v
319	CH₃Cl	Methyl chloride	¹A₁	C_3v
320	SiH₃Cl	chlorosilane	¹A₁	C₁
321	CH₃Br	methyl bromide	¹A₁	C_3v
322	SiH₃Br	bromosilane	¹A₁	C_3v
323	CH₃ClH⁺	methyl chloride, protonated
324	NH₄Cl	Ammonium chloride
325	LiNe⁺	Lithium Neon cation
326	Ar₂	Argon diatomic	¹S_g	D_∞h
327	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
328	C₃	carbon trimer	¹Σ_g	D_∞h
329	C₃	carbon trimer	¹A₁	C_2v
330	C₃H₄	cyclopropene	¹A₁	C_2v
331	CH₃CCH	propyne	¹A^'	C_3v
332	CH₂CHCH₃	Propene	¹A^'	C_s
333	C₃H₇	n-Propyl radical	²A^"	C₁
334	C₃H₇⁺	cyclopropane, protonated
335	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
336	C₃H₈	Propane	¹A₁	C_2v
337	Si₃H₈	trisilane
338	LiCN	lithium cyanide	¹Σ	C*V LiCN
339	KCN	Potassium cyanide	¹Σ	C_∞v
340	KCN	Potassium cyanide	¹Σ	C_∞v
341	KCN	Potassium cyanide	¹A^'	C_s
342	ZnCN	Zinc monocyanide	²Σ	C_∞v
343	ZnNC	Zinc isocyanide	²Σ	C_∞v
344	N₃	azide radical	²Π_g	D_∞h
345	N₃⁺	azide cation	³Σ_g	D_∞h
346	N₃⁺	azide cation	³Σ	C_∞v
347	HN₃⁺	Hydrazoic acid cation
348	HNCNH	diiminomethane	¹A	C₂
349	HNNNH⁺	1,2-Triazadienium
350	NH₂NN⁺	hydrazoic acid, protonated
351	CH₃CN	Acetonitrile	¹A₁	C_3v
352	CH₃CN^-	acetonitrile anion	²E	C_3v
353	CHNCH₂	2H-Azirine
354	CHNHCH	1H-Azirine
355	H₂CCNH	Ethenimine
356	H₂CNCH	methyleneaminomethylene
357	HCCNH₂	Ethynamine
358	HCNCH₂⁺	2H-Azirine cation
359	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
360	NCNH₃⁺	Cyanamide, protonated	¹A₁	C_3v
361	NH₂CNH⁺	cyanamide, cn protonated
362	NH₃CN⁺	cyanamide, amine protonated
363	C₂H₅NH⁺	Protonated Aziridine	¹A₁	C_2v
364	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
365	CH₃CH₂NH₂	Ethylamine
366	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
367	(CH₃)₂NH₂⁺	dimethylammonium cation	¹A₁	C_2v
368	CH₃CH₂NH₃⁺	ethylamine, protonated	¹A^'	C_s
369	Li₂O	dilithium oxide	¹Σ_g	D_∞h
370	Na₂O	disodium monoxide	¹Σ_g	Linear
371	Na₂O	disodium monoxide	¹A₁	C_2v
372	Na₂S	Sodium sulfide
373	Na₂S	Sodium sulfide
374	NaO₂	Sodium superoxide
375	NCO	isocyanato radical	²Π	C_∞v
376	N₂O	Nitrous oxide	¹Σ	C_∞v
377	N₂O^-	Nitrous oxide anion	²A^'	C_s
378	OCS	Carbonyl sulfide	¹Σ	C_∞v
379	CS₂	Carbon disulfide	¹Σ_g	D_∞h
380	OCSe	Carbonyl selenide	¹Σ	C_∞v
381	SCSe	Carbon sulfide selenide
382	NO₂	Nitrogen dioxide	²A₁	C_2v
383	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
384	NSO	sulfinyl amidogen
385	SNO	Nitrogen oxide sulfide
386	O₃	Ozone	¹A₁	C_s
387	S₃	Sulfur trimer	¹A₁	C_2v
388	S₃	Sulfur trimer
389	SeO₂	Selenium dioxide	¹A₁	C_2v
390	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
391	HCCO	ketenyl radical	²Π	C_∞v
392	HCCO	ketenyl radical	²A^"	C_s
393	HNCS	Isothiocyanic acid
394	HNCS	Isothiocyanic acid
395	HSCN	thiocyanic acid	¹A^'	C_s
396	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
397	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
398	HOCO	Hydrocarboxyl radical	¹A^'	cis
399	HOCO	Hydrocarboxyl radical	¹A^'	trans
400	O₃H⁺	protonated ozone	¹A^'	C_s
401	O₃H⁺	protonated ozone
402	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
403	C₂H₂O	Oxirene	¹A₁	C_2v
404	CH₂CO	Ketene	¹A₁	C_2v
405	CH₂CS	Thioketene
406	Be(OH)₂	Beryllium hydroxide
407	Be(OH)₂	Beryllium hydroxide
408	Be(OH)₂	Beryllium hydroxide
409	H₂COO	Dioxymethyl radical	²A^'	C_s
410	H₂COO⁺	dioxymethyl cation	²A^'	C_s
411	HCOOH	Formic acid	¹A^'	C_s
412	HCOOH	Formic acid
413	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
414	BH₃CO	Borane carbonyl	¹A₁	C_3v
415	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
416	CH₂COH⁺	ketene, protonated
417	CH₂NOH	formaldoxime	¹A^'	C_s
418	CH₃NO	nitrosomethane	¹A^'	C_s
419	CNOH₃	1,2-oxaziridine	¹A	C₁
420	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
421	CHSNH₂	thioformamide
422	NHCHSH	Methanimidothioic acid
423	C₂H₄O	Ethylene oxide	¹A₁	C_2v
424	C₂H₄O⁺	ethylene oxide cation
425	CH₃CHO	Acetaldehyde	¹A^'	C_s
426	CH₃CHO⁺	acetaldehyde cation
427	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
428	C₂H₄S	Thiirane	¹A₁	C_2v
429	CH₂CHSH	Ethenethiol
430	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
431	NH₂CHOH⁺	Formamide, O-protonated
432	CH₃SSH	Hydrogen methyl disulfide
433	HSCH₂SH	Methanedithiol
434	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
435	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
436	CH₃CHOH⁺	acetaldehyde, protonated	¹A^'	C_s
437	NH₂CH₂OH	aminomethanol
438	CH₃CH₂SH	ethanethiol	¹A^'	C_s
439	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
440	CH₃SCH₃⁺	dimethyl sulfide cation
441	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
442	CNF	iso cyanogen fluoride	¹Σ	C_∞v
443	BrCN	Cyanogen bromide	¹Σ	C_∞v
444	ICN	Cyanogen iodide	¹Σ	C_∞v
445	CaBr₂	Calcium dibromide
446	BF₂	Boron difluoride radical	²A₁	C_2v
447	FNS	Thionitrosyl fluoride	¹A^'	C_s
448	FSN	Thiazyl fluoride	¹A^'	C_s
449	OPCl	Phosphorus oxychloride
450	INO	Nitrosyl iodide	¹A^'	C_s
451	CF₂	Difluoromethylene	¹A₁	D_∞h
452	CFCl	chlorofluoromethylene	¹A^'	C_s
453	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
454	CBr₂	dibromomethylene	¹A₁	C_2v
455	CBr₂	dibromomethylene	³B₁	C_2v
456	OClO^-	Chlorine dioxide anion	¹A^'	C_s
457	ClSO	Sulfur chloride oxide	²A^"	C_s
458	BrOO	Bromine dioxide
459	OBrO	Bromine dioxide radical	²B₁	C_2v
460	PF₂	Phosphorus difluoride
461	FClO	chlorosyl fluoride	¹A^'	C_s
462	ClOF	Chlorine hypofluorite	¹A^'	C_s
463	SF₂	sulfur difluoride	¹A₁	C_2v
464	SFCl	Sulfur chloride fluoride
465	HCCBr	bromoacetylene	¹Σ	C_∞v
466	CHCl₂	dichloromethyl radical	²B₁	C_2v
467	CHCl₂	dichloromethyl radical	²A^'	C_s
468	CHF₂⁺	difluoromethyl cation
469	CHFCl	Chlorofluoromethyl radical
470	CHFCl⁺	Chlorofluoromethyl cation
471	CHCl₂⁺	dichloromethyl cation
472	CHBr₂	dibromomethyl radical
473	NHF₂	difluoramine
474	NHCl₂	dichloroamine
475	SiH₂F₂	difluorosilane
476	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
477	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
478	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
479	CH₂FI	fluoroiodomethane
480	CH₂I₂	Diiodomethane
481	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
482	C₂H₃I	Vinyl iodide
483	CH₂FOH	fluoromethanol
484	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
485	CHClCH₃	1-chloroethyl radical	²A	C₁
486	XeF₂	Xenon difluoride
487	C₄	Carbon tetramer	³Σ_g	D_∞h
488	C₄	Carbon tetramer
489	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
490	C₄H₄	Tetrahedrane
491	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
492	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
493	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
494	C₂N₂	Cyanogen	¹Σ_g	D_∞h
495	As₄	Arsenic tetramer	¹A₁	T_d
496	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
497	H₂CNCN	cyanamide, methylene
498	HNCCNH	Ethenediimine
499	CH₃N₃	methyl azide	¹A^'	C_s
500	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
501	NH₂CCNH₂	Diaminoacetylene	¹A₁	D_2d
502	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
503	CH₃NHN₂⁺	methyl azide, protonated	¹A	C₁
504	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
505	H₂NCHCHNH₂	diaminoethylene
506	CH₇N₃	triaminomethane
507	C₄H₈	cyclobutane	¹A₁	D_2d
508	NH₂CH₂CH₂CH₃	1-Propanamine	¹A^'	C_s
509	N(SiH₃)₃	trisilylamine
510	(CH₃)₃NH⁺	protonated trimethyl amine
511	C₃H₇NH₃⁺	n-propylamine, protonated	¹A^'	C_s
512	C₃O	Tricarbon monoxide	¹Σ	C_∞v
513	ONNO	NO dimer	¹A_g	trans C2H
514	ONNO	NO dimer	¹A₁	cis C2V
515	S₂N₂	Disulfur dinitride	¹A_G	D_2h
516	CS₃^--	Carbonotrithioate
517	NO₃^-	nitrate anion	¹A₁^'	D_3h
518	SO₃	Sulfur trioxide	¹A₁^'	D_3h
519	S₄	Sulfur tetramer
520	S₄	Sulfur tetramer
521	S₄	Sulfur tetramer
522	NH₂NO₂	nitramide	¹A^'	C_s
523	C₃H₂O	Propadienal
524	C₃H₂O	Propadienal
525	CH₃NCO	methylisocyante
526	HOCH₂CN	cyanomethanol
527	CH₃NO₂	Methane, nitro-	¹A^'	C_s
528	H₃AlO₃	Aluminum hydroxide
529	NH₂CONH₂	Urea	¹A₁	C_2v
530	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
531	NH₃COOH⁺	protonated Carbamic acid	¹A^'	C_s
532	CH₂C(OH)NH₂	1-amino vinyl alchohol
533	CH₃C(OH)=NH	Ethaninidic acid
534	CH₃CHNOH	Acetaldoxime	¹A^'	CS cis
535	HCONHCH₃	N-methylformamide	¹A^'	CS cis
536	HCONHCH₃	N-methylformamide	¹A^'	CS trans
537	CH₃CSNH₂	Ethanethioamide
538	CH₅N₂O⁺	urea, N-protonated	¹A^'	C_s
539	H₂NCOHNH₂⁺	urea, protonated	¹A^'	C_s
540	C₃H₅OH	Cyclopropanol	¹A	C₁
541	C₃H₆O	Acetone enol	¹A^'	C_s
542	CH₃CH₂CHO	Propanal	¹A^'	C_s
543	Li₂F₂	Lithium fluoride dimer
544	FNO₂	Nitryl fluoride	¹A₁	C_2v
545	FONO	Nitrosyl hypofluorite	¹A^'	CS cis
546	ClONO	chlorine nitrite	¹A^'	CS cis
547	CF₂O⁺	Carbonic difluoride cation
548	BF₃⁺	boron trifluoride cation
549	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
550	CF₂Cl	difluorochloromethyl radical
551	SiF₃	Silicon trifluoride radical	²A₁	C_3v
552	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
553	CFCl₂	dichlorofluoromethyl radical
554	CBr₃	tribromomethyl radical
555	ClO₂F	Chloryl fluoride	¹A^'	C_s
556	ClOOCl	Dichlorine dioxide	¹A	C₂
557	SSCl₂	Thiothionyl chloride
558	NCl₃	nitrogen trichloride	¹A₁	C_3v
559	AsCl₃	Arsenous trichloride	¹A₁	C_3v
560	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
561	NI₃	Nitrogen triiodide
562	ClF₃	Chlorine trifluoride	¹A₁^'	D_3h
563	ClF₃	Chlorine trifluoride	¹A₁	C_2v
564	HClO₃	Chloric Acid	¹A^'	C_s
565	HClO₃	Chloric Acid	¹A	C₁
566	SiHF₃	trifluorosilane
567	CHFClBr	fluorochlorobromomethane	¹A	C₁
