CCCBDB List of Species with completed calculations

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List of which calculations are completed at B3LYPultrafine /6-311+G(3df,2p)

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count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H⁺	Hydrogen atom cation		K_h
3	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
4	He	Helium atom	¹S	K_h
5	He	Helium atom
6	He⁺	Helium atom cation	²S	K_h
7	HeH⁺	Helium hydride cation	¹Σ	C_∞v
8	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
9	Li	Lithium atom	²S	K_h
10	Li⁺	Lithium atom cation	¹S	K_h
11	Na	Sodium atom	²S	K_h
12	Na⁺	Sodium atom cation	¹S	K_h
13	K	Potassium atom	²S	K_h
14	Cu	Copper atom	²S	K_h
15	LiH	Lithium Hydride	¹Σ	C_∞v
16	KH	Potassium hydride	¹Σ	C_∞v
17	Be	Beryllium atom	¹S	K_h
18	Be⁺	Beryllium atom cation	²S	K_h
19	Mg	Magnesium atom	¹S	K_h
20	Mg⁺	Magnesium atom cation	²S	K_h
21	Ca	Calcium atom	¹S	K_h
22	Zn	Zinc atom	¹S	K_h
23	MgH	magnesium monohydride	²Σ	C_∞v
24	ZnH⁺	Zinc, protonated
25	BeH₂⁺	Beryllium dihydride cation
26	CaH₂	Calcium Hydride	¹Σ_g	D_∞h
27	CaH₂	Calcium Hydride	¹A₁	C_2v
28	B	Boron atom	²P	K_h
29	B	Boron atom	⁴P	K_h
30	B⁺	Boron atom cation	¹S	K_h
31	Al	Aluminum atom	²P	K_h
32	Al^-	Aluminum atom anion	³P	K_h
33	Al⁺	Aluminum atom cation	¹S	K_h
34	Ga	Gallium atom	²P
35	Ga^-	Gallium atom anion	³P	O_h
36	Ga⁺	Gallium atom cation	¹S
37	GaH	Gallium monohydride	¹Σ	C_∞v
38	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
39	BH₃⁺	boron trihydride cation	²B₂	C_2v
40	BH₃⁺	boron trihydride cation		C_2v
41	AlH₃^-	aluminum trihydride anion		C_3v
42	BH₄^-	borohydride anion	¹A₁	T_d
43	C	Carbon atom	³P₀	K_h
44	C	Carbon atom	³P₁	K_h
45	C⁺	Carbon atom cation	²P	K_h
46	Si	Silicon atom	³P	K_h
47	Si	Silicon atom	¹S	K_h
48	Si^-	Silicon atom anion	⁴S	K_h
49	Si⁺	Silicon atom cation	²P	K_h
50	Ti	Titanium atom	³F	K_h
51	Ge	Germanium atom	³P	K_h
52	Ge^-	Germanium anion	⁴S	K_h
53	Ge⁺	Germanium cation	²P	K_h
54	CH	Methylidyne	²Π_1/2	C_∞v
55	SiH	Silylidyne	²Π	C_∞v
56	GeH	germylidene	²Π	C_∞v
57	CH₂^-	methylene anion	²B₁	C_2v
58	GeH₂	germylene	¹A₁	C_2v
59	CH₃	Methyl radical	²A₁	D_3h
60	SiH₃	Silyl radical	²A₁	C_3v
61	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
62	GeH₃	Germyl radical	²A₁	C_3v
63	GeH₃⁺	germyl cation	¹A₁^'	D_3h
64	CH₄	Methane	¹A₁	T_d
65	SiH₂D₂	silane-d2
66	SiH₄	Silane	¹A₁	T_d
67	GeH₄	Germane	¹A₁	T_d
68	SiH₅⁺	Silane, protonated
69	N	Nitrogen atom	⁴S	K_h
70	N⁺	Nitrogen atom cation	³P	K_h
71	P	Phosphorus atom	⁴S	K_h
72	V⁺	Vanadium atom cation	⁵D	K_h
73	As	Arsenic atomic	⁴S	K_h
74	As^-	Arsenic anion	³P	K_h
75	As⁺	Arsenic cation	³P	K_h
76	PH	phosphorus monohydride	³Σ^-	C_∞v
77	AsH	Arsenic monohydride	³Σ	C_∞v
78	NH₂	Amino radical	²B₁	C_2v
79	NH₂⁺	Amino cation	³B₁	C_2v
80	NH₂⁺	Amino cation	¹A₁	C_2v
81	NH₃	Ammonia	¹A₁	C_3v
82	PH₃	Phosphine	¹A₁	C_3v
83	PH₃⁺	Phosphine cation	²A₁	C_3v
84	AsH₃	Arsine	¹A₁	C_3v
85	AsH₃⁺	Arsine cation	²A₁	C_3v
86	AsH₄⁺	Arsonium
87	NH₄	Ammonium radical
88	PH₄	Phosphoranyl radical
89	O	Oxygen atom	³S	K_h
90	O⁺	Oxygen atom cation	⁴S	K_h
91	S	Sulfur atom	³P	K_h
92	S	Sulfur atom
93	Se	Selenium atom	³P	K_h
94	Se^-	Selenium atom anion	²P	K_h
95	Se⁺	Selenium atom cation	⁴S	K_h
96	OH	Hydroxyl radical	²Π	C_∞v
97	OH⁺	hydoxyl cation	³Σ	C_∞v
98	HS^-	mercapto anion	¹Σ	C_∞v
99	HS⁺	sulfur monohydride cation	³Σ	C_∞v
100	CrH	Chromium hydride	⁶Σ	C_∞v
101	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
102	HSe	Selenium monohydride	²Π	C_∞v
103	HSe^-	selenium monohydride anion	¹Σ	C_∞v
104	HSe⁺	selenium monohydride cation	³Σ	C_∞v
105	H₂O	Water	¹A₁	C_2v
106	H₂O^-	water anion	²A₁	C_2v
107	H₂O^-	water anion	²A^'	C_s
108	H₂O⁺	water cation	²B₁	C_2v
109	HDO	Water-d1	¹A₁	C_2v
110	H₂S	Hydrogen sulfide	¹A₁	C_2v
111	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
112	H₂Se	Hydrogen selenide	¹A₁	C_2v
113	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
114	H₃S⁺	Sulfonium cation	¹A₁	C_3v
115	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
116	F	Fluorine atom	²P	K_h
117	F^-	Fluorine atom anion	¹S	K_h
118	F⁺	Fluorine atom cation	³S	K_h
119	Cl	Chlorine atom	²P	K_h
120	Cl^-	Chlorine atom anion	¹S	K_h
121	Cl⁺	Chlorine atom cation	³P	K_h
122	Br	Bromine atom	²P	K_h
123	Br^-	Bromine atom anion	¹S	K_h
124	Br⁺	Bromine atom cation	³P	K_h
125	HF	Hydrogen fluoride	¹Σ	C_∞v
126	HF^-	hydrogen fluoride anion	²Σ	C_∞v
127	HF⁺	hydrogen fluoride cation	²Π	C_∞v
128	HCl	Hydrogen chloride	¹Σ	C_∞v
129	HCl^-	hydrogen chloride anion	²Σ	C_∞v
130	HCl⁺	hydrogen chloride cation	²Π	C_∞v
131	HBr	hydrogen bromide	¹Σ	C_∞v
132	HBr^-	hydrogen bromide anion	²Σ	C_∞v
133	HBr⁺	hydrogen bromide cation	²Π	C_∞v
134	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
135	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
136	Ne	Neon atom	¹S	K_h
137	Ne	Neon atom
138	Ne⁺	Neon atom cation	²P	K_h
139	Ar	Argon atom	¹S	K_h
140	Kr	Krypton atom	¹S	K_h
141	Kr⁺	Krypton cation	²P	K_h
142	HeLi⁺	Helium Lithium cation
143	ArH⁺	Argon hydride cation	¹Σ	C_∞v
144	KrH⁺	Protonated Krypton	¹Σ	C_∞v
145	NaLi	lithium sodium	¹Σ	C_∞v
146	Na₂	Sodium diatomic	¹Σ_g	D_∞h
147	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
148	LiAl	Lithium Aluminum
149	HBBH	Diborane(2)	³Σ_G	D_∞h
150	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
151	B₂H₆	Diborane	¹A_g	D_2h
152	B₂H₆⁺	Diborane cation
153	CaC	Calcium monocarbide
154	BSi	Boron silicide	⁴Σ	C_∞v
155	BSi	Boron silicide	²Σ	C_∞v
156	Si₂	Silicon diatomic	³Σ_g	D_∞h
157	GeC	Germanium monocarbide	¹Σ	C_∞v
158	SiGe	Silicon Germanium
159	C₂H^-	Ethynyl anion	¹Σ	C_∞v
160	C₂H₂	Acetylene	¹Σ_g	D_∞h
161	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
162	C₂H₂⁺	acetylene cation
163	H₂CC^-	vinylidene anion
164	HCCH^-	acetylene anion
165	HCCH^-	acetylene anion
166	Si₂H₂	disilyne
167	Si₂H₂	disilyne
168	Si₂H₂	disilyne
169	Si₂H₂	disilyne
170	CH₃Li	methyl lithium	¹A₁	C_3v