568	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
569	CHBr₂F	dibromofluoromethane
570	NF₃H⁺	protonated nitrogen trifluoride	¹A₁	C_3v
571	AsF₃H⁺	Arsenic trifluoride, protonated
572	C₂H₂ClF	1-chloro-1-fluoroethylene	¹A^'	C_s
573	CHFCHCl	(E)-1-chloro-2-fluoroethene	¹A^'	C_s
574	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	¹A^'	C_s
575	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
576	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
577	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
578	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A^'	C_s
579	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A	C₁
580	CH₂CHCH₂F	Allyl Fluoride
581	CH₃CHCHF	trans-1-Fluoro-1-propene
582	CH₂ClCH₂OH	2-Chloroethanol	¹A^'	C_s
583	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	¹A	C₁
584	CH₂FCH₂CH₃	1-Fluoropropane	¹A^'	C_s
585	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
586	B₅H₉	pentaborane9
587	C₅H₄	pentatetraene
588	C₅H₆	Propellane	¹A₁	D_3h
589	C₅H₈	Bicyclo[1.1.1]pentane
590	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
591	C₃H₄N₂	2H-Imidazole	¹A₁	C_2v
592	C₃H₄N₂	4H-Imidazole	¹A^'	C_s
593	C₄H₅N	Pyrrole	¹A₁	C_2v
594	C₄H₆N⁺	pyrrole, alpha-protonated	¹A^'	C_s
595	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
596	C₄H₆N⁺	pyrrole, protonated	¹A₁	C_2v
597	NH(C₂H₅)₂	diethylamine	¹A^'	C_s
598	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
599	MgCO₃	Magnesium Carbonate	¹A₁	C_2v
600	BeCO₃	Beryllium Carbonate	¹A₁	C_2v
601	CHOOCHO	diformyl ether
602	CH₃COCCH	3-butyn-2-one	¹A^'	C_s
603	C₄H₄Se	selenophene
604	CH₃OCH₂CN	Methoxyacetonitrile	¹A^'	C_s
605	CH₃OCH₂CN	Methoxyacetonitrile	¹A	C₁
606	CH₃SO₂NH₂	methanesulfonamide	¹A^'	C_s
607	CH₂CHSCHCH₂	Divinyl sulfide
608	HCOOC₂H₅	Ethyl formate	¹A^'	C_s
609	C₂H₆O₂S	Dimethyl sulfone	¹A₁	C_2v
610	C₄H₈S	Thiophene, tetrahydro-	¹A	C₁
611	C₄H₁₀O	Methyl propyl ether	¹A	C₁
612	C₄H₉SH	1-Butanethiol
613	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
614	CBrCl₂F	bromodichlorofluoromethane
615	CBr₂ClF	dibromochlorofluoromethane
616	CBr₂Cl₂	dibromodichloromethane	¹A₁	C_2v
617	CFBr₃	fluorotribromomethane	¹A₁	C_3v
618	CBr₃Cl	tribromochloromethane	¹A₁	C_3v
619	SiBr₄	Silicon tetrabromide	¹A₁	T_d
620	CI₄	tetraiodomethane
621	ClOF₃	Chlorine trifluoride oxide	¹A^'	C_s
622	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
623	SeF₄	Selenium tetrafluoride
624	CH₂ClCCCl	1,3-dichloropropyne
625	CHCl₂CCH	3,3-dichloropropyne
626	PF₃CH₂	phosphorane, trifluoromethylene-	¹A^'	C_s
627	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
628	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	¹A₁	C_2v
629	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A	C₁
630	XeF₄	Xenon tetrafluoride
631	C₂H₂N₂O	Furazan
632	NH₃BF₃	Amminetrifluoroboron	¹A₁	C_3v
633	C₆H₆	Prismane
634	C₆H₆	1,2,4,5-Hexatetraene	¹A_g	C_2h
635	C₆H₆	Benzvalene	¹A₁	C_2v
636	C₆H₆	Dewar Benzene
637	C₆H₆	Hexa-1,5-diene-3-yne	¹A_g	C_2h
638	C₆H₇⁺	benzene, protonated	¹A₁	C_2v
639	C₆H₁₀	3-Hexyne	¹A₁	C_2v
640	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
641	MgSO₄	Magnesium Sulfate	¹A₁	C_2v
642	C₃H₂O₃	vinylene carbonate
643	C₂H₂O₄	Oxalic Acid	¹A_g	C_2h
644	C₂H₄N₂S₂	Ethanedithioamide	¹A_G	C_2h
645	C₅H₆O	2H-Pyran
646	C₅H₆O	Pentadienal
647	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
648	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
649	C₃H₆S₃	1,3,5-Trithiane	¹A₁	C_3v
650	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	¹A	C₂
651	C₅H₁₀O	3-Pentanone	¹A₁	C_2v
652	C₄F₂	difluorobutadiyne
653	ClCOClCO	Oxalyl chloride	¹A_G	C_2h
654	CF₂CCl₂	difluorodichloroethylene	¹A₁	C_2v
655	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	¹A_G	C_2h
656	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	¹A₁	C_2v
657	SiF₅^-	silicon pentafluoride anion
658	SOF₄	Sulfur tetrafluoride oxide	¹A₁	C_2v
659	SF₅⁺	pentafluoro sulfur cation	¹A₁^'	D_3h
660	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	¹A_G	C_i
661	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	¹A	C₂
662	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
663	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	¹A^'	C_s
664	C₄H₃ClO	Furan, 2-chloro	¹A^'	C_s
665	C₄H₃ClO	Furan,3-chloro	¹A^'	C_s
666	C₄H₈O₂	Butanoic acid	¹A	C₁
667	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
668	C₇H₇⁺	cycloheptatrienyl cation	¹A₁^'	D_7h
669	CH(CN)₃	tricyanomethane
670	C₆H₁₂O	Oxepane
671	F₂CCCF₂	tetrafluoroallene
672	CF₃COO^-	trifluoro acetate anion	¹A^'	C_s
673	CF₃COF	trifluoroacetyl fluoride	¹A^'	C_s
674	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
675	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
676	CF₃CHF₂	pentafluoroethane	¹A^'	C_s
677	S₄N₄	Tetrasulfur tetranitride
678	C₆H₄Cl₂	1,4-dichlorobenzene
679	C₆H₅NO	nitrosobenzene	¹A^'	C_s
680	C₃F₆	hexafluoropropene
681	C₈H₁₈O	1-Octanol
682	C₁₀H₈	naphthalene	¹A_g	D_2h
683	S₂F₁₀	disulphur decafluoride

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H⁺	Hydrogen atom cation	h+
5	D₂	Deuterium diatomic	d2
6	H₂	Hydrogen diatomic	h2
7	HD	Deuterium hydride	hd
8	H₃⁺	hydrogen trimer cation	h3+
9	He^-	Helium atom anion	he-
10	HeH	Helium hydride	heh
11	Li	Lithium atom	li
12	Li⁺	Lithium atom cation	li+
13	Na	Sodium atom	na
14	Na^-	Sodium atom anion	na-
15	Na⁺	Sodium atom cation	na+
16	K	Potassium atom	k
17	K^-	Potassium atom anion	k-
18	K⁺	Potassium atom cation	k+
19	Cu	Copper atom	cu
20	Cu^-	Copper atom anion	cu-
21	Cu⁺	Copper atom cation	cu+
22	LiH	Lithium Hydride	lih
23	LiH^-	lithium hydride anion	lih-
24	NaH	sodium hydride	nah
25	NaH^-	sodium hydride anion	nah-
26	NaH⁺	sodium hydride cation	nah+
27	KH⁺	Potassium hydrogen cation	kh+
28	CuH	Copper monohydride	cuh
29	Be	Beryllium atom	be
30	Be^-	Beryllium atom anion	be-
31	Be⁺	Beryllium atom cation	be+
32	Mg	Magnesium atom	mg
33	Mg^-	Magnesium atom anion	mg-
34	Mg⁺	Magnesium atom cation	mg+
35	Ca	Calcium atom	ca
36	Ca^-	Calcium atom anion	ca-
37	Ca⁺	Calcium atom cation	ca+
38	Zn	Zinc atom	zn
39	Zn^-	Zinc atom anion	zn-
40	Zn⁺	Zinc atom cation	zn+
41	BeH	beryllium monohydride	beh
42	BeH^-	berylium monohydride anion	beh-
43	BeH⁺	beryllium monohydride cation	beh+
44	MgH^-	magnesium monohydride anion	mgh-
45	MgH⁺	magnesium monohydride cation	mgh+
46	CaH	Calcium monohydride	cah
47	CaH⁺	Calcium monohydride cation	cah+
48	TiH	Titanium monohydride	tih
49	ZnH	Zinc monohydride	znh
50	BeH₂	beryllium dihydride	beh2
51	CaH₂	Calcium Hydride	cah2
52	ZnH₂	Zinc hydride	znh2
53	B	Boron atom	b
54	B^-	Boron atom anion	b-
55	B⁺	Boron atom cation	b+
56	Sc	Scandium atom	sc
57	Sc⁺	Scandium cation	sc+
58	Ga	Gallium atom	ga
59	Ga^-	Gallium atom anion	ga-
60	Ga⁺	Gallium atom cation	ga+
61	BH^-	boron monohydride anion	bh-
62	BH⁺	boron monohydride cation	bh+
63	AlH	aluminum monohydride	alh
64	AlH^-	aluminum monohydride anion	alh-
65	AlH⁺	aluminum monohydride cation	alh+
66	ScH	Scandium monohydride	sch
67	GaH	Gallium monohydride	gah
68	BH₂	boron dihydride	bh2
69	BH₂^-	boron dihydride anion	bh2-
70	BH₂⁺	Boron dihydride cation	bh2+
71	AlH₂	aluminum dihydride	alh2
72	AlH₂^-	aluminum dihydride anion	alh2-
73	AlH₂⁺	aluminum dihydride cation	alh2+
74	BH₃	boron trihydride	bh3
75	BH₃^-	boron trihydride anion	bh3-
76	AlH₃⁺	aluminum trihydride cation	alh3+
77	ScH₃	Scandium trihydride	sch3
78	GaH₃	Gallium trihydride	gah3
79	AlH₄^-	Aluminum tetrahydride anion	alh4-
80	C^-	Carbon atom anion	c-
81	C⁺	Carbon atom cation	c+
82	Si	Silicon atom	si
83	Si⁺	Silicon atom cation	si+
84	Ti	Titanium atom	ti
85	Ti^-	Titanium atom anion	ti-
86	Ti⁺	Titanium atom cation	ti+
87	Ge	Germanium atom	ge
88	Ge^-	Germanium anion	ge-
89	Ge⁺	Germanium cation	ge+
90	Sn	Tin atom	sn
91	Sn⁺	Tin cation	sn+
92	CH	Methylidyne	ch
93	CH^-	methylidyne anion	ch-
94	CH⁺	Methylidyne cation	ch+
95	SiH	Silylidyne	sih
96	SiH^-	silicon monohydride anion	sih-
97	CH₂	Methylene	ch2
98	CH₂⁺	methylene cation	ch2+
99	SiH₂	silicon dihydride	sih2
100	SiH₂^-	silicon dihydride anion	sih2-
101	SiH₂⁺	silicon dihydride cation	sih2+
102	GeH₂^-	germylene anion	geh2-
103	CH₃	Methyl radical	ch3
104	CH₃^-	methyl anion	ch3-
105	CH₃⁺	methyl cation	ch3+
106	SiH₃	Silyl radical	sih3
107	SiH₃^-	Silyl anion	sih3-
108	GeH₃	Germyl radical	geh3
109	GeH₃⁺	germyl cation	geh3+
110	CD₄	methane-d4	cd4
111	CH₂D₂	methane-d2	ch2d2
112	CH₃D	methane-d	ch3d
113	CH₄⁺	Methane cation	ch4+
114	CHD₃	methane-d3	chd3
115	SiH₄⁺	Silane cation	sih4+
116	SnH₄	Stannane	snh4
117	N^-	Nitrogen atom anion	n-
118	N⁺	Nitrogen atom cation	n+
119	P^-	Phosphorus atom anion	p-
120	P⁺	Phosphorus atom cation	p+
121	V	Vanadium atom	v
122	Sb	Antimony atom	sb
123	NH	Imidogen	nh
124	NH^-	Imidogen anion	nh-
125	NH⁺	imidogen cation	nh+
126	PH^-	phosphorus monohydride anion	ph-
127	PH⁺	phosphorus monohydride cation	ph+
128	AsH	Arsenic monohydride	ash
129	AsH⁺	Arsenic monohydride cation	ash+
130	SbH	Antimony monohydride	sbh
131	ND₂	Amidogen-d2	nd2
132	NH₂^-	amino anion	nh2-
133	PH₂	Phosphino radical	ph2
134	PH₂^-	Phosphino anion	ph2-
135	PH₂⁺	Phosphino cation	ph2+
136	AsH₂	Arsenic dihydride	ash2
137	AsH₂⁺	Arsenic dihydride cation	ash2+
138	ND₃	Ammonia-d3	nd3
139	NH₃⁺	ammonia cation	nh3+
140	AsH₃	Arsine	ash3
141	AsH₃⁺	Arsine cation	ash3+
142	SbH₃	Stibine	sbh3
143	AsH₄⁺	Arsonium	ash4+
144	O^-	Oxygen atom anion	o-
145	O⁺	Oxygen atom cation	o+
146	Cr	Chromium atom	cr
147	Te⁺	Tellurium atom cation	te+
148	DO	Hydroxyl-d	od
149	DS	Mercapto-d	ds
150	HS	Mercapto radical	hs
151	TeH	Telluryl radical	teh
152	D₂O	Deuterium oxide	d2o
153	D₂S	Hydrogen sulfide-d2	d2s
154	H₂S^-	Hydrogen sulfide anion	h2s-
155	H₂Te	Hydrogen Telluride	h2te
156	Mn	Manganese atom	mn
157	I	Iodine atom	iodine
158	I^-	Iodine atom anion	iodine-
159	I⁺	Iodine atom cation	iodine+
160	DF	Hydrofluoric acid-d	df
161	HF	Hydrogen fluoride	hf
162	HF^-	hydrogen fluoride anion	hf-
163	HF⁺	hydrogen fluoride cation	hf+
164	DCl	Hydrochloric acid-d	dcl
165	HCl	Hydrogen chloride	hcl
166	HCl^-	hydrogen chloride anion	hcl-
167	HI	Hydrogen iodide	hi
168	HI⁺	Hydrogen iodide cation	hi+
169	H₂F⁺	dihydrogen fluoride cation	h2f+
170	H₂I⁺	Iodonium	h2i+
171	Ne^-	Neon atom anion	ne-
172	Ne⁺	Neon atom cation	ne+
173	Ar	Argon atom	ar
174	Ar^-	Argon atom anion	ar-
175	Ar⁺	Argon atom cation	ar+
176	Fe	Iron atom	fe
177	NeH	neon hydrogen	neh
178	NeH⁺	neon hydrogen cation	neh+
179	Co	Cobalt atom	cobalt
180	Ni	Nickel atom	ni
181	Li₂	Lithium diatomic	li2
182	Li₂^-	lithium diatomic anion	li2-
183	Li₂⁺	lithium diatomic cation	li2+
184	NaLi	lithium sodium	lina
185	NaLi^-	lithium sodium anion	lina-
186	NaLi⁺	lithium sodium cation	lina+
187	LiK	Lithium Potassium	lik
188	Na₂	Sodium diatomic	na2
189	NaK	Sodium Potassium	nak
190	K₂	Potassium diatomic	k2
191	Cu₂	Copper diatomic	cu2
192	LiBe	Lithium Beryllium	libe
193	LiMg	Lithium magnesium	limg
194	NaBe	Sodium Beryllium	nabe
195	NaMg	Sodium Magnesium	namg
196	Be₂	Beryllium diatomic	be2
197	Be₂^-	Beryllium diatomic anion	be2-
198	Be₂⁺	Beryllium diatomic cation	be2+
199	Mg₂	Magnesium diatomic	mg2
200	Mg₂^-	magnesium diatomic anion	mg2-
201	Mg₂⁺	magnesium diatomic cation	mg2+
202	Ca₂	Calcium diatomic	ca2
203	LiB	Lithium boride	lib
204	BeB	Beryllium monoboride	beb
205	B₂	Boron diatomic	b2
206	B₂^-	Boron diatomic anion	b2-
207	B₂⁺	Boron diatomic cation	b2+
208	Al₂	Aluminum diatomic	al2
209	Al₂^-	aluminum diatomic anion	al2-
210	Al₂⁺	aluminum diatomic cation	al2+
211	Ga₂	Gallium diatomic	ga2
212	LiBH₄	Lithium borohydride	libh4
213	Al₂H₆	dialane	al2h6
214	Ga₂H₆	digallane	ga2h6
215	LiC	Lithium Carbide	lic
216	BeC	Beryllium Carbide	bec
217	BC	boron monocarbide	bc
218	BC^-	boron monocarbide anion	bc-
219	BC⁺	boron monocarbide cation	bc+
220	AlC	Aluminum carbide	alc
221	C₂	Carbon diatomic	c2
222	C₂^-	carbon diatomic anion	c2-
223	C₂⁺	carbon diatomic cation	c2+
224	SiC	silicon monocarbide	sic
225	SiC^-	silicon monocarbide anion	sic-
226	SiC⁺	silicon monocarbide cation	sic+
227	Si₂	Silicon diatomic	si2
228	Si₂^-	silcon diatomic anion	si2-
229	Si₂⁺	silcon diatomic cation	si2+
230	GeC	Germanium monocarbide	gec
231	Ge₂	Germanium diatomic	ge2
232	C₂H⁺	Ethynyl cation	c2h+
233	ZnCH₂	Zinc methylene	znch2
234	C₂H₂	Acetylene	c2h2
235	CCH₂	vinylidene	vinylidene
236	Si₂H₂	disilyne	si2h2
237	CuCH₃	monomethyl copper	cuch3
238	ZnCH₃	Zinc monomethyl	znch3
239	C₂H₄	Ethylene	c2h4
240	C₂H₄^-	Ethylene anion	c2h4-
241	CH₃CH	methylmethylene	ch3ch
242	CH₂SiH₂	silaethylene	ch2sih2
243	C₂H₅^-	Ethyl anion	c2h5-
244	C₂H₅⁺	Ethyl cation	c2h5+
245	C₂H₆⁺	ethane cation	c2h6+
246	CH₃SiH₃	methyl silane	ch3sih3
247	GeH₃CH₃	methyl germane	geh3ch3
248	C₂H₇⁺	Ethane, protonated	c2h7+
249	LiN	Lithium Nitride	lin
250	LiN⁺	Lithium Nitride cation	lin+
251	BeN	Beryllium mononitride	ben
252	BeN^-	Beryllium mononitride anion	ben-
253	BeN⁺	Beryllium mononitride cation	ben+
254	BN^-	boron nitride anion	bn-
255	AlN^-	aluminum mononitride anion	aln-
256	AlN⁺	aluminum mononitride cation	aln+
257	AlP	Aluminum monophosphide	alp
258	GaN	Gallium mononitride	gan
259	GaAs	Gallium arsenide	gaas
260	BN	boron nitride	bn
261	BN⁺	boron nitride cation	bn+
262	AlN	Aluminum nitride	aln
263	CN^-	cyanide anion	cn-
264	CN⁺	Cyano cation	cn+
265	CP	Carbon monophosphide	cp
266	CP^-	carbon monophosphide anion	cp-
267	CP⁺	carbon monophosphide cation	cp+
268	SiN	Silicon nitride	sin
269	SiN^-	silicon mononitride anion	sin-
270	SiN⁺	silicon mononitride cation	sin+
271	SiP^-	Silicon monophosphide anion	sip-
272	SiP⁺	Silicon monophosphide cation	sip+
273	TiN	Titanium mononitride	tin
274	N₂⁺	diatomic nitrogen cation	n2+
275	PN	Phosphorus mononitride	pn
276	PN^-	phosphorus nitride anion	pn-
277	PN⁺	phosphorus nitride cation	pn+
278	P₂	Phosphorus diatomic	p2
279	P₂^-	phosphorus diatomic anion	p2-
280	P₂⁺	phosphorus diatomic cation	p2+
281	AsN	Arsenic mononitride	asn
282	AsP	Arsenic monophosphide	asp
283	SbN	Antimony nitride	sbn
284	As₂	Arsenic diatomic	as2
285	HNB	hydrogen nitrogen boron	hnb
286	HNC	hydrogen isocyanide	hnc
287	HCN^-	Hydrogen cyanide anion	hcn-
288	HCP	Phosphaethyne	hcp
289	HCP⁺	Phosphaethyne cation	hcp+
290	NNH	Dinitrogen monohydride	nnh
291	HPO	Hydrogen phosphorus oxide	hpo
292	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
293	CNH₂	Aminomethylidyne radical	cnh2
294	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
295	H₂CN	Dihydrogen cyanide radical	h2cn
296	H₂CN⁺	hydrocyanonium cation	h2cn+
297	HCNH	methyleneazane	hcnh
298	HCNH⁺	N-protonated HCN	hcnh+
299	H₂NN	Isodiazene	h2nn
300	N₂H₂	(E)-diazene	n2h2
301	N₂H₂	(Z)-Diazene	n2h2z
302	CH₂PH	Phosphaethene	ch3p
303	N₂H₄⁺	hydrazine cation	n2h4+
304	P₂H₄	Diphosphine	p2h4
305	CH₃NH₂⁺	methyl amine cation	ch3nh2+
306	CH₃PH₂	Methyl phosphine	ch3ph2
307	CH₃NH₃⁺	protonated methylamine	ch3nh3+
308	NH₃NH₃	Ammonia Dimer	nh3nh3
309	LiO	lithium oxide	lio
310	LiO^-	lithium oxide anion	lio-
311	LiO⁺	lithium oxide cation	lio+
312	LiS	Lithium monosulfide	lis
313	LiS⁺	Lithium sulfide cation	lis+
314	NaO	sodium monoxide	nao
315	NaO^-	sodium oxide anion	nao-
316	NaO⁺	sodium oxide cation	nao+
317	KO	Potassium monoxide	ko
318	KO⁺	Potassium monoxide cation	ko+
319	NaS	Sodium sulfide	nas
320	CuO	Copper Monoxide	cuo
321	LiSe	Lithium monoselenide	lise
322	BeO	beryllium oxide	beo
323	BeO^-	Beryllium monoxide anion	beo-
324	BeO⁺	Beryllium monoxide cation	beo+
325	BeS	beryllium sulfide	bes
326	MgO	magnesium oxide	mgo
327	MgO^-	magnesium oxide anion	mgo-
328	MgO⁺	magnesium oxide cation	mgo+
329	MgS	magnesium sulfide	mgs
330	MgS^-	magnesium sulfide anion	mgs-
331	MgS⁺	magnesium sulfide cation	mgs+
332	ZnO	zinc monoxide	zno
333	ZnS	Zinc sulfide	zns
334	BeS^-	Beryllium monosulfide anion	bes-
335	BeS⁺	Beryllium monosulfide cation	bes+
336	BO^-	boron monoxide anion	bo-
337	AlO	Aluminum monoxide	alo
338	AlO^-	Aluminum monoxide anion	alo-
339	AlO⁺	aluminum monoxide cation	alo+
340	BS	boron sulfide	bs
341	BS^-	boron monosulfide anion	bs-
342	BS⁺	boron monosulfide cation	bs+
343	AlS	Aluminum sulfide	als
344	AlS^-	aluminum monosulfide anion	als-
345	AlS⁺	aluminum monosulfide cation	als+
346	ScO	Scandium monoxide	sco
347	GaO	Gallium monoxide	gao
348	GaS	Gallium monosulfide	gas
349	BO⁺	boron monoxide cation	bo+
350	CS	carbon monosulfide	cs
351	CS^-	carbon monosulfide anion	cs-
352	CS⁺	carbon monosulfide cation	cs+
353	SiO	Silicon monoxide	sio
354	SiO^-	silicon monoxide anion	sio-
355	SiO⁺	silicon monoxide cation	sio+
356	SiS	silicon monosulfide	sis
357	SiS^-	silicon monosulfide anion	sis-
358	SiS⁺	silicon monosulfide cation	sis+
359	TiO	Titanium monoxide	tio
360	CSe	Carbon monoselenide	cse
361	CSe^-	Carbon monoselenide anion	cse-
362	CSe⁺	Carbon monoselenide cation	cse+
363	GeSe	Germanium monoselenide	gese
364	NS	Mononitrogen monosulfide	ns
365	NS^-	nitrogen sulfide anion	ns-
366	NS⁺	nitrogen sulfide cation	ns+
367	PO^-	phosphorus monoxide anion	po-
368	PO⁺	phosphorus monoxide cation	po+
369	PS^-	phosphorus monosulfide anion	ps-
370	PS⁺	phosphorus monosulfide cation	ps+
371	VO	Vanadium monoxide	vo
372	AsO	Arsenic monoxide	aso
373	O₂	Oxygen diatomic	o2
374	O₂^--	dioxygen dianion	o2--
375	O₂⁺	diatomic oxygen cation	o2+
376	SO	Sulfur monoxide	so
377	SO^-	sulfur monoxide anion	so-
378	S₂^-	sulfur diatomic anion	s2-
379	S₂⁺	sulfur diatomic cation	s2+
380	SeO^-	selenium monoxide anion	seo-
381	SeO⁺	selenium monoxide cation	seo+
382	SeS	Selenium monosulfide	ses
383	SeS^-	selenium monosulfide anion	ses-
384	SeS⁺	selenium monosulfide cation	ses+
385	TeO	Tellurium monoxide	teo
386	Se₂	Selenium diatomic	se2
387	Se₂^-	selenium diatomic anion	se2-
388	Se₂⁺	selenium diatomic cation	se2+
389	Te₂	Tellurium diatomic	te2
390	NaOH	sodium hydroxide	naoh
391	MgOH	magnesium hydroxide	mgoh
392	CaOH	Calcium monohydroxide	caoh
393	HBS	hydrogen boron sulfide	hbs
394	HCO	Formyl radical	hco
395	HCO⁺	Formyl cation	hco+
396	HCS	Thioformyl radical	hcs
397	HCS^-	Thioformyl anion	hcs-
398	HCS⁺	Thioformyl cation	hcs+
399	HNO	Nitrosyl hydride	hno
400	HNO^-	Nitrosyl hydride anion	hno-
401	HNS	Sulfur imide	hns
402	HNS^-	Sulfur imide anion	hns-
403	HO₂	Hydroperoxy radical	ho2
404	HO₂^-	Hydroperoxy anion	ho2-
405	HS₂	Thiosulfeno radical	hs2
406	HOCH	hydroxycarbene	hoch
407	H₂CSe	Selenoformaldehyde	h2cse
408	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
409	H₂Se₂	hydrogen diselenide	h2se2
410	CH₂OH	Hydroxymethyl radical	ch2oh
411	CH₃O	Methoxy radical	ch3o
412	CH₃S	thiomethoxy	ch3s
413	NH₃O	Ammonia Oxide	nh3o
414	H₂POH	Phosphinous acid	h2poh
415	H₃PO	Phosphine oxide	h3po
416	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
417	CH₃OH^-	Methyl alcohol anion	ch3oh-
418	CH₃OH⁺	Methyl alcohol cation	ch3oh+