171	C₂H₃	vinyl	²A^'	C_s
172	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
173	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
174	C₂H₄	Ethylene	¹A_g	D_2h
175	C₂H₄⁺	Ethylene cation	²B₃	D₂
176	Si₂H₄	Disilene
177	Si₂H₄	Disilene
178	Si₂H₄	Disilene
179	C₂H₅	Ethyl radical	²A^'	C_s
180	C₂H₆	Ethane	¹A_1g	D_3d
181	Si₂H₆	disilane	¹E_u	D_3d
182	LiN	Lithium Nitride	³Σ	C_∞v
183	LiP	Lithium monophosphide
184	LiP	Lithium monophosphide
185	MgN	Magnesium Nitride
186	MgN	Magnesium Nitride
187	GaAs	Gallium arsenide	³Π
188	GaAs	Gallium arsenide	¹Σ
189	CN	Cyano radical	²Σ	C_∞v
190	SiP	Silicon monophosphide	²Π	C_∞v
191	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
192	N₂	Nitrogen diatomic
193	PN	Phosphorus mononitride	¹Σ	C_∞v
194	HCN	Hydrogen cyanide	¹Σ	C_∞v
195	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
196	HNC⁺	hydrogen isocyanide cation
197	HCP⁺	Phosphaethyne cation
198	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
199	LiNH₂	lithium amide
200	HBNH	Boranimine	¹Σ	C_∞v
201	H₂NN	Isodiazene
202	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
203	CH₂NH	Methanimine	¹A^'	C_s
204	CH₂NH⁺	Methanimine cation
205	CHNH₂	aminomethylene
206	CHNH₂⁺	Aminocarbene cation
207	BH₂NH₂	Boranamine
208	N₂H₄	Hydrazine	¹A	C₂
209	CH₃NH₂	methyl amine	¹A^'	C_s
210	SiH₃NH₂	Silane, amino
211	BH₃PH₃	borane phosphine
212	BH₃NH₃	borane ammonia	¹A₁	C_3v
213	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
214	N₂H₇⁺	ammonia ammonium dimer
215	LiSe	Lithium monoselenide
216	CaO	Calcium monoxide	¹Σ	C_∞v
217	CaS	Calcium sulfide	¹Σ	C_∞v
218	BO	boron monoxide	²Σ	C_∞v
219	GaO	Gallium monoxide	²Σ	C_∞v
220	GaS	Gallium monosulfide
221	CO	Carbon monoxide	¹Σ	C_∞v
222	CO^-	carbon monoxide anion	²Π	C_∞v
223	CO⁺	carbon monoxide cation	²Σ	C_∞v
224	SiO	Silicon monoxide	¹Σ	C_∞v
225	SiS	silicon monosulfide	¹Σ	C_∞v
226	CSe	Carbon monoselenide	¹Σ	C_∞v
227	GeO	Germanium monoxide	¹Σ	C_∞v
228	SiSe	Silicon Monoselenide
229	SiSe⁺	Silicon Monoselenide cation
230	GeSe	Germanium monoselenide
231	NO	Nitric oxide	²Π	C_∞v
232	NO^-	nitric oxide anion	³Σ	C_∞v
233	NO⁺	nitric oxide cation	¹Σ	C_∞v
234	PO	Phosphorus monoxide	²Π	C_∞v
235	PS	phosphorus sulfide	²Σ	C_∞v
236	NSe	Nitrogen monoselenide	²Π	C_∞v
237	AsS	Arsenic monosulfide	²Π	C_∞v
238	PSe	Phosphorus monoselenide	²Π	C_∞v
239	AsSe	Arsenic monoselenide	²Π	C_∞v
240	O₂	Oxygen diatomic	³Σ_g	D_∞h
241	O₂^--	dioxygen dianion
242	SO	Sulfur monoxide	³Σ	C_∞v
243	SO	Sulfur monoxide	¹Σ	C_∞v
244	SO⁺	sulfur monoxide cation	²Π	C_∞v
245	S₂	Sulfur diatomic	³Σ_g	D_∞h
246	SeO	Selenium monoxide	³Σ	C_∞v
247	Se₂	Selenium diatomic	³Σ_g	D_∞h
248	LiOH	lithium hydroxide	¹Σ	C_∞v
249	KOH	Potassium hydroxide	¹Σ	C_∞v
250	BeOH	beryllium monohydroxide	²A^'	C_s
251	HBO	Boron hydride oxide	¹Σ	C_∞v
252	HBS	hydrogen boron sulfide	¹Σ	C_∞v
253	COH	Hydroxymethylidyne
254	HCO	Formyl radical	²A^'	C_s
255	HCO^-	formyl anion	¹A^'	C_s
256	HCO⁺	Formyl cation	¹Σ	C_∞v
257	HNO	Nitrosyl hydride	¹A^'	C_s
258	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
259	HSO⁺	Sulfur Monoxide, S-protonated
260	SOH	Sulfur Hydroxide
261	SOH⁺	Sulfur Monoxide, protonated
262	H₂CO	Formaldehyde	¹A₁	C_2v
263	H₂CO^-	formaldehyde anion	²A^'	C_s
264	H₂CO^-	formaldehyde anion
265	H₂CO⁺	formaldehyde cation	²B₂	C_2v
266	H₂CS	Thioformaldehyde	¹A₁	C_2v
267	H₂CS^-	thioformaldehyde anion
268	H₂CS^-	thioformaldehyde anion
269	H₂CSe	Selenoformaldehyde
270	H₂O₂	Hydrogen peroxide	¹A	C₂
271	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
272	H₂OO	water oxide
273	HOSH	hydrogen thioperoxide
274	H₂Se₂	hydrogen diselenide
275	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
276	CH₃O^-	methoxy anion	¹A₁	C_3v
277	NH₂OH	hydroxylamine	¹A^'	C_s
278	NH₂OH⁺	Hydroxylamine cation
279	NH₂SH	Thiohydroxylamine
280	NH₂SH	Thiohydroxylamine
281	NH₃S	sulfidoazane
282	CH₃OH	Methyl alcohol	¹A^'	C_s
283	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
284	CH₃SH	Methanethiol	¹A^'	C_s
285	SiH₃OH	silanol
286	NH₂OH₂⁺	protonated hydroxylamine
287	NH₃OH⁺	N-protonated hydroxylamine
288	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
289	LiF	lithium fluoride	¹Σ	C_∞v
290	LiCl	lithium chloride	¹Σ	C_∞v
291	NaF⁺	sodium fluoride cation	²Σ	C_∞v
292	LiBr	Lithium Bromide	¹Σ	C_∞v
293	LiF⁺	lithium fluoride cation	²Π	C_∞v
294	CaBr	Calcium monobromide
295	BF	Boron monofluoride	¹Σ	C_∞v
296	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
297	GaF	Gallium monofluoride	¹Σ	C_∞v
298	AlBr	Aluminum monobromide
299	GaCl	Gallium monochloride	¹Σ_G	C_∞v
300	GaBr	Gallium monobromide
301	CF	Fluoromethylidyne	²Π	C_∞v
302	SiCl	Clorosilylidyne	²Π	C_∞v
303	CBr	Carbon monobromide	²Π	C_∞v
304	GeF	Germanium monofluoride	²Π	C_∞v
305	GeCl	Germanium monochloride	²Π	C_∞v
306	GeCl⁺	Germanium monochloride cation
307	SiBr	Silicon monobromide	²Π	C_∞v
308	SiBr⁺	Silicon monobromide cation
309	NCl	nitrogen monochloride	³Σ	C_∞v
310	PBr	Phosphorus monobromide
311	ClO	Monochlorine monoxide	²Π	C_∞v
312	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
313	SF	Monosulfur monofluoride	²Π	C_∞v
314	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
315	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
316	BrO	Bromine monoxide	²Π	C_∞v
317	BrO⁺	Bromine monoxide cation
318	SBr	Sulfur monobromide radical
319	SBr⁺	Sulfur monobromide cation
320	SeBr	Selenium monobromide
321	BrCl	Bromine monochloride	¹Σ	C_∞v
322	F₂	Fluorine diatomic	¹Σ_g	D_∞h
323	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
324	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
325	ClF⁺	clorine monofluoride cation	²Π	C_∞v
326	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
327	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
328	BrF	Bromine monofluoride	¹Σ	C_∞v
329	Br₂	Bromine diatomic	¹Σ_g	D_∞h
330	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