419	CH₃SeH	Methane selenol	ch3seh
420	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
421	H₂ONH₃	Water Ammonia Dimer	h2onh3
422	LiCl^-	lithium chloride anion	licl-
423	LiCl⁺	lithium chloride cation	licl+
424	NaF	sodium fluoride	naf
425	NaF^-	sodium fluoride anion	naf-
426	KF	Potassium Fluoride	kf
427	NaCl	Sodium Chloride	nacl
428	NaCl^-	sodium chloride anion	nacl-
429	NaCl⁺	sodium chloride cation	nacl+
430	KCl	Potassium Chloride	kcl
431	CuF	Copper monofluoride	cuf
432	LiBr^-	lithium bromide anion	libr-
433	LiBr⁺	lithium bromide cation	libr+
434	CuCl	Copper monochloride	cucl
435	NaBr	Sodium Bromide	nabr
436	NaBr^-	sodium bromide anion	nabr-
437	NaBr⁺	sodium bromide cation	nabr+
438	KBr	Potassium Bromide	kbr
439	KI	Potassium Iodide	ki
440	LiF^-	lithium fluoride anion	lif-
441	BeF	Beryllium monofluoride	bef
442	BeF^-	Beryllium monofluoride anion	bef-
443	BeF⁺	Beryllium monofluoride cation	bef+
444	BeCl	beryllium monochloride	becl
445	MgF	Magnesium monofluoride	mgf
446	MgF^-	magnesium fluoride anion	mgf-
447	MgF⁺	magnesium fluoride cation	mgf+
448	CaF	Calcium monofluoride	caf
449	MgCl	magnesium monochloride	mgcl
450	MgCl^-	magnesium monochloride anion	mgcl-
451	MgCl⁺	magnesium monochloride cation	mgcl+
452	CaCl	calcium monochloride	cacl
453	ZnF^-	Zinc monofluoride anion	znf-
454	ZnF⁺	Zinc monofluoride cation	znf+
455	ZnCl	Zinc monochloride	zncl
456	BeCl^-	beryllium monochloride anion	becl-
457	BeCl⁺	beryllium monochloride cation	becl+
458	BF	Boron monofluoride	bf
459	BF^-	Boron monofluoride anion	bf-
460	BF⁺	Boron monofluoride cation	bf+
461	AlF	Aluminum monofluoride	alf
462	AlF^-	Aluminum monofluoride anion	alf-
463	AlF⁺	Aluminum monofluoride cation	alf+
464	BCl	boron monochloride	bcl
465	BCl^-	boron monochloride anion	bcl-
466	BCl⁺	boron monochloride cation	bcl+
467	AlCl	Aluminum monochloride	alcl
468	AlCl^-	aluminum monochloride anion	alcl-
469	AlCl⁺	aluminum monochloride cation	alcl+
470	ScF	Scandium monofluoride	scf
471	BBr	Boron monobromide	bbr
472	GaF	Gallium monofluoride	gaf
473	GaCl	Gallium monochloride	gacl
474	AlI	Aluminum monoiodide	ali
475	GaBr	Gallium monobromide	gabr
476	CF^-	carbon monofluoride anion	cf-
477	CF⁺	carbon monofluoride cation	cf+
478	CCl	carbon monochloride	ccl
479	CCl^-	carbon monochloride anion	ccl-
480	CCl⁺	carbon monochloride cation	ccl+
481	SiF^-	silicon monofluoride anion	sif-
482	SiCl	Clorosilylidyne	sicl
483	SiCl^-	silicon monochloride anion	sicl-
484	SiCl⁺	silicon monochloride cation	sicl+
485	GeF	Germanium monofluoride	gef
486	GeCl	Germanium monochloride	gecl
487	NF	nitrogen fluoride	nf
488	NF^-	nitrogen monofluorine anion	nf-
489	NF⁺	nitrogen monofluoirde cation	nf+
490	NCl^-	nitrogen monochloride anion	ncl-
491	NCl⁺	nitrogen monochloride cation	ncl+
492	PF	phosphorus monofluoride	pf
493	PF^-	phosphorus monofluoride anion	pf-
494	PF⁺	phosphorus monofluoride cation	pf+
495	PCl	phosphorus chloride	pcl
496	PCl^-	phosphorus monochloride anion	pcl-
497	PCl⁺	phosphorus monochloride cation	pcl+
498	AsF	Arsenic monofluoride	asf
499	NBr	nitrogen monobromide	nbr
500	SbF	Antimony monofluoride	sbf
501	SbCl	Antimony monochloride	sbcl
502	FO^-	flourine oxide anion	fo-
503	FO⁺	fluorine monoxide cation	fo+
504	ClO	Monochlorine monoxide	clo
505	ClO^-	chlorine monoxide anion	clo-
506	ClO⁺	chlorine monoxide cation	clo+
507	SF	Monosulfur monofluoride	sf
508	SF^-	sulfur monofluoride anion	sf-
509	SF⁺	sulfur monofluoride cation	sf+
510	SCl^-	sulfur monochloride anion	scl-
511	SCl⁺	sulfur monochloride cation	scl+
512	BrO	Bromine monoxide	bro
513	BrO^-	Bromine monoxide anion	bro-
514	BrO⁺	Bromine monoxide cation	bro+
515	SeF	Selenium monofluoride	sef
516	SBr	Sulfur monobromide radical	sbr
517	SBr⁺	Sulfur monobromide cation	sbr+
518	IO	Iodine monoxide	io
519	SeBr	Selenium monobromide	sebr
520	ClF^-	clorine monofluoride anion	clf-
521	Cl₂	Chlorine diatomic	cl2
522	Cl₂^-	chlorine diatomic anion	cl2-
523	BrF^-	bromine fluoride anion	brf-
524	BrF⁺	bromine fluoride cation	brf+
525	BrCl^-	bromine chloride anion	brcl-
526	BrCl⁺	bromine chloride cation	brcl+
527	IF	Iodine monofluoride	if
528	ICl	Iodine monochloride	icl
529	IBr	Iodine monobromide	ibr
530	I₂	Iodine diatomic	i2
531	I₂⁺	Iodine diatomic cation	i2+
532	HCCl	Chloromethylene	hccl
533	HSiF	fluorosilylene	hsif
534	HSiCl	Chlorosilylene	hsicl
535	HSiBr	monobromosilylene	hsibr
536	CHBr	bromomethylene	chbr
537	HOF	Hypofluorous acid	hfo
538	DOCl	Hypochlorous acid-d	docl
539	HOBr	Hypobromous acid	hobr
540	HOBr⁺	Hypobromous acid cation	hobr+
541	HOI	Hypoiodous acid	hoi
542	FHF	Hydrogen difluoride	fhf
543	FHF^-	Hydrogen difluoride anion	fhf-
544	NH₂F	monofluoroamine	nh2f
545	H₂F₂	Hydrogen fluoride dimer	h2f2
546	CD₃F	methylfluoride-d3	cd3f
547	CD₃Cl	methyl chloride d3	cd3cl
548	CH₃Cl⁺	Methyl chloride cation	ch3cl+
549	SiH₃F	monofluorosilane	sih3f
550	GeH₃F	monofluorogermane	geh3f
551	GeH₃Cl	monochlorogermane	geh3cl
552	CH₃I	methyl iodide	ch3i
553	SiH₃I	Silyl Iodide	sih3i
554	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
555	Ne₂	Neon diatomic	ne2
556	Ne₂⁺	Neon diatomic cation	ne2+
557	Li₃	Lithium trimer	li3
558	Li₃⁺	Lithium trimer cation	li3+
559	C₃⁺	carbon trimer cation	c3+
560	SiC₂	Silicon dicarbide	sic2
561	C₃H₃	cyclopropenyl radical	cpr
562	C₃H₃	Propargyl radical	propargyl
563	C₃H₃^-	Propargyl anion	c3h3-
564	C₃H₃⁺	cyclopropenyl cation	cpr+
565	C₃H₃⁺	Propargyl cation	c3h3+
566	CH₂CCH₂	allene	allene
567	C₃H₅	Allyl radical	allyl
568	C₃H₅⁺	Allyl cation	allyl+
569	CH₃CHCH	1-propenyl radical	ch3chch
570	Zn(CH₃)₂	dimethyl zinc	dmz
571	C₃H₆	Cyclopropane	c3h6
572	CH₃CHCH₃	Isopropyl radical	isopropyl
573	SiH₂(CH₃)₂	dimethylsilane	dms
574	NaCN	Sodium Cyanide	nacn
575	CuCN	Copper cyanide	cucn
576	AlCN	Aluminum monocyanide	alcn
577	AlNC	Aluminum isocyanide	alnc
578	CN₂	3H-Diazirin-3-ylidene	cn2
579	CNN	Diazocarbene	cnn
580	NCN	Cyanoimidogen	ncn
581	N₃^-	azide anion	n3-
582	HCCN	cyanomethylene	hccn
583	HCNN	diazomethyl radical	hcnn
584	HN₃	hydrogen azide	hn3
585	CH₂N₂	diazirine	ch2n2
586	CH₂NN	diazomethane	ch2nn
587	NH₂CN	cyanamide	cyanamide
588	CH₃CN⁺	Acetonitrile cation	ch3cn+
589	CH₃NC	methyl isocyanide	ch3nc
590	CH₂CHNH	vinylazine	ch2chnh
591	CH₃CHN	methylmethaniminyl radical	ch3chn
592	NHCHNH₂	aminomethanimine	cn2h4
593	C₂H₅N	Aziridine	c2h5n
594	CH₂CHNH₂	aminoethene	aminoethene
595	CH₂NCH₃	N-methylmethanimine	nmm
596	CH₃CHNH	ethanimine	ethanimine
597	NH₂BHNH₂	diaminoborane	nh2bhnh2
598	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
599	CH₃NHCH₃	Dimethylamine	ch3nhch3
600	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
601	Li₂O⁺	dilithium oxide cation	li2o+
602	Li₂S	dilithium sulfide	li2s
603	LiO₂	Lithium dioxide	lio2
604	CCO	Dicarbon monoxide	cco
605	CNO^-	fulminate	cno-
606	NCO^-	cyanate	nco-
607	SCN	thiocyanato radical	scn
608	SCN^-	thiocyanide anion	scn-
609	BO₂	Boron dioxide	bo2
610	BO₂^-	Boron dioxide anion	bo2-
611	BO₂⁺	Boron dioxide cation	bo2+
612	N₂O⁺	Nitrous oxide cation	n2o+
613	NNS	Nitrogen sulfide	nns
614	PPO	Phosphorus oxide phosphide	ppo
615	CO₂	Carbon dioxide	co2
616	CO₂^-	Carbon dioxide anion	co2-
617	CO₂⁺	Carbon dioxide cation	co2+
618	OCS⁺	Carbonyl sulfide cation	cos+
619	SiO₂	silicon dioxide	sio2
620	CS₂^-	Carbon disulfide anion	cs2-
621	CS₂⁺	Carbon disulfide cation	cs2+
622	TiO₂	Titanium dioxide	tio2
623	SiS₂	Silicon disulfide	sis2
624	GeO₂	Germanium dioxide	geo2
625	GeS₂	Germanium disulfide	ges2
626	CSe₂	Carbon diselenide	cse2
627	SCTe	Carbon sulfide Telluride	scte
628	NO₂^-	Nitrogen dioxide anion	no2-
629	PO₂	Phosphorus dioxide	po2
630	PO₂^-	Phosphorus dioxide anion	po2-
631	PO₂⁺	Phosphorus dioxide cation	po2+
632	AsO₂	Aresenic dioxide	aso2
633	O₃^-	Ozone anion	o3-
634	O₃⁺	Ozone cation	o3+
635	SO₂	Sulfur dioxide	so2
636	SO₂^-	Sulfur dioxide anion	so2-
637	SO₂⁺	Sulfur dioxide cation	so2+
638	SSO	Disulfur monoxide	sso
639	S₃^-	Sulfur trimer anion	s3-
640	S₃⁺	Sulfur trimer cation	s3+
641	TeO₂	Tellurium Dioxide	teo2
642	CS₂H⁺	Carbon disulfide, protonated	cs2h+
643	HCNO	fulminic acid	hcno
644	HNCO	Isocyanic acid	hnco
645	HOCN	cyanic acid	hocn
646	HCO₂^-	formate anion	hco2-
647	HNNO	nitrosoazane	hnno
648	HCOO	formate neutral radical	hcoo
649	HOCO⁺	Hydrocarboxyl cation	hoco+
650	HNO₂	Nitrous acid	hno2
651	HNO₂⁺	nitrous acid cation	hno2+
652	CH₂CO⁺	Ketene cation	ch2co+
653	HCCOH	ethynol	hccoh
654	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
655	NH₂NO	Nitrosamide	nh2no
656	CH₂O₂	Dioxirane	diox
657	H₂O₃	Hydrogen trioxide	h2o3
658	HSSSH	trisulfane	hsssh
659	NaOCH₃	Sodium methoxide	naoch3
660	CH₂CHO	Vinyloxy radical	ch2cho
661	CH₃CO	Acetyl radical	ch3co
662	CH₃CO^-	Acetyl anion	ch3co-
663	CH₃CO⁺	acetyl cation	ch3co+
664	CHONH₂	formamide	formamide
665	CH₂OOH	CH2OOH radical	ch2ooh
666	CH₃OO	methylperoxy radical	ch3oo
667	CH₃OO^-	methylperoxy anion	ch3oo-
668	CH₃OO⁺	methylperoxy cation	ch3oo+
669	CH₂CHOH	ethenol	ch2choh
670	H₂CONH₂⁺	protonated formamide	h2conh2+
671	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
672	CH₂(OH)₂	methanediol	ch2o2h2
673	CH₃OOH	Methyl peroxide	ch3ooh
674	H₂OH₂CO	water formaldehyde dimer	h2oh2co
675	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
676	CH₃CH₂O	Ethoxy radical	ethoxy
677	CH₃OCH₂	methoxymethyl radical	ch3och2
678	CH₃CH₂OH	Ethanol	etoh
679	CH₃OCH₃	Dimethyl ether	meome
680	CH₃OHH₂O	methanol water dimer	ch3ohh2o
681	H₂OCH₃OH	water methanol dimer	h2och3oh
682	CuF₂	Copper difluoride	cuf2
683	ZnF₂	Zinc difluoride	znf2
684	FCN	Cyanogen fluoride	fcn
685	ClCN	chlorocyanogen	clcn
686	FBO	Boron monofluoride monoxide	fbo
687	BeF₂	Beryllium fluoride	bef2
688	MgF₂	Magnesium fluoride	mgf2
689	BeCl₂	Beryllium chloride	becl2
690	MgCl₂	Magnesium dichloride	mgcl2
691	CaCl₂	Calcium Chloride	cacl2
692	ZnCl₂	Zinc dichloride	zncl2
693	BeBr₂	Beryllium bromide	bebr2
694	CaF₂	Calcium difluoride	caf2
695	FCO	Carbonyl fluoride	fco
696	FCO⁺	Carbonyl fluoride cation	fco+
697	ClCO	carbonyl monochloride	clco
698	FNO	Nitrosyl fluoride	fno
699	ClNO	Nitrosyl chloride	clno
700	BrNO	Nitrosyl bromide	brno
701	CF₂^-	Difluoromethylene anion	cf2-
702	CF₂⁺	Difluoromethylene cation	cf2+
703	SiF₂	Silicon difluoride	sif2
704	CCl₂	dichloromethylene	ccl2
705	CCl₂^-	dichloromethylene anion	ccl2-
706	CCl₂⁺	dichloromethylene cation	ccl2+
707	SiCl₂	Dichlorosilylene	sicl2
708	GeF₂	Germanium difluoride	gef2
709	GeCl₂	Germanium dichloride	gecl2
710	FOO	Dioxygen monofluoride radical	foo
711	FOO⁺	Fluorine dioxide cation	foo+
712	ClOO	chloroperoxy radical	cloo
713	ClOO⁺	chloroperoxy cation	cloo+
714	OClO	Chlorine dioxide	oclo
715	OClO⁺	Chlorine dioxide cation	oclo+
716	ClS₂	Sulfur chloride	cls2
717	NF₂	Difluoroamino radical	nf2
718	NF₂⁺	Difluoroamino cation	nf2+
719	PF₂⁺	Phosphorus difluoride cation	pf2+
720	F₂O	Difluorine monoxide	f2o
721	SF₂^-	sulfur difluoride anion	sf2-
722	SF₂⁺	sulfur difluoride cation	sf2+
723	Cl₂O	Dichlorine monoxide	cl2o
724	SCl₂	Sulfur dichloride	scl2
725	SeF₂	Selenium difluoride	sef2
726	BrOCl	Bromine hypochlorite	brocl
727	SeCl₂	Selenium Dichloride	secl2
728	SBr₂	Sulfur dibromide	sbr2
729	SeBr₂	Selenium dibromide	sebr2
730	BrOBr	Bromine oxide	brobr
731	F₃^-	trifluoride anion	f3-
732	Cl₃^-	trichloride anion	cl3-
733	Br₃^-	tribromide anion	br3-
734	I₃^-	triiodide	i3-
735	HCCF	Fluoroacetylene	hccf
736	HCCF⁺	fluoroacetylene cation	hccf+
737	HCCCl	Chloroacetylene	hcccl
738	HFCO	formyl fluoride	hfco
739	HFCO⁺	formyl fluoride cation	hfco+
740	COHCl	Formyl chloride	cohcl
741	COHBr	Formyl bromide	cohbr
742	BHF₂	Difluoroborane	bhf2
743	BHCl₂	Borane, dichloro-	bhcl2
744	CHF₂	difluoromethyl radical	chf2
745	HOClO	Chlorous acid	hoclo
746	CH₂F₂	Methane, difluoro-	ch2f2
747	CH₂FCl	fluorochloromethane	ch2fcl
748	CH₂Br₂	dibromomethane	ch2br2
749	CH₂ClI	chloroiodomethane	ch2cli
750	CH₂BrI	bromoiodomethane	ch2bri
751	CH₃MgBr	Methyl Magnesium Bromide	ch3mgbr
752	CH₂CHF	Ethene, fluoro-	ch2chf
753	CH₂CHF⁺	fluoroethene cation	ch2chf+
754	C₂H₃Cl	Ethene, chloro-	ch2chcl
755	C₂H₃Br	vinyl bromide	c2h3br
756	CH₃OCl	methyl hypochlorite	ch3ocl
757	C₂H₅F	fluoroethane	c2h5f
758	CH₃CH₂Cl	Ethyl chloride	c2h5cl
759	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
760	C₂H₅Br	Ethyl bromide	etbr
761	C₂H₅I	Ethyl iodide	c2h5i
762	KrF₂	Krypton difluoride	krf2
763	B₄H₁₀	Tetraborane(10)	b4h10
764	C₄⁺	Carbon tetramer cation	c4+
765	C₄H₂	Diacetylene	c4h2
766	C₂H₃CCH	1-Buten-3-yne	c2h3cch
767	C₄H₄	cyclobutadiene	cbd
768	H₂CCCCH₂	Butatriene	h2cccch2
769	C₄H₆	1-Methylcyclopropene	c3100047
770	C₄H₆	Cyclobutene	c822355
771	C₄H₆	Methylenecyclopropane	c6142730
772	CH₂CCHCH₃	1,2-Butadiene	butad12
773	CH₂CHCHCH₂	1,3-Butadiene	c106990
774	CH₃CCCH₃	2-Butyne	c503173
775	CHCCH₂CH₃	1-Butyne	c107006
776	CH₃CHCHCH₂	methylallyl radical	c4h7
777	C₄H₈	methylcyclopropane	mcp
778	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
779	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
780	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
781	B(CH₃)₃	trimethylborane	bme3
782	Al(CH₃)₃	trimethyl aluminum	tma
783	C(CH₃)₃	Tert-butyl radical	tbutyl
784	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
785	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
786	CH₃CH(CH₃)CH₃	Isobutane	isobutane
787	SiH(CH₃)₃	trimethylsilane	trimsi
788	Li₃N	trilithium nitride	li3n
789	C₂N₂⁺	Cyanogen cation	c2n2+
790	P₄	Phosphorus tetramer	p4
791	HCCCN	Cyanoacetylene	hcccn
792	C₃H₃N	acrylonitrile	ch2chcn
793	C₃H₃N⁺	acrylonitrile cation	ch2chcn+
794	C₂H₅CN	ethyl cyanide	c2h5cn
795	CH₅N₃	Guanidine	guanidine
796	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
797	CH₆N₃⁺	guanidinium	ch6n3+
798	C₃H₇N	Cyclopropylamine	cpram
799	C₃H₇N	Azetidine	azet
800	C₂H₈N₂	Ethylenediamine	ethdiam
801	CH₃NHNHCH₃	dimethyl hydrazine	dmh
802	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
803	N(CH₃)₃	Trimethylamine	trimeam
804	P(CH₃)₃	trimethylphosphine	tmp
805	As(CH₃)₃	trimethyl arsine	tmas
806	Li₂O₂	dilithium dioxide	li2o2
807	Na₂O₂	disodium dioxide	na2o2
808	K₂O₂	dipotassium dioxide	k2o2
809	B₂O₂	Diboron dioxide	b2o2
810	CO₃	Carbon trioxide	co3
811	CO₃^--	carbonate	co3--
812	NO₃	Nitrogen trioxide	no3
813	NO₃⁺	nitrogen trioxide cation	no3+
814	SO₃^-	Sulfur trioxide anion	so3-
815	SO₃^--	Sulfate dianion	so3--
816	SO₃⁺	Sulfur trioxide cation	so3+
817	SeO₃	selenium trioxide	seo3
818	TeO₃	Tellurium trioxide	teo3
819	HCO₃^-	bicarbonate anion	hco3-
820	HNO₃	Nitric acid	hno3
821	HSO₃	Hydroxysulfonyl radical	hso3
822	C₂H₂CO	cyclopropenone	c2h2co
823	HCCCHO	2-propynal	hcccho
824	C₂H₂O₂	Ethanedial	c2h2o2
825	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
826	H₂CO₃	Carbonic acid	h2co3
827	H₂CS₃	thiocarbonic acid	h2cs3
828	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
829	H₂SO₃	Sulfurous acid	h2so3
830	C₂H₃NO	Nitrosoethylene	c2h3no
831	CH₃COO^-	acetate anion	ch3coo-
832	CH₃ONO	Methyl nitrite	ch3ono
833	NH₂COOH	Carbamic acid	nh2cooh
834	H₃BO₃	Boric acid	h3bo3
835	H₃CO₃⁺	carbonic acid, protonated	h3co3+
836	C₃H₄O	2-Propyn-1-ol	c107197
837	C₃H₄O	allenol	c9000071
838	C₃H₄O	Cyclopropanone	cpone
839	C₃H₄O	Methylketene	c6004440
840	CH₂CHCHO	Acrolein	c3h4o
841	NH₂CONH₂⁺	Urea cation	urea+
842	NH₂CSNH₂	Thiourea	thiourea
843	C₂H₄O₂	1,3-dioxetane	c2h4o2
844	CH₃COOH	Acetic acid	ch3cooh
845	CH₃OCHO	methyl formate	ch3ocho
846	CHOCH₂OH	hydroxy acetaldehyde	haa
847	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
848	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
849	HCOOHH₂O	Formic acid water dimer	hcoohh2o
850	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
851	CH₃COCH₂	Acetonyl radical	ch3coch2
852	CH₃CONH₂	Acetamide	acetamide
853	C₂H₅OO	ethylperoxy radical	c2h5oo
854	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
855	C₃H₆O	2-Propen-1-ol	c107186
856	C₃H₆O	Oxetane	oxetane
857	C₃H₆O	Propylene oxide	prox
858	CH₃COCH₃	Acetone	acetone
859	CH₃COCH₃^-	acetone anion	ch3coch3-
860	C₃H₆S	Thietane	thietane
861	C₃H₆S	Thiirane, methyl-	methiirane
862	CH₃CSCH₃	Thioacetone	ch3csch3
863	C₂H₆O₂	1,2-Ethanediol	ethdiol
864	CH₃OOCH₃	dimethylperoxide	dmp
865	CH₃SOCH₃	Dimethyl sulfoxide	dmso
866	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
867	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
868	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
869	HOCH₂CH₂NH₂	monoethanolamine	mea
870	C₃H₇OH	1-Propanol	proh
871	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
872	CH₃OC₂H₅	Ethane, methoxy-	etome
873	C₃H₇SH	1-Propanethiol	prsh
874	CH₃CHSHCH₃	2-Propanethiol	isoprsh
875	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
876	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
877	Na₂F₂	Sodium Fluoride Dimer	na2f2
878	Na₂Cl₂	Disodium dichloride	na2cl2
879	C₂F₂	difluoroacetylene	c2f2
880	C₂Cl₂	dichloroacetylene	c2cl2
881	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
882	ClNO₂	Nitryl chloride	clno2
883	BrONO	Bromine nitrite	brono
884	N₂F₂	(Z)-Difluorodiazene	n2f2_z
885	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
886	CF₂O	Carbonic difluoride	f2co
887	COFCl	Carbonic chloride fluoride	cofcl
888	CCl₂O	Phosgene	cl2co
889	Cl₂CS	Thiophosgene	cl2cs
890	COBr₂	Carbonic dibromide	cobr2
891	BF₃	Borane, trifluoro-	bf3
892	BF₃^-	Borane, trifluoro- anion	bf3-
893	AlF₃	Aluminum trifluoride	alf3
894	BClF₂	Chlorodifluoroborane	bclf2
895	AlF₂Cl	Aluminum chloride difluoride	alclf2
896	ScF₃	Scandium trifluoride	ScF3
897	AlFCl₂	Aluminum dichloride fluoride	alcl2f
898	BCl₃⁺	Boron Trichloride cation	bcl3+
899	GaF₃	Gallium trifluoride	gaf3
900	AlCl₃	Aluminum trichloride	alcl3
901	GaCl₃	Gallium trichloride	gacl3
902	BBr₃	Boron tribromide	bbr3
903	AlBr₃	Aluminum Bromide	albr3
904	ClO₃	Chlorine trioxide	clo3
905	ClO₃^-	chlorate anion	clo3-
906	BrO₃^-	Bromate anion	bro3-
907	CF₃	Trifluoromethyl radical	cf3
908	CF₃^-	Trifluoromethyl anion	cf3-
909	CF₃⁺	Trifluoromethyl cation	cf3+
910	CCl₃	Trichloromethyl radical	ccl3
911	CCl₃^-	Trichloromethyl anion	ccl3-
912	CCl₃⁺	Trichloromethyl cation	ccl3+
913	SiCl₃	trichlorosilyl radical	sicl3
914	SiCl₃⁺	trichlorosilyl cation	sicl3+
915	FOOF	Perfluoroperoxide	foof
916	F₂SO	Thionyl Fluoride	f2so
917	FSSF	Difluorodisulfane	fssf
918	S₂F₂	Thio-thionyl fluoride	s2f2
919	SOCl₂	thionyl chloride	socl2
920	SeOCl₂	selenium oxychloride	seocl2
921	NF₃	Nitrogen trifluoride	nf3
922	NF₃^-	Nitrogen trifluoride anion	nf3-
923	NF₃⁺	Nitrogen trifluoride cation	nf3+
924	PF₃	Phosphorus trifluoride	pf3
925	AsF₃	Arsenic trifluoride	asf3
926	PCl₃	Phosphorus trichloride	pcl3
927	SbF₃	Antimony Trifluoride	sbf3
928	SbCl₃	Antimony Trichloride	sbcl3