331	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
332	HCF	Fluoromethylene	¹A^'	C_s
333	HCF	Fluoromethylene	³A^"	C_s
334	HSiF	fluorosilylene
335	HSiCl	Chlorosilylene
336	HSiBr	monobromosilylene
337	HOF	Hypofluorous acid	¹A^'	C_s
338	HOCl	hypochlorous acid	¹A^'	C_s
339	HOCl⁺	hypochlorous acid cation
340	F₂H⁺	Fluorine, protonated	¹A^'	C_s
341	ClFH⁺	Chlorine fluoride, F-protonated
342	FClH⁺	Chlorine fluoride, Cl-protonated
343	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
344	CH₂Br	bromomethyl radical
345	CH₂F	fluoromethyl radical	²A	C_s
346	CH₂F⁺	fluoromethyl cation
347	CH₂Cl⁺	chloromethyl cation
348	CH₂Cl	chloromethyl radical	²A^'	C_s
349	CH₂Cl	chloromethyl radical	²B₁	C_2v
350	NH₂Cl	chloramine	¹A^'	C_s
351	CH₃F⁺	methyl fluoride cation
352	CH₃F	Methyl fluoride	¹A₁	C_3v
353	CH₃Cl	Methyl chloride	¹A₁	C_3v
354	CH₃Cl⁺	Methyl chloride cation
355	SiH₃F	monofluorosilane	¹A₁	C_3v
356	SiH₃Cl	chlorosilane	¹A₁	C₁
357	CH₃Br	methyl bromide	¹A₁	C_3v
358	GeH₃F	monofluorogermane
359	GeH₃Cl	monochlorogermane
360	NH₃Cl⁺	protonated monochloroammonia
361	CH₃ClH⁺	methyl chloride, protonated
362	NH₄Cl	Ammonium chloride
363	LiNe⁺	Lithium Neon cation
364	Ar₂	Argon diatomic	¹S_g	D_∞h
365	C₃	carbon trimer	¹Σ_g	D_∞h
366	C₃	carbon trimer	¹A₁	C_2v
367	SiC₂	Silicon dicarbide
368	C₃H₄	cyclopropene	¹A₁	C_2v
369	CH₂CCH₂	allene	¹A₁	D_2d
370	CH₃CCH	propyne	¹A^'	C_3v
371	C₃H₅	Allyl radical	²A₂	C_2v
372	C₃H₆	Cyclopropane	¹A₁^'	D_3h
373	CH₂CHCH₃	Propene	¹A^'	C_s
374	C₃H₇	n-Propyl radical	²A^"	C₁
375	CH₃CHCH₃	Isopropyl radical	²A	C₂
376	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
377	C₃H₈	Propane	¹A₁	C_2v
378	Si₃H₈	trisilane
379	LiCN	lithium cyanide	¹Σ	C*V LiCN
380	KCN	Potassium cyanide	¹Σ	C_∞v
381	KCN	Potassium cyanide	¹Σ	C_∞v
382	KCN	Potassium cyanide	¹A^'	C_s
383	ZnCN	Zinc monocyanide	²Σ	C_∞v
384	ZnNC	Zinc isocyanide	²Σ	C_∞v
385	AlCN	Aluminum monocyanide
386	AlNC	Aluminum isocyanide
387	CNN	Diazocarbene
388	N₃	azide radical	²Π_g	D_∞h
389	HN₃	hydrogen azide	¹A^'	C_s
390	HN₃⁺	Hydrazoic acid cation
391	HNCNH	diiminomethane	¹A	C₂
392	HNNNH⁺	1,2-Triazadienium
393	NH₂NN⁺	hydrazoic acid, protonated
394	CH₃CN	Acetonitrile	¹A₁	C_3v
395	CH₃CN^-	acetonitrile anion	²E	C_3v
396	CH₃CN^-	acetonitrile anion	²A^'	C_s
397	CHNCH₂	2H-Azirine
398	CHNHCH	1H-Azirine
399	H₂CCNH	Ethenimine
400	H₂CNCH	methyleneaminomethylene
401	HCCNH₂	Ethynamine
402	HCNCH₂⁺	2H-Azirine cation
403	NH₂CNH⁺	cyanamide, cn protonated
404	NH₃CN⁺	cyanamide, amine protonated
405	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
406	CH₃CH₂NH₂	Ethylamine
407	Li₂O	dilithium oxide	¹Σ_g	D_∞h
408	Na₂O	disodium monoxide	¹Σ_g	Linear
409	Na₂O	disodium monoxide	¹A₁	C_2v
410	Na₂S	Sodium sulfide
411	Na₂S	Sodium sulfide
412	LiO₂	Lithium dioxide
413	NaO₂	Sodium superoxide
414	NCO	isocyanato radical	²Π	C_∞v
415	N₂O	Nitrous oxide	¹Σ	C_∞v
416	CO₂	Carbon dioxide	¹Σ_g	D_∞h
417	OCS	Carbonyl sulfide	¹Σ	C_∞v
418	CS₂	Carbon disulfide	¹Σ_g	D_∞h
419	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
420	OCSe	Carbonyl selenide	¹Σ	C_∞v
421	SCSe	Carbon sulfide selenide
422	NO₂	Nitrogen dioxide	²A₁	C_2v
423	NSO	sulfinyl amidogen
424	SNO	Nitrogen oxide sulfide
425	SO₂	Sulfur dioxide	¹A₁	C_2v
426	SSO	Disulfur monoxide	¹A^'	C_s
427	S₃	Sulfur trimer	¹A₁	C_2v
428	S₃	Sulfur trimer
429	SeO₂	Selenium dioxide	¹A₁	C_2v
430	HCCO	ketenyl radical	²Π	C_∞v
431	HCCO	ketenyl radical	²A^"	C_s
432	HCNO	fulminic acid	¹Σ	C_∞v
433	HNCS	Isothiocyanic acid
434	HSCN	thiocyanic acid	¹A^'	C_s
435	HOCO	Hydrocarboxyl radical	¹A^'	cis
436	HOCO	Hydrocarboxyl radical	¹A^'	trans
437	O₃H⁺	protonated ozone	¹A^'	C_s
438	O₃H⁺	protonated ozone
439	C₂H₂O	Oxirene	¹A₁	C_2v
440	CH₂CO	Ketene	¹A₁	C_2v
441	CH₂CS	Thioketene
442	Be(OH)₂	Beryllium hydroxide
443	Be(OH)₂	Beryllium hydroxide
444	H₂COO	Dioxymethyl radical	²A^'	C_s
445	H₂COO⁺	dioxymethyl cation	²A^'	C_s
446	HCOOH	Formic acid	¹A^'	C_s
447	HCOOH	Formic acid
448	BH₃CO	Borane carbonyl	¹A₁	C_3v
449	CH₂COH⁺	ketene, protonated
450	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
451	CHSNH₂	thioformamide
452	NHCHSH	Methanimidothioic acid
453	C₂H₄O	Ethylene oxide	¹A₁	C_2v
454	C₂H₄O⁺	ethylene oxide cation
455	CH₃CHO	Acetaldehyde	¹A^'	C_s
456	CH₃CHO⁺	acetaldehyde cation
457	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
458	C₂H₄S	Thiirane	¹A₁	C_2v
459	CH₂CHSH	Ethenethiol
460	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
461	NH₂CHOH⁺	Formamide, O-protonated
462	CH₃SSH	Hydrogen methyl disulfide
463	HSCH₂SH	Methanedithiol
464	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
465	NH₂CH₂OH	aminomethanol
466	CH₃CH₂OH	Ethanol	¹A^'	C_s
467	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
468	CH₃CH₂SH	ethanethiol	¹A^'	C_s
469	CH₃CH₂SH	ethanethiol	¹A	C₁
470	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
471	CH₃SCH₃⁺	dimethyl sulfide cation
472	CNF	iso cyanogen fluoride	¹Σ	C_∞v
473	BrCN	Cyanogen bromide	¹Σ	C_∞v
474	FBO	Boron monofluoride monoxide
475	BeBr₂	Beryllium bromide
476	CaBr₂	Calcium dibromide
477	BF₂	Boron difluoride radical	²A₁	C_2v
478	FNO	Nitrosyl fluoride	¹A^'	C_s
479	ClNO	Nitrosyl chloride	¹A^'	C_s
480	FSN	Thiazyl fluoride	¹A^'	C_s
481	OPCl	Phosphorus oxychloride
482	CF₂	Difluoromethylene	¹A₁	D_∞h
483	CFCl	chlorofluoromethylene	¹A^'	C_s
484	SiF₂	Silicon difluoride	¹A₁	C_2v
485	GeCl₂	Germanium dichloride	¹A₁	C_2v
486	CBr₂	dibromomethylene	¹A₁	C_2v
487	CBr₂	dibromomethylene	³B₁	C_2v
488	FOO⁺	Fluorine dioxide cation
489	OClO	Chlorine dioxide	²B₁	D_∞h
490	OClO^-	Chlorine dioxide anion	¹A^'	C_s
491	BrOO	Bromine dioxide
492	OBrO	Bromine dioxide radical	²B₁	C_2v
493	PF₂	Phosphorus difluoride
494	PF₂⁺	Phosphorus difluoride cation
495	FClO	chlorosyl fluoride	¹A^'	C_s
496	ClOF	Chlorine hypofluorite	¹A^'	C_s
497	SF₂	sulfur difluoride	¹A₁	C_2v
498	SeF₂	Selenium difluoride
499	SeCl₂	Selenium Dichloride
500	SBr₂	Sulfur dibromide