929	PBr₃	Phosphorus tribromide	pbr3
930	AsBr₃	Arsenic tribromide	asbr3
931	PI₃	Phosphorus triiodide	pi3
932	ClSSCl	Disulfur dichloride	s2cl2
933	SF₃	Sulfur trifluoride	sf3
934	BrF₃	Bromine trifluoride	brf3
935	IF₃	iodone trifluoride	if3
936	CHF₃	Methane, trifluoro-	chf3
937	CHF₂Cl	difluorochloromethane	chf2cl
938	CHFCl₂	fluorodichloromethane	chfcl2
939	CDCl₃	trichloromethane-d	cdcl3
940	CHCl₃	Chloroform	chcl3
941	CHBrF₂	Methane, bromodifluoro-	chbrf2
942	SiHCl₃	Trichlorosilane	sihcl3
943	CHF₂I	difluoroiodomethane	chf2i
944	CHFClI	fluorochloroiodomethane	chfcli
945	CHCl₂I	dichloroiodomethane	chcl2i
946	CHClBr₂	Methane, dibromochloro-	chclbr2
947	CHBr₃	bromoform	chbr3
948	CHI₃	Iodoform	chi3
949	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
950	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
951	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
952	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
953	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
954	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
955	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
956	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
957	CH₃COF	Acetyl fluoride	ch3cof
958	CH₂ClCHO	chloroacetaldehyde	ch2clcho
959	CH₃COCl	Acetyl Chloride	ch3cocl
960	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
961	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
962	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
963	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
964	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
965	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
966	CH₂CFCH₃	2-fluoropropene	2fpro
967	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
968	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
969	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
970	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
971	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
972	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
973	CH₃CH₂CH₂Br	n-propyl bromide	prbr
974	CH₃CHBrCH₃	i-propyl bromide	iprbr
975	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
976	C₅H₅	cyclopentadienyl radical	c5h5
977	C₅H₅^-	cylopentadienyl anion	c5h5-
978	C₅H₆	1,3-Cyclopentadiene	c542927
979	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
980	C₅H₆	3-Penten-1-yne, (E)-	c2004695
981	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
982	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
983	C₅H₆	Cyclopropylacetylene	c6746947
984	C₅H₇	1,3-pentadienyl radical	pdyl
985	C₅H₇	cyclopentenyl radical	cpyl
986	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
987	C₅H₈	1,2-Pentadiene	c591957
988	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
989	C₅H₈	1,3-Pentadiene, (E)-	c2004708
990	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
991	C₅H₈	1,4-Pentadiene	c591935
992	C₅H₈	1-pentyne	a1pentyne
993	C₅H₈	2,3-Pentadiene	c591968
994	C₅H₈	Cyclobutane, methylene-	c1120565
995	C₅H₈	Cyclopentene	c142290
996	C₅H₈	Ethenylcyclopropane	c693867
997	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
998	C₅H₁₀	1-Butene, 2-methyl-	c563462
999	C₅H₁₀	2-Butene, 2-methyl-	c513359
1000	C₅H₁₀	2-Pentene, (E)-	c646048
1001	C₅H₁₀	2-Pentene, (Z)-	c627203
1002	C₅H₁₀	Cyclopentane	c287923
1003	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
1004	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
1005	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
1006	C₅H₁₂	Butane, 2-methyl-	buta2
1007	C₅H₁₂	Pentane	pentane
1008	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
1009	Si(CH₃)₄	tetramethylsilane	tms
1010	N₂O₃	Dinitrogen trioxide	n2o3
1011	C₃H₂N₂	Malononitrile	c3h2n2
1012	CH₂N₄	1H-Tetrazole	1htz
1013	C₃H₃N₂	imidazolyl radical	im
1014	C₃H₃N₂^-	imidizolyl anion	im-
1015	C₂H₃N₃	1H-1,2,4-Triazole	c288880
1016	C₄H₄N	pyrrolide radical	c4h4n
1017	C₄H₄N^-	pyrrolide anion	c4h4n-
1018	C₃H₄N₂	1H-Pyrazole	1hpyraz
1019	C₄H₅N	(E)-2-Butenenitrile	c627269
1020	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1021	C₄H₅N	2H-pyrrole	pyrrole2
1022	C₄H₅N	3H-pyrrole	pyrrole3
1023	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1024	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1025	C₃H₆N₂	3-Aminopropionitrile	c151188
1026	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1027	CH₃CH₂CH₂CN	Butanenitrile	c109740
1028	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1029	C₅H₈	Spiropentane	c157404
1030	C₄H₉N	Cyclobutylamine	cbam
1031	C₄H₉N	Pyrrolidine	pyrrolidine
1032	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1033	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1034	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1035	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1036	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1037	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1038	C₃O₂⁺	Carbon suboxide cation	c3o2+
1039	B₂O₃	diboron trioxide	b2o3
1040	CaCO₃	Calcium Carbonate	caco3
1041	ONONO	Nitrosyl nitrite	onono
1042	PO₄^---	phosphate	po4---
1043	SO₄^--	sulfate	so4--
1044	HOONO₂	peroxy nitric acid	hoono2
1045	HSO₄^-	bisulfate anion	hso4-
1046	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1047	C₃H₂O₂	Propiolic acid	c3h2o2
1048	CHOCOOH	oxo acetic acid	oaa
1049	H₂SO₄	Sulfuric acid	h2so4
1050	H₂SeO₄	Selenic acid	h2seo4
1051	C₃H₃NO	Isoxazole	isox
1052	C₃H₃NO	Oxazole	oxazole
1053	C₃H₃NS	Thiazole	thiazole
1054	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1055	CH₃NO₃	Methyl nitrate	ch3no3
1056	H₃PO₄	Phosphoric Acid	h3po4
1057	C₄H₄O	Furan	furan
1058	C₄H₄O⁺	Furan cation	furan+
1059	C₄H₄S	Thiophene	furans
1060	C₃H₄O₂	β–Propiolactone	beta
1061	C₃H₄O₂	2-Propenoic acid	propenoic2
1062	C₃H₄O₂	Methyl glyoxal	megly
1063	C₃H₄O₂	propanedial	propanedial
1064	C₃H₄O₂	propenalol	propenalol
1065	HOCHCCHOH	allenediol	aldiol
1066	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1067	C₂H₄O₃	trioxolane124	triox
1068	HOCH₂COOH	Hydroxyacetic acid	hac
1069	CH₂CHCONH₂	Acrylamide	c79061
1070	CH₅N₃S	Hydrazinecarbothioamide	c79196
1071	H₂NCH₂COOH	Glycine	glycine
1072	C₄H₆O	cis-2-butenal	butenal2c
1073	C₄H₆O	Cyclobutanone	cbutone
1074	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1075	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1076	CH₂CHOCHCH₂	Vinyl ether	vinylether
1077	CHOCHCHCH₃	2-Butenal	butenal2
1078	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1079	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1080	C₂H₆N₂O	Urea, methyl-	c598505
1081	C₃H₆O₂	1,3-Dioxolane	dioxolane
1082	CH₃CH₂COOH	Propanoic Acid	propanoic
1083	CH₃COOCH₃	methyl acetate	aame
1084	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1085	C₃H₇NO	dimethylformamide	dmf
1086	C₃H₇NO	Propanamide	propanam
1087	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1088	C₄H₈O	Cyclobutanol	c2919235
1089	C₄H₈O	Furan, tetrahydro-	thf
1090	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1091	CH₃COCH₂CH₃	2-Butanone	buta2one
1092	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1093	CHOCH₂CH₂CH₃	Butanal	butanal
1094	C₃H₈O₂	1,3-Propanediol	c504632
1095	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1096	C₃H₈O₂	Methane, dimethoxy-	c109875
1097	C₃H₈O₂	Propylene glycol	c57556
1098	C₃H₈S₂	1,3-Propanedithiol	c109808
1099	C₄H₁₀O	1-Butanol	butanol1
1100	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1101	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1102	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1103	C₄H₁₀O	Ethoxy ethane	etoet
1104	C₄H₁₀O	Propane, 2-methoxy-	c598538
1105	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1106	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1107	C₂H₅SC₂H₅	Diethyl sulfide	etset
1108	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1109	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1110	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1111	FNO₃	Fluorine nitrate	fno3
1112	ClONO₂	Chlorine nitrate	clono2
1113	BrONO₂	Bromine nitrate	brono2
1114	TiCl₄	Titanium tetrachloride	ticl4
1115	ClO₄^-	perchlorate anion	clo4-
1116	BF₄^-	tetrafluoroboron anion	bf4-
1117	ClFO₃	Perchloryl fluoride	clfo3
1118	SO₂F₂	Sulfuryl fluoride	so2f2
1119	SO₂Cl₂	Sulfuryl chloride	so2cl2
1120	F₃NO	Nitrogen trifluoride oxide	f3no
1121	F₃PO	Phosphoryl fluoride	pf3o
1122	Cl₃PO	Phosphoryl chloride	pcl3o
1123	CF₄	Carbon tetrafluoride	cf4
1124	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1125	SiF₄	Silicon tetrafluoride	sif4
1126	CF₂Cl₂	difluorodichloromethane	cf2cl2
1127	TiF₄	Titanium tetrafluoride	tif4
1128	CFCl₃	Trichloromonofluoromethane	cfcl3
1129	GeF₄	Germanium tetrafluoride	gef4
1130	CCl₄	Carbon tetrachloride	ccl4
1131	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1132	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1133	SiCl₄	Silane, tetrachloro-	sicl4
1134	CF₃I	trifluoroiodomethane	cf3i
1135	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1136	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1137	GeCl₄	Germanium Tetrachloride	gecl4
1138	CCl₃I	trichloroiodomethane	ccl3i
1139	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1140	CF₂I₂	difluorodiiodomethane	cf2i2
1141	CBr₄	Carbon tetrabromide	cbr4
1142	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1143	CBr₃I	tribromoiododmethane	cbr3i