count

Species

Name

State

Conformation

Hydrogen atom

¹S

K_h

H⁺

Hydrogen atom cation

K_h

H₂

Hydrogen diatomic

¹Σ_g

D_∞h

Helium atom

¹S

K_h

Helium atom

He⁺

Helium atom cation

²S

K_h

HeH⁺

Helium hydride cation

¹Σ

C_∞v

He₂⁺

helium diatomic cation

²Σ_u

D_∞h

Lithium atom

²S

K_h

Li⁺

Lithium atom cation

¹S

K_h

Sodium atom

²S

K_h

Na⁺

Sodium atom cation

¹S

K_h

Potassium atom

²S

K_h

Copper atom

²S

K_h

LiH

Lithium Hydride

¹Σ

C_∞v

Potassium hydride

¹Σ

C_∞v

Beryllium atom

¹S

K_h

Be⁺

Beryllium atom cation

²S

K_h

Magnesium atom

¹S

K_h

Mg⁺

Magnesium atom cation

²S

K_h

Calcium atom

¹S

K_h

Zinc atom

¹S

K_h

MgH

magnesium monohydride

²Σ

C_∞v

ZnH⁺

Zinc, protonated

BeH₂⁺

Beryllium dihydride cation

CaH₂

Calcium Hydride

¹Σ_g

D_∞h

CaH₂

Calcium Hydride

¹A₁

C_2v

Boron atom

²P

K_h

Boron atom

⁴P

K_h

B⁺

Boron atom cation

¹S

K_h

Aluminum atom

²P

K_h

Al^-

Aluminum atom anion

³P

K_h

Al⁺

Aluminum atom cation

¹S

K_h

Gallium atom

²P

Ga^-

Gallium atom anion

³P

O_h

Ga⁺

Gallium atom cation

¹S

GaH

Gallium monohydride

¹Σ

C_∞v

GaH⁺

Gallium monohydride cation

²Σ

C_∞v

BH₃⁺

boron trihydride cation

²B₂

C_2v

BH₃⁺

boron trihydride cation

C_2v

AlH₃^-

aluminum trihydride anion

C_3v

BH₄^-

borohydride anion

¹A₁

T_d

Carbon atom

³P₀

K_h

Carbon atom

³P₁

K_h

C⁺

Carbon atom cation

²P

K_h

Silicon atom

³P

K_h

Silicon atom

¹S

K_h

Si^-

Silicon atom anion

⁴S

K_h

Si⁺

Silicon atom cation

²P

K_h

Titanium atom

³F

K_h

Germanium atom

³P

K_h

Ge^-

Germanium anion

⁴S

K_h

Ge⁺

Germanium cation

²P

K_h

Methylidyne

²Π_1/2

C_∞v

SiH

Silylidyne

²Π

C_∞v

GeH

germylidene

²Π

C_∞v

CH₂^-

methylene anion

²B₁

C_2v

GeH₂

germylene

¹A₁

C_2v

CH₃

Methyl radical

²A₁

D_3h

SiH₃

Silyl radical

²A₁

C_3v

SiH₃⁺

Silyl cation

¹A₁^'

D_3h

GeH₃

Germyl radical

²A₁

C_3v

GeH₃⁺

germyl cation

¹A₁^'

D_3h

CH₄

Methane

¹A₁

T_d

SiH₂D₂

silane-d2

SiH₄

Silane

¹A₁

T_d

GeH₄

Germane

¹A₁

T_d

SiH₅⁺

Silane, protonated

Nitrogen atom

⁴S

K_h

N⁺

Nitrogen atom cation

³P

K_h

Phosphorus atom

⁴S

K_h

V⁺

Vanadium atom cation

⁵D

K_h

Arsenic atomic

⁴S

K_h

As^-

Arsenic anion

³P

K_h

As⁺

Arsenic cation

³P

K_h

phosphorus monohydride

³Σ^-

C_∞v

AsH

Arsenic monohydride

³Σ

C_∞v

NH₂

Amino radical

²B₁

C_2v

NH₂⁺

Amino cation

³B₁

C_2v

NH₂⁺

Amino cation

¹A₁

C_2v

NH₃

Ammonia

¹A₁

C_3v

PH₃

Phosphine

¹A₁

C_3v

PH₃⁺

Phosphine cation

²A₁

C_3v

AsH₃

Arsine

¹A₁

C_3v

AsH₃⁺

Arsine cation

²A₁

C_3v

AsH₄⁺

Arsonium

NH₄

Ammonium radical

PH₄

Phosphoranyl radical

Oxygen atom

³S

K_h

O⁺

Oxygen atom cation

⁴S

K_h

Sulfur atom

³P

K_h

Sulfur atom

Selenium atom

³P

K_h

Se^-

Selenium atom anion

²P

K_h

Se⁺

Selenium atom cation

⁴S

K_h

Hydroxyl radical

²Π

C_∞v

OH⁺

hydoxyl cation

³Σ

C_∞v

HS^-

mercapto anion

¹Σ

C_∞v

HS⁺

sulfur monohydride cation

³Σ

C_∞v

100

CrH

Chromium hydride

⁶Σ

C_∞v

101

CrH⁺

Chromium hydride cation

⁵Σ

C_∞v

102

HSe

Selenium monohydride

²Π

C_∞v

103

HSe^-

selenium monohydride anion

¹Σ

C_∞v

104

HSe⁺

selenium monohydride cation

³Σ

C_∞v

105

H₂O

Water

¹A₁

C_2v

106

H₂O^-

water anion

²A₁

C_2v

107

H₂O^-

water anion

²A^'

C_s

108

H₂O⁺

water cation

²B₁

C_2v

109

HDO

Water-d1

¹A₁

C_2v

110

H₂S

Hydrogen sulfide

¹A₁

C_2v

111

H₂S⁺

Hydrogen sulfide cation

²B₁

C_2v

112

H₂Se

Hydrogen selenide

¹A₁

C_2v

113

H₂Se⁺

Hydrogen selenide cation

²B₁

C_2v

114

H₃S⁺

Sulfonium cation

¹A₁

C_3v

115

H₃Se⁺

Hydrogen Selenide, protonated

¹A₁

C_3v

116

Fluorine atom

²P

K_h

117

F^-

Fluorine atom anion

¹S

K_h

118

F⁺

Fluorine atom cation

³S

K_h

119

Chlorine atom

²P

K_h

120

Cl^-

Chlorine atom anion

¹S

K_h

121

Cl⁺

Chlorine atom cation

³P

K_h

122

Bromine atom

²P

K_h

123

Br^-

Bromine atom anion

¹S

K_h

124

Br⁺

Bromine atom cation

³P

K_h

125

Hydrogen fluoride

¹Σ

C_∞v

126

HF^-

hydrogen fluoride anion

²Σ

C_∞v

127

HF⁺

hydrogen fluoride cation

²Π

C_∞v

128

HCl

Hydrogen chloride

¹Σ

C_∞v

129

HCl^-

hydrogen chloride anion

²Σ

C_∞v

130

HCl⁺

hydrogen chloride cation

²Π

C_∞v

131

HBr

hydrogen bromide

¹Σ

C_∞v

132

HBr^-

hydrogen bromide anion

²Σ

C_∞v

133

HBr⁺

hydrogen bromide cation

²Π

C_∞v

134

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

135

H₂Br⁺

protonated hydrogen bromide

²A₁

C_2v

136

Neon atom

¹S

K_h

137

Neon atom

138

Ne⁺

Neon atom cation

²P

K_h

139

Argon atom

¹S

K_h

140

Krypton atom

¹S

K_h

141

Kr⁺

Krypton cation

²P

K_h

142

HeLi⁺

Helium Lithium cation

143

ArH⁺

Argon hydride cation

¹Σ

C_∞v

144

KrH⁺

Protonated Krypton

¹Σ

C_∞v

145

NaLi

lithium sodium

¹Σ

C_∞v

146

Na₂

Sodium diatomic

¹Σ_g

D_∞h

147

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

148

LiAl

Lithium Aluminum

149

HBBH

Diborane(2)

³Σ_G

D_∞h

150

B₂H₄

Diborane(4) D2d

¹A₁

D_2d

151

B₂H₆

Diborane

¹A_g

D_2h

152

B₂H₆⁺

Diborane cation

153

CaC

Calcium monocarbide

154

BSi

Boron silicide

⁴Σ

C_∞v

155

BSi

Boron silicide

²Σ

C_∞v

156

Si₂

Silicon diatomic

³Σ_g

D_∞h

157

GeC

Germanium monocarbide

¹Σ

C_∞v

158

SiGe

Silicon Germanium

159

C₂H^-

Ethynyl anion

¹Σ

C_∞v

160

C₂H₂

Acetylene

¹Σ_g

D_∞h

161

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

162

C₂H₂⁺

acetylene cation

163

H₂CC^-

vinylidene anion

164

HCCH^-

acetylene anion

165

HCCH^-

acetylene anion

166

Si₂H₂

disilyne

167

Si₂H₂

disilyne

168

Si₂H₂

disilyne

169

Si₂H₂

disilyne

170

CH₃Li

methyl lithium

¹A₁

C_3v

171

C₂H₃

vinyl

²A^'

C_s

172

C₂H₃⁺

vinyl cation

¹A₁

C2V bridging H

173

C₂H₃⁺

vinyl cation

¹A₁

C2V HCCH2

174

C₂H₄

Ethylene

¹A_g

D_2h

175

C₂H₄⁺

Ethylene cation

²B₃

D₂

176

Si₂H₄

Disilene

177

Si₂H₄

Disilene

178

Si₂H₄

Disilene

179

C₂H₅

Ethyl radical

²A^'

C_s

180

C₂H₆

Ethane

¹A_1g

D_3d

181

Si₂H₆

disilane

¹E_u

D_3d

182

LiN

Lithium Nitride

³Σ

C_∞v

183

LiP

Lithium monophosphide

184

LiP

Lithium monophosphide

185

MgN

Magnesium Nitride

186

MgN

Magnesium Nitride

187

GaAs

Gallium arsenide

³Π

188

GaAs

Gallium arsenide

¹Σ

189

Cyano radical

²Σ

C_∞v

190

SiP

Silicon monophosphide

²Π

C_∞v

191

N₂

Nitrogen diatomic

¹Σ_g

D_∞h

192

N₂

Nitrogen diatomic

193

Phosphorus mononitride

¹Σ

C_∞v

194

HCN

Hydrogen cyanide

¹Σ

C_∞v

195

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

196

HNC⁺

hydrogen isocyanide cation

197

HCP⁺

Phosphaethyne cation

198

NNH⁺

Dinitrogen monohydride cation

¹Σ

C_∞v

199

LiNH₂

lithium amide

200

HBNH

Boranimine

¹Σ

C_∞v

201

H₂NN

Isodiazene

202

N₂H₂⁺

trans-diazene cation

²A_G

C_2h

203

CH₂NH

Methanimine

¹A^'

C_s

204

CH₂NH⁺

Methanimine cation

205

CHNH₂

aminomethylene

206

CHNH₂⁺

Aminocarbene cation

207

BH₂NH₂

Boranamine

208

N₂H₄

Hydrazine

¹A

C₂

209

CH₃NH₂

methyl amine

¹A^'

C_s

210

SiH₃NH₂

Silane, amino

211

BH₃PH₃

borane phosphine

212

BH₃NH₃

borane ammonia

¹A₁

C_3v

213

CH₃NH₃

methyl ammonium radical

²A₁

C_3v

214

N₂H₇⁺

ammonia ammonium dimer

215

LiSe

Lithium monoselenide

216

CaO

Calcium monoxide

¹Σ

C_∞v

217

CaS

Calcium sulfide

¹Σ

C_∞v

218

boron monoxide

²Σ

C_∞v

219

GaO

Gallium monoxide

²Σ

C_∞v

220

GaS

Gallium monosulfide

221

Carbon monoxide

¹Σ

C_∞v

222

CO^-

carbon monoxide anion

²Π

C_∞v

223

CO⁺

carbon monoxide cation

²Σ

C_∞v

224

SiO

Silicon monoxide

¹Σ

C_∞v

225

SiS

silicon monosulfide

¹Σ

C_∞v

226

CSe

Carbon monoselenide

¹Σ

C_∞v

227

GeO

Germanium monoxide

¹Σ

C_∞v

228

SiSe

Silicon Monoselenide

229

SiSe⁺

Silicon Monoselenide cation

230

GeSe

Germanium monoselenide

231

Nitric oxide

²Π

C_∞v

232

NO^-

nitric oxide anion

³Σ

C_∞v

233

NO⁺

nitric oxide cation

¹Σ

C_∞v

234

Phosphorus monoxide

²Π

C_∞v

235

phosphorus sulfide

²Σ

C_∞v

236

NSe

Nitrogen monoselenide

²Π

C_∞v

237

AsS

Arsenic monosulfide

²Π

C_∞v

238

PSe

Phosphorus monoselenide

²Π

C_∞v

239

AsSe

Arsenic monoselenide

²Π

C_∞v

240

O₂

Oxygen diatomic

³Σ_g

D_∞h

241

O₂^--

dioxygen dianion

242

Sulfur monoxide

³Σ

C_∞v

243

Sulfur monoxide

¹Σ

C_∞v

244

SO⁺

sulfur monoxide cation

²Π

C_∞v

245

S₂

Sulfur diatomic

³Σ_g

D_∞h

246

SeO

Selenium monoxide

³Σ

C_∞v

247

Se₂

Selenium diatomic

³Σ_g

D_∞h

248

LiOH

lithium hydroxide

¹Σ

C_∞v

249

KOH

Potassium hydroxide

¹Σ

C_∞v

250

BeOH

beryllium monohydroxide

²A^'

C_s

251

HBO

Boron hydride oxide

¹Σ

C_∞v

252

HBS

hydrogen boron sulfide

¹Σ

C_∞v

253

COH

Hydroxymethylidyne

254

HCO

Formyl radical

²A^'

C_s

255

HCO^-

formyl anion

¹A^'

C_s

256

HCO⁺

Formyl cation

¹Σ

C_∞v

257

HNO

Nitrosyl hydride

¹A^'

C_s

258

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

259

HSO⁺

Sulfur Monoxide, S-protonated

260

SOH

Sulfur Hydroxide

261

SOH⁺

Sulfur Monoxide, protonated

262

H₂CO

Formaldehyde

¹A₁

C_2v

263

H₂CO^-

formaldehyde anion

²A^'