1144	GeBr₄	Germanium tetrabromide	gebr4
1145	SiI₄	silicon tetraiodide	sii4
1146	SCl₄	Sulfur tetrachloride	scl4
1147	C₂HF₃	Trifluoroethylene	c2hf3
1148	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
1149	CHClCCl₂	Trichloroethylene	chclccl2
1150	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1151	HClO₄	perchloric acid	hclo4
1152	HSO₃F	Fluorosulfonic acid	hso3f
1153	CF₃OH	trifluoromethanol	cf3oh
1154	CHClCCHCl	1,3-dichloroallene	chclcchcl
1155	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1156	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1157	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1158	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1159	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1160	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1161	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1162	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1163	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1164	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1165	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1166	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1167	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1168	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1169	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1170	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1171	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1172	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1173	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1174	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1175	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1176	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1177	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1178	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1179	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1180	C₄H₉F	1-fluorobutane	butaf1
1181	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1182	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1183	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1184	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1185	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1186	C₆H₂	hexatriyne	c6h2
1187	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1188	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1189	C₆H₄	Benzyne	benzyne
1190	C₆H₅	phenyl	phenyl
1191	C₆H₅^-	phenyl anion	phenyl-
1192	C₆H₆	2,4-Hexadiyne	hexadiyne
1193	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1194	C₆H₆	Benzene	benzene
1195	C₆H₆	Trimethylenecycopropane	tmcp
1196	C₆H₆⁺	Benzene cation	c6h6+
1197	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1198	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1199	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1200	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1201	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1202	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1203	C₆H₈	3-Methylenecyclopentene	c930267
1204	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1205	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1206	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1207	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1208	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1209	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1210	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1211	C₆H₁₀	1,5-Hexadiene	c592427
1212	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1213	C₆H₁₀	1-Hexyne	hexyne1
1214	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1215	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1216	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1217	C₆H₁₀	2-Hexyne	c764352
1218	C₆H₁₀	cyclohexene	cyclohexene
1219	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1220	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1221	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1222	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1223	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1224	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1225	C₆H₁₂	(E)-2-Hexene	e2hexene
1226	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1227	C₆H₁₂	(E)-hex-3-ene	e3hexene
1228	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1229	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1230	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1231	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1232	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1233	C₆H₁₂	3-methylenepentane	c760214
1234	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1235	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1236	C₆H₁₂	Cyclohexane	cyclohexane
1237	C₆H₁₂	Cyclopentane, methyl-	c96377
1238	C₆H₁₂	Ethylcyclobutane	c4806615
1239	C₆H₁₂	hex-1-ene	hexene1
1240	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1241	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1242	C₆H₁₄	Hexane	hexane
1243	C₆H₁₄	Pentane, 2-methyl-	penta2
1244	C₆H₁₄	Pentane, 3-methyl-	penta3
1245	C₄N₂	2-Butynedinitrile	c4n2
1246	C₄H₂N₂	Fumaronitrile	c4h2n2
1247	C₂H₂N₄	sym-tetrazine	ttz
1248	C₃H₃N₃	1,3,5-Triazine	triazine135
1249	CH₃N₅	5-Aminotetrazole	c4418615
1250	C₄H₄N₂	1,3-Diazine	diazine13
1251	C₄H₄N₂	Pyrazine	pyrazine
1252	C₄H₄N₂	Pyridazine	pyridazine
1253	C₄H₄N₂	Succinonitrile	c110612
1254	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1255	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1256	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1257	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1258	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1259	C₅H₅N	Pyridine	pyridine
1260	B₃N₃H₆	borazine	borazine
1261	C₆H₆	Fulvene	fulvene
1262	C₅H₆N⁺	Pyridinium	c5h6n
1263	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1264	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1265	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1266	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1267	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1268	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1269	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1270	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1271	C₅H₉N	Pentanenitrile	c110598
1272	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1273	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1274	C₅H₁₁N	Cyclopentanamine	cypentam
1275	C₅H₁₁N	Piperidine	piper
1276	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1277	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1278	Li₂CO₃	Lithium Carbonate	li2co3
1279	Na₂CO₃	Sodium Carbonate	na2co3
1280	C₂O₄^--	oxalate anion	c2o4
1281	N₂O₄	Dinitrogen tetroxide	n2o4
1282	C₂H₃NO₃	Oxamic acid	oxamic
1283	C₄H₄O₂	2(5H)-Furanone	furanone
1284	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1285	C₂H₄N₂O₂	Oxalamide	oxalamide
1286	C₂H₄CO₃	Ethylene carbonate	etco3
1287	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1288	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1289	C₂H₄O₄	Formic acid dimer	fadimer
1290	C₄H₅NO	3-Methylisoxazole	isox3m
1291	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1292	C₄H₅NS	4-Methylthiazole	c693958
1293	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1294	C₅H₆O	2-methylfuran	furan2m
1295	C₅H₆O	3-Methylfuran	furan3m
1296	C₅H₆S	Thiophene, 2-methyl-	c554143
1297	C₅H₆S	Thiophene, 3-methyl-	c616444
1298	C₄H₆O₂	2,3-Butanedione	c431038
1299	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1300	C₄H₆O₂	Crotonic Acid	crot
1301	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1302	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1303	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1304	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1305	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1306	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1307	C₄H₆OS	Vinyl sulfoxide	c1115157
1308	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1309	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1310	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1311	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1312	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1313	C₄H₇NO	2-Pyrrolidinone	c616455
1314	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1315	C₄H₇NO	Methacrylamide	c79390
1316	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1317	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1318	C₃H₇ONO	Propyl nitrite	prono
1319	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1320	CH₃CH(NH₂)COOH	Alanine	alanine
1321	CH₃NHCH₂COOH	Sarcosine	sarcosine
1322	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1323	NH₂COOC₂H₅	Urethane	urethane
1324	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1325	C₅H₈O	Cyclopentanone	c120923
1326	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1327	C₅H₈O	Methyl cyclopropyl ketone	c765435
1328	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1329	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1330	C₄H₈O₂	1,3-Dioxane	dioxan13
1331	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1332	C₄H₈O₂	1,4-Dioxane	dioxan14
1333	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1334	C₄H₈O₂	Ethyl acetate	c141786
1335	C₄H₈OS	s-Ethyl thioacetate	c625605
1336	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1337	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1338	C₄H₉NO	Butanamide	c541355
1339	C₄H₉NO	Propanamide, 2-methyl-	c563837
1340	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1341	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1342	C₅H₁₀O	2-methylbutyraldehyde	2meba
1343	C₅H₁₀O	2-Pentanone	mpk
1344	C₅H₁₀O	Cyclopentanol	c96413
1345	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1346	C₅H₁₀O	Pentanal	pal
1347	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1348	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1349	C₅H₁₀S	Cyclopentanethiol	c1679078
1350	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1351	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1352	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1353	C₄H₁₀O₂	1,3-Butanediol	budiol13
1354	C₄H₁₀O₂	1,4-Butanediol	budiol14
1355	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1356	C₄H₁₀OS	Diethyl sulfoxide	c70291
1357	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1358	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1359	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1360	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1361	C₅H₁₂O	1-Pentanol	pentanol1
1362	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1363	C₅H₁₂O	2-Pentanol	peol2
1364	C₅H₁₂O	3-Pentanol	pentan3ol
1365	C₅H₁₂O	Butane, 1-methoxy-	meobu
1366	C₅H₁₂O	Propane, 1-ethoxy-	proet
1367	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1368	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1369	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1370	C₅H₁₂S	1-Pentanethiol	c110667
1371	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1372	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1373	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1374	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1375	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1376	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1377	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1378	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1379	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1380	B₂F₄	Diboron tetrafluoride	b2f4
1381	B₂Cl₄	Diboron tetrachloride	b2cl4
1382	C₂F₄	Tetrafluoroethylene	c2f4
1383	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1384	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1385	C₂FCl₃	fluorotrichloroethene	c2fcl3
1386	C₂Cl₄	Tetrachloroethylene	c2cl4
1387	C₂Br₄	tetrabromoethene	c2br4
1388	CF₃OF	Trifluoromethylhypofluorite	cf3of
1389	PF₅	Phosphorus pentafluoride	pf5
1390	AsF₅	Arsenic pentafluoride	asf5
1391	PCl₅	Phosphorus pentachloride	pcl5
1392	SF₅	Sulfur pentafluoride	sf5
1393	SbCl₅	Antimony pentachloride	sbcl5
1394	BrF₅	bromine pentafluoride	brf5
1395	ClF₅	chlorinepentafluoride	clf5
1396	IF₅	pentafluoroiodine	if5
1397	CF₃CHO	trifluoroacetaldehyde	cf3cho
1398	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1399	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1400	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1401	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1402	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1403	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1404	CF₃COOH	trifluoroacetic acid	cf3cooh
1405	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1406	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1407	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1408	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1409	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1410	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1411	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1412	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1413	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1414	C₆H₅CH₂	benzyl radical	benzyl
1415	C₆H₅CH₃	toluene	toluene
1416	C₇H₈	cycloheptatriene	cht
1417	C₇H₈	Norbornadiene	norbor
1418	C₇H₈	Quadricyclane	qucy
1419	C₇H₁₂	Norbornane	nor
1420	C₇H₁₄	cycloheptane	c7h14
1421	C₇H₁₆	2-methylhexane	2mhex
1422	C₇H₁₆	3-methylhexane	hex3m
1423	C₇H₁₆	heptane	heptane
1424	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1425	C₆H₇N	2-Methylpyridine	mp
1426	C₆H₅NH₂	aniline	aniline
1427	C₆H₁₃N	2-Methylpiperidine	pip2m
1428	C₆H₁₃N	cyclohexanamine	cham
1429	C₆H₁₅N	triethylamine	tea
1430	N₂O₅	Dinitrogen pentoxide	n2o5
1431	C₄H₂O₃	Maleic Anhydride	malan
1432	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1433	C₅H₄O₂	furfural	furfural
1434	C₆H₅O	phenoxy radical	phenoxy
1435	C₅H₅NO	2(1H)-Pyridinone	c72762006
1436	C₅H₅NO	2(3H)-Pyridinone	c9000048
1437	C₅H₅NO	2(5H)-Pyridinone	c9000037
1438	C₅H₅NO	2-Pyridinol	c109104
1439	C₅H₅NO	3(2H)-Pyridinone	c9000004
1440	C₅H₅NO	3(4H)-Pyridinone	c9000026
1441	C₅H₅NO	3(6H)-Pyridinone	c9000015
1442	C₅H₅NO	3-Pyridinol	c109002
1443	C₅H₅NO	4(1H)-Pryidinone	c9000060
1444	C₅H₅NO	4(3H)-Pryidinone	c9000059
1445	C₅H₅NO	4-Pyridinol	c626642
1446	C₆H₅OH	phenol	phenol
1447	C₆H₆O	2,4-Cyclohexadienone	c24599573
1448	C₆H₆O	2,5-Cyclohexadienone	c5664335
1449	C₆H₅SH	Benzenethiol	phsh
1450	HO₂CCHNH₂CH₂OH	Serine	serine
1451	C₅H₈O₂	Acetylacetone	acac
1452	C₄H₈O₂S	Sulfolane	sulfolane
1453	C₇H₁₀	Norbornene	norbornene
1454	CH(C₂H₃)₃	trivinyl methane	tvm
1455	C₆H₁₀O	cyclohexanone	chexo
1456	C₆H₁₂O	hexanal	c6h12o
1457	C₃H₇OC₃H₇	di-n-propyl ether	propr
1458	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1459	PF₆^-	Hexafluorophosphate ion	pf6-
1460	SeF₆	Selenium hexafluoride	sef6
1461	SF₅Cl	sulfur chloropentafluoride	sf5cl
1462	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1463	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1464	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1465	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1466	C₆H₅F	Fluorobenzene	bzf
1467	C₆H₅Cl	chlorobenzene	bzcl
1468	C₆H₅Br	bromobenzene	bzbr
1469	C₈H₆	Calicene	calicene
1470	C₆H₅CCH	phenylacetylene	phac
1471	C₈H₆	benzocyclobutadiene	bcbd
1472	C₈H₆	Pentalene	pentalene
1473	C₆H₅CHCH₂	Styrene	styrene
1474	C₈H₈	cubane	cubane
1475	C₈H₈	cyclooctatetraene	cot
1476	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1477	CH₃C₆H₄CH₃	meta-xylene	mxylene
1478	CH₃C₆H₄CH₃	paraxylene	pxylene
1479	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1480	C₈H₁₆	cyclooctane	cyclooct
1481	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1482	C₈H₁₈	Octane	c8h18
1483	C₆H₅CN	phenyl cyanide	phcn
1484	C₆H₁₂N₂	Triethylenediamine	ted
1485	C₄O₄^--	squarate dianion	c4o4--
1486	S₈	Octasulfur	s8
1487	C₆H₄O₂	parabenzoquinone	pbq
1488	C₄H₄N₂O₂	Uracil	uracil
1489	C₆H₅CHO	benzaldehyde	benzal
1490	C₆H₅OCH₃	Anisole	anisole
1491	C₅H₉NO₂	Proline	proline
1492	C₆H₁₂O₂	Methyl pivalate	c598981
1493	C₆H₁₂O₂	Hexanoic acid	hexa
1494	C₄F₄	tetrafluorcyclobutadiene	c4f4
1495	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1496	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1497	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1498	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1499	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1500	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1501	C₂F₆	hexafluoroethane	c2f6
1502	C₂Cl₆	hexachloroethane	c2cl6
1503	IF₇	Iodine heptafluoride	if7
1504	C₆H₄F₂	metadifluorobenzene	mdfb
1505	C₆H₄F₂	orthodifluorobenzene	odfb
1506	C₆H₄F₂	1,4-difluorobenzene	pdfb
1507	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1508	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1509	C₉H₈	Indene	indene
1510	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1511	C₉H₁₂	n-propyl benzene	prbz
1512	C₉H₂₀	Nonane	nonane
1513	C(CN)₄	tetracyanomethane	c5n4
1514	C₅H₄N₄	purine	purine
1515	C₈H₇N	Indole	indole
1516	C₃H₃N₃O₃	cyanuric acid	cyanuric
1517	C₆H₅NO₂	Nitrobenzene	c6h5no2
1518	C₆H₅COOH	benzoic acid	benzo
1519	CH₃COC₆H₅	acetophenone	acph
1520	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1521	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1522	C₁₀H₈	Azulene	azu
1523	C₁₀H₁₀	bullvalene	bullv
1524	C₁₀H₁₆	adamantane	adamantane
1525	C₆N₄	Tetracyanoethylene	tcne
1526	C₆N₄^-	tetracyanoethylene anion	tcne-
1527	C₁₀H₂₂	Decane	decane
1528	C₄F₆	perfluorobutadiene	c4f6
1529	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1530	C₃F₈	perfluoropropane	c3f8
1531	Fe(CO)₅	Iron pentacarbonyl	ipc
1532	Fe(C₅H₅)₂	ferrocene	fecp2
1533	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1534	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1535	C₁₂H₈	Acenaphthylene	acenaph
1536	C₁₂H₈	biphenylene	biph
1537	C₁₂H₁₀	biphenyl	biphenyl
1538	C₁₂H₁₀	Heptalene	heptalene
1539	C₆H₁₂O₆	Inositol	inositol
1540	C₆F₆	hexafluorobenzene	c6f6
1541	C₁₃H₁₀	Fluorene	fluorene
1542	C₁₄H₁₀	Anthracene	anth
1543	C₁₄H₁₀	Phenanthrene	phenanthrene
1544	C₁₄H₁₄	Bibenzyl	bibenzyl
1545	C₁₂H₁₀N₂	azobenzene	azobenzene
1546	C₆H₅COC₆H₅	benzophenone	benzophenone
1547	C₁₆H₁₀	Pyrene	pyrene
1548	C₁₈H₁₂	Tetracene	tetracene
1549	C₁₉H₁₆	Triphenylmethane	tpm
1550	C₂₄H₁₂	Coronene	coronene
1551	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