C_s

264

H₂CO^-

formaldehyde anion

265

H₂CO⁺

formaldehyde cation

²B₂

C_2v

266

H₂CS

Thioformaldehyde

¹A₁

C_2v

267

H₂CS^-

thioformaldehyde anion

268

H₂CS^-

thioformaldehyde anion

269

H₂CSe

Selenoformaldehyde

270

H₂O₂

Hydrogen peroxide

¹A

C₂

271

H₂O₂

Hydrogen peroxide

¹A_g

C_2h

272

H₂OO

water oxide

273

HOSH

hydrogen thioperoxide

274

H₂Se₂

hydrogen diselenide

275

CH₂OH⁺

hydroxymethyl cation

¹A^'

C_s

276

CH₃O^-

methoxy anion

¹A₁

C_3v

277

NH₂OH

hydroxylamine

¹A^'

C_s

278

NH₂OH⁺

Hydroxylamine cation

279

NH₂SH

Thiohydroxylamine

280

NH₂SH

Thiohydroxylamine

281

NH₃S

sulfidoazane

282

CH₃OH

Methyl alcohol

¹A^'

C_s

283

CH₃OH⁺

Methyl alcohol cation

²A^"

C_s

284

CH₃SH

Methanethiol

¹A^'

C_s

285

SiH₃OH

silanol

286

NH₂OH₂⁺

protonated hydroxylamine

287

NH₃OH⁺

N-protonated hydroxylamine

288

H₅O₂⁺

Dihydroxonium ion

¹A

C₂

289

LiF

lithium fluoride

¹Σ

C_∞v

290

LiCl

lithium chloride

¹Σ

C_∞v

291

NaF⁺

sodium fluoride cation

²Σ

C_∞v

292

LiBr

Lithium Bromide

¹Σ

C_∞v

293

LiF⁺

lithium fluoride cation

²Π

C_∞v

294

CaBr

Calcium monobromide

295

Boron monofluoride

¹Σ

C_∞v

296

AlF

Aluminum monofluoride

¹Σ⁺

C_∞v

297

GaF

Gallium monofluoride

¹Σ

C_∞v

298

AlBr

Aluminum monobromide

299

GaCl

Gallium monochloride

¹Σ_G

C_∞v

300

GaBr

Gallium monobromide

301

Fluoromethylidyne

²Π

C_∞v

302

SiCl

Clorosilylidyne

²Π

C_∞v

303

CBr

Carbon monobromide

²Π

C_∞v

304

GeF

Germanium monofluoride

²Π

C_∞v

305

GeCl

Germanium monochloride

²Π

C_∞v

306

GeCl⁺

Germanium monochloride cation

307

SiBr

Silicon monobromide

²Π

C_∞v

308

SiBr⁺

Silicon monobromide cation

309

NCl

nitrogen monochloride

³Σ

C_∞v

310

PBr

Phosphorus monobromide

311

ClO

Monochlorine monoxide

²Π

C_∞v

312

ClO⁺

chlorine monoxide cation

³Σ

C_∞v

313

Monosulfur monofluoride

²Π

C_∞v

314

SF⁺

sulfur monofluoride cation

³Σ

C_∞v

315

SCl⁺

sulfur monochloride cation

³Σ_g

C_∞v

316

BrO

Bromine monoxide

²Π

C_∞v

317

BrO⁺

Bromine monoxide cation

318

SBr

Sulfur monobromide radical

319

SBr⁺

Sulfur monobromide cation

320

SeBr

Selenium monobromide

321

BrCl

Bromine monochloride

¹Σ

C_∞v

322

F₂

Fluorine diatomic

¹Σ_g

D_∞h

323

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

324

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

325

ClF⁺

clorine monofluoride cation

²Π

C_∞v

326

Cl₂

Chlorine diatomic

¹Σ_g

D_∞h

327

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

328

BrF

Bromine monofluoride

¹Σ

C_∞v

329

Br₂

Bromine diatomic

¹Σ_g

D_∞h

330

Br₂^-

bromine diatomic anion

²Σ_u

D_∞h

331

Br₂⁺

bromine diatomic cation

²Π_g

D_∞h

332

HCF

Fluoromethylene

¹A^'

C_s

333

HCF

Fluoromethylene

³A^"

C_s

334

HSiF

fluorosilylene

335

HSiCl

Chlorosilylene

336

HSiBr

monobromosilylene

337

HOF

Hypofluorous acid

¹A^'

C_s

338

HOCl

hypochlorous acid

¹A^'

C_s

339

HOCl⁺

hypochlorous acid cation

340

F₂H⁺

Fluorine, protonated

¹A^'

C_s

341

ClFH⁺

Chlorine fluoride, F-protonated

342

FClH⁺

Chlorine fluoride, Cl-protonated

343

Cl₂H⁺

Chlorine, protonated

¹A^'

C_s

344

CH₂Br

bromomethyl radical

345

CH₂F

fluoromethyl radical

²A

C_s

346

CH₂F⁺

fluoromethyl cation

347

CH₂Cl⁺

chloromethyl cation

348

CH₂Cl

chloromethyl radical

²A^'

C_s

349

CH₂Cl

chloromethyl radical

²B₁

C_2v

350

NH₂Cl

chloramine

¹A^'

C_s

351

CH₃F⁺

methyl fluoride cation

352

CH₃F

Methyl fluoride

¹A₁

C_3v

353

CH₃Cl

Methyl chloride

¹A₁

C_3v

354

CH₃Cl⁺

Methyl chloride cation

355

SiH₃F

monofluorosilane

¹A₁

C_3v

356

SiH₃Cl

chlorosilane

¹A₁

C₁

357

CH₃Br

methyl bromide

¹A₁

C_3v

358

GeH₃F

monofluorogermane

359

GeH₃Cl

monochlorogermane

360

NH₃Cl⁺

protonated monochloroammonia

361

CH₃ClH⁺

methyl chloride, protonated

362

NH₄Cl

Ammonium chloride

363

LiNe⁺

Lithium Neon cation

364

Ar₂

Argon diatomic

¹S_g

D_∞h

365

C₃

carbon trimer

¹Σ_g

D_∞h

366

C₃

carbon trimer

¹A₁

C_2v

367

SiC₂

Silicon dicarbide

368

C₃H₄

cyclopropene

¹A₁

C_2v

369

CH₂CCH₂

allene

¹A₁

D_2d

370

CH₃CCH

propyne

¹A^'

C_3v

371

C₃H₅

Allyl radical

²A₂

C_2v

372

C₃H₆

Cyclopropane

¹A₁^'

D_3h

373

CH₂CHCH₃

Propene

¹A^'

C_s

374

C₃H₇

n-Propyl radical

²A^"

C₁

375

CH₃CHCH₃

Isopropyl radical

²A

C₂

376

CH₃CHCH₃⁺

Isopropyl cation

¹A

C₂

377

C₃H₈

Propane

¹A₁

C_2v

378

Si₃H₈

trisilane

379

LiCN

lithium cyanide

¹Σ

C*V LiCN

380

KCN

Potassium cyanide

¹Σ

C_∞v

381

KCN

Potassium cyanide

¹Σ

C_∞v

382

KCN

Potassium cyanide

¹A^'

C_s

383

ZnCN

Zinc monocyanide

²Σ

C_∞v

384

ZnNC

Zinc isocyanide

²Σ

C_∞v

385

AlCN

Aluminum monocyanide

386

AlNC

Aluminum isocyanide

387

CNN

Diazocarbene

388

N₃

azide radical

²Π_g

D_∞h

389

HN₃

hydrogen azide

¹A^'

C_s

390

HN₃⁺

Hydrazoic acid cation

391

HNCNH

diiminomethane

¹A

C₂

392

HNNNH⁺

1,2-Triazadienium

393

NH₂NN⁺

hydrazoic acid, protonated

394

CH₃CN

Acetonitrile

¹A₁

C_3v

395

CH₃CN^-

acetonitrile anion

²E

C_3v

396

CH₃CN^-

acetonitrile anion

²A^'

C_s

397

CHNCH₂

2H-Azirine

398

CHNHCH

1H-Azirine

399

H₂CCNH

Ethenimine

400

H₂CNCH

methyleneaminomethylene

401

HCCNH₂

Ethynamine

402

HCNCH₂⁺

2H-Azirine cation

403

NH₂CNH⁺

cyanamide, cn protonated

404

NH₃CN⁺

cyanamide, amine protonated

405

C₂H₆N⁺

aziridine, protonated

¹A₁

C_2v

406

CH₃CH₂NH₂

Ethylamine

407

Li₂O

dilithium oxide

¹Σ_g

D_∞h

408

Na₂O

disodium monoxide

¹Σ_g

Linear

409

Na₂O

disodium monoxide

¹A₁

C_2v

410

Na₂S

Sodium sulfide

411

Na₂S

Sodium sulfide

412

LiO₂

Lithium dioxide

413

NaO₂

Sodium superoxide

414

NCO

isocyanato radical

²Π

C_∞v

415

N₂O

Nitrous oxide

¹Σ

C_∞v

416

CO₂

Carbon dioxide

¹Σ_g

D_∞h

417

OCS

Carbonyl sulfide

¹Σ

C_∞v

418

CS₂

Carbon disulfide

¹Σ_g

D_∞h

419

GeO₂

Germanium dioxide

¹Σ_g

D_∞h

420

OCSe

Carbonyl selenide

¹Σ

C_∞v

421

SCSe

Carbon sulfide selenide

422

NO₂

Nitrogen dioxide

²A₁

C_2v

423

NSO

sulfinyl amidogen

424

SNO

Nitrogen oxide sulfide

425

SO₂

Sulfur dioxide

¹A₁

C_2v

426

SSO

Disulfur monoxide

¹A^'

C_s

427

S₃

Sulfur trimer

¹A₁

C_2v

428

S₃

Sulfur trimer

429

SeO₂

Selenium dioxide

¹A₁

C_2v

430

HCCO

ketenyl radical

²Π

C_∞v

431

HCCO

ketenyl radical

²A^"

C_s

432

HCNO

fulminic acid

¹Σ

C_∞v

433

HNCS

Isothiocyanic acid

434

HSCN

thiocyanic acid

¹A^'

C_s

435

HOCO

Hydrocarboxyl radical

¹A^'

cis

436

HOCO

Hydrocarboxyl radical

¹A^'

trans

437

O₃H⁺

protonated ozone

¹A^'

C_s

438

O₃H⁺

protonated ozone

439

C₂H₂O

Oxirene

¹A₁

C_2v

440

CH₂CO

Ketene

¹A₁

C_2v

441

CH₂CS

Thioketene

442

Be(OH)₂

Beryllium hydroxide

443

Be(OH)₂

Beryllium hydroxide

444

H₂COO

Dioxymethyl radical

²A^'

C_s

445

H₂COO⁺

dioxymethyl cation

²A^'

C_s

446

HCOOH

Formic acid

¹A^'

C_s

447

HCOOH

Formic acid

448

BH₃CO

Borane carbonyl

¹A₁

C_3v

449

CH₂COH⁺

ketene, protonated

450

HOCHNH

hydroxymethylimine

¹A^'

CS H all up

451

CHSNH₂

thioformamide

452

NHCHSH

Methanimidothioic acid

453

C₂H₄O

Ethylene oxide

¹A₁

C_2v

454

C₂H₄O⁺

ethylene oxide cation

455

CH₃CHO

Acetaldehyde

¹A^'

C_s

456

CH₃CHO⁺

acetaldehyde cation

457

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

458

C₂H₄S

Thiirane

¹A₁

C_2v

459

CH₂CHSH

Ethenethiol

460

CH₃CHS

Thioacetaldehyde

¹A^'

C₁

461

NH₂CHOH⁺

Formamide, O-protonated

462

CH₃SSH

Hydrogen methyl disulfide

463

HSCH₂SH

Methanedithiol

464

C₂H₄OH⁺

ethylene oxide, protonated

¹A^'

C_s

465

NH₂CH₂OH

aminomethanol

466

CH₃CH₂OH

Ethanol

¹A^'

C_s

467

CH₃OCH₃

Dimethyl ether

¹A₁

C_2v

468

CH₃CH₂SH

ethanethiol

¹A^'

C_s

469

CH₃CH₂SH

ethanethiol

¹A

C₁

470

CH₃SCH₃

Dimethyl sulfide

¹A₁

C_2v

471

CH₃SCH₃⁺

dimethyl sulfide cation

472

CNF

iso cyanogen fluoride

¹Σ

C_∞v

473

BrCN

Cyanogen bromide

¹Σ

C_∞v

474

FBO

Boron monofluoride monoxide

475

BeBr₂

Beryllium bromide

476

CaBr₂

Calcium dibromide

477

BF₂

Boron difluoride radical

²A₁

C_2v

478

FNO

Nitrosyl fluoride

¹A^'

C_s

479

ClNO

Nitrosyl chloride

¹A^'

C_s

480

FSN

Thiazyl fluoride

¹A^'

C_s

481

OPCl

Phosphorus oxychloride

482

CF₂

Difluoromethylene

¹A₁

D_∞h

483

CFCl

chlorofluoromethylene

¹A^'

C_s

484

SiF₂

Silicon difluoride

¹A₁

C_2v

485

GeCl₂

Germanium dichloride

¹A₁

C_2v

486

CBr₂

dibromomethylene

¹A₁

C_2v

487

CBr₂

dibromomethylene

³B₁

C_2v

488

FOO⁺

Fluorine dioxide cation

489

OClO

Chlorine dioxide

²B₁

D_∞h

490

OClO^-

Chlorine dioxide anion

¹A^'

C_s

491

BrOO

Bromine dioxide

492

OBrO

Bromine dioxide radical

²B₁

C_2v

493

PF₂

Phosphorus difluoride

494

PF₂⁺

Phosphorus difluoride cation

495

FClO

chlorosyl fluoride

¹A^'

C_s

496

ClOF

Chlorine hypofluorite

¹A^'

C_s

497

SF₂

sulfur difluoride

¹A₁

C_2v

498

SeF₂

Selenium difluoride

499

SeCl₂

Selenium Dichloride

500

SBr₂

Sulfur dibromide

501

SeBr₂

Selenium dibromide

502

Br₃^-

tribromide anion

503

SFCl

Sulfur chloride fluoride

504

HCCF

Fluoroacetylene

¹Σ

C_∞v

505

HCCBr

bromoacetylene

¹Σ

C_∞v

506

CHF₂

difluoromethyl radical

²A

C_s

507

CHF₂⁺

difluoromethyl cation

508

CHFCl

Chlorofluoromethyl radical

509

CHFCl⁺

Chlorofluoromethyl cation

510

CHCl₂⁺

dichloromethyl cation

511

CHBr₂

dibromomethyl radical

512

NHF₂

difluoramine

513

NHCl₂

dichloroamine

514

CH₂F₂

Methane, difluoro-

¹A₁

C_2v

515

SiH₂F₂

difluorosilane

516

CH₂Cl₂

Methylene chloride

¹A₁

C_2v

517

CH₂BrCl

Methane, bromochloro-

¹A^'

C_s

518

CH₂Br₂

dibromomethane

¹A₁

C_2v

519

CH₃MgBr

Methyl Magnesium Bromide

520

CH₂CHF

Ethene, fluoro-

¹A^'

C_s

521

CH₂FOH

fluoromethanol

522

CH₂CH₂Cl

2-chloroethyl radical

²A^'

C_s

523

CHClCH₃

1-chloroethyl radical

²A

C₁

524

C₂H₅Br

Ethyl bromide

¹A^'

C_s

525

C₄

Carbon tetramer

³Σ_g

D_∞h

526

C₄

Carbon tetramer

527

C₄H₂⁺

diacetlyene cation

²Π_g

D_∞h

528

C₄H₄

Tetrahedrane

529

C₄H₆

1-Methylcyclopropene

¹A

C₁

530

CH₂CHCH₂CH₃

1-Butene

¹A

C₁

531

CH₃CH₂CH₂CH₃

Butane

¹A_g

Anti

532

As₄

Arsenic tetramer

¹A₁

T_d

533

HCCCN⁺

Cyanoacetylene cation

²Π

C_∞v

534

H₂CNCN

cyanamide, methylene

535

HNCCNH

Ethenediimine

536

C₂H₅CN

ethyl cyanide

¹A^'

C_s

537

H₂NCHCHNH₂

diaminoethylene

538

CH₇N₃

triaminomethane

539

NH₂CH₂CH₂CH₃

1-Propanamine

¹A^'

C_s

540

N(SiH₃)₃

trisilylamine

541

K₂O₂

dipotassium dioxide

542

ONNO

NO dimer

¹A_g

trans C2H

543

ONNO

NO dimer

¹A₁

cis C2V

544

S₂N₂

Disulfur dinitride

¹A_G

D_2h

545

CS₃^--

Carbonotrithioate

546

SO₃

Sulfur trioxide

¹A₁^'

D_3h

547

SO₃^--

Sulfate dianion

548

S₄

Sulfur tetramer

549

S₄

Sulfur tetramer

550

S₄

Sulfur tetramer

551

HNO₃

Nitric acid

¹A^'

C_s

552

C₃H₂O

Propadienal

553

C₃H₂O

Propadienal

554

C₂H₂O₂

Ethanedial

¹A_g

C_2h

555

C₂H₃NO

Nitrosoethylene

556

CH₃NCO

methylisocyante

557

HOCH₂CN

cyanomethanol

558

CH₃NO₂

Methane, nitro-

¹A^'

C_s

559

H₃AlO₃

Aluminum hydroxide

560

CH₂CHCHO

Acrolein

¹A^'

C_s

561

CH₂CHCHO

Acrolein

562

CH₂C(OH)NH₂

1-amino vinyl alchohol

563

CH₃C(OH)=NH

Ethaninidic acid

564

CH₃CSNH₂

Ethanethioamide

565

C₃H₆O

Acetone enol

¹A^'

C_s

566

CH₃CH₂CHO

Propanal

¹A^'

C_s

567

CH₃COCH₃

Acetone

¹A₁

C_2v

568

CH₃SOCH₃

Dimethyl sulfoxide

¹A^'

C_s

569

C₃H₇OH

1-Propanol

570

Li₂F₂

Lithium fluoride dimer

571

CF₂O

Carbonic difluoride

¹A₁

C_2v

572

CF₂O⁺

Carbonic difluoride cation

573

BF₃

Borane, trifluoro-

¹A^'

D_3h

574

BF₃⁺

boron trifluoride cation

575

AlF₃

Aluminum trifluoride

¹A₁^'

D_3h

576

BClF₂

Chlorodifluoroborane

577

BCl₃

Borane, trichloro-

¹A₁^'

D_3h

578

BCl₃⁺

Boron Trichloride cation

579

GaF₃

Gallium trifluoride

¹A₁^'

D_3h

580

GaCl₃

Gallium trichloride

¹A₁^'

D_3h

581

CF₂Cl

difluorochloromethyl radical

582

CFCl₂

dichlorofluoromethyl radical

583

CBr₃

tribromomethyl radical

584

ClO₂F

Chloryl fluoride

¹A^'

C_s

585

SSCl₂

Thiothionyl chloride

586

NF₃

Nitrogen trifluoride

¹A₁

C_3v

587

NCl₃

nitrogen trichloride

¹A₁

C_3v

588

NBr₃

Nitrogen Tribromide

¹A₁

C_3v

589

HClO₃

Chloric Acid

¹A^'

C_s

590

HClO₃

Chloric Acid

¹A

C₁

591

CHF₃

Methane, trifluoro-

¹A₁

C_3v

592

SiHF₃

trifluorosilane

593

CHCl₃

Chloroform

¹A₁

C_3v

594

CHBrF₂

Methane, bromodifluoro-

¹A^'

C_s

595

CHFClBr

fluorochlorobromomethane

¹A

C₁

596

CHBrCl₂

Methane, bromodichloro-

¹A^'

C_s

597

CHBr₂F

dibromofluoromethane

598

AsF₃H⁺

Arsenic trifluoride, protonated

599

C₂H₂ClF

1-chloro-1-fluoroethylene

¹A^'

C_s

600

CHFCHCl

(E)-1-chloro-2-fluoroethene

¹A^'

C_s

601

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

¹A^'

C_s

602

CHBrCHBr

Ethene, 1,2-dibromo-, (E)-

603

CHBrCHBr

Ethene, 1,2-dibromo-, (Z)-

604

C₂H₄F₂

1,2-difluoroethane

¹A_g

C2H anti

605

C₂H₄F₂

1,2-difluoroethane

¹A

C2 gauche

606

CH₃CHF₂

Ethane, 1,1-difluoro-

¹A^'

C_s

607

CH₂BrCH₂Cl

1-bromo-2-chloroethane

608

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

¹A_g

C_2h

609

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

¹A

C₂

610

CH₂CHCH₂F

Allyl Fluoride

611

CH₂CHCH₂F

Allyl Fluoride

612

CH₃CHCHF

trans-1-Fluoro-1-propene

613

CH₂FCH₂OH

2-fluoroethanol

614

CH₂FCH₂CH₃

1-Fluoropropane

¹A^'

C_s

615

CH₂FCH₂CH₃

1-Fluoropropane

616

CH₃CHFCH₃

2-Fluoropropane

¹A^'

C_s

617

CH₃CHClCH₃

Propane, 2-chloro-

¹A^'

C_s

618

B₅H₉

pentaborane9

619

C₅H₄

pentatetraene

620

C₅H₆

Propellane

¹A₁

D_3h

621

C₅H₈

Bicyclo[1.1.1]pentane

622

C₃H₄N₂

2H-Imidazole

¹A₁

C_2v

623

C₄H₅N

Pyrrole

¹A₁

C_2v

624

C₃O₂

Carbon suboxide

¹Σ_G

D_∞h

625

B₂O₃

diboron trioxide

626

B₂O₃

diboron trioxide

627

CHOOCHO

diformyl ether

628

C₃H₃NO

Isoxazole

¹A^'

C_s

629

C₃H₃NS

Thiazole

630

C₄H₄O

Furan

¹A₁

C₂

631

CH₃COCCH

3-butyn-2-one

¹A^'

C_s

632

C₄H₄Se

selenophene

633

HCOOC₂H₅

Ethyl formate

¹A^'

C_s

634

C₂H₆O₂S

Dimethyl sulfone

¹A₁

C_2v

635

C₄H₈S

Thiophene, tetrahydro-

¹A

C₁

636

C₄H₁₀O

Ethoxy ethane

¹A₁

C_2v

637

C₄H₁₀O

Methyl propyl ether

¹A

C₁

638

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

¹A^'

C_s

639

C₄H₉SH

1-Butanethiol

640

CF₃Cl

Methane, chlorotrifluoro-

¹A₁

C_3v

641

CF₂Cl₂

difluorodichloromethane

¹A₁

C_2v

642

CF₃Br

Bromotrifluoromethane

¹A₁

C_3v

643

GeF₄

Germanium tetrafluoride

¹A₁

T_d

644

CCl₄

Carbon tetrachloride

¹A₁

T_d

645

CBrCl₂F

bromodichlorofluoromethane

646

CBr₂ClF

dibromochlorofluoromethane

647

CBr₂Cl₂

dibromodichloromethane

¹A₁

C_2v

648

CBr₃Cl

tribromochloromethane

¹A₁

C_3v

649

CBr₄

Carbon tetrabromide

¹A₁

T_d

650

GeBr₄

Germanium tetrabromide

651

SF₄

Sulfur tetrafluoride

¹A₁

C_2v

652

SeF₄

Selenium tetrafluoride

653

SCl₄

Sulfur tetrachloride

654

CH₂ClCCCl

1,3-dichloropropyne

655

CHCl₂CCH

3,3-dichloropropyne

656

CHCl₂CHO

dichloroacetaldehyde

657

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

¹A

C₁

658

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

¹A^'

C_s

659

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

660

CH₂FCH₂CH₂F

1,3-difluoropropane

661

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

¹A₁

C_2v

662

C₂H₂N₂O

Furazan

663

C₆H₆

Prismane

664

C₆H₆

1,2,4,5-Hexatetraene

¹A_g

C_2h

665

C₆H₆

Benzene

¹A_1g

D_6h

666

C₆H₆

Benzvalene

¹A₁

C_2v

667

C₆H₆

Dewar Benzene

668

N₃P₃

1,3,5,2,4,6-Triazatriphosphorine

669

N₂O₄

Dinitrogen tetroxide

¹A_g

D_2d

670

C₃H₂O₃

vinylene carbonate

671

C₅H₆O

2H-Pyran

672

C₅H₆O

Pentadienal

673

C₄H₆O₂

γ–Butyrolactone

¹A

C₁

674

C₃H₆O₃

1,3,5-Trioxane

¹A₁

C₁

675

C₄H₈O₂

Ethyl acetate

¹A^'

C_s

676

C₅H₁₀O

3-Pentanone

¹A₁

C_2v

677

C₄F₂

difluorobutadiyne

678

C₂ClF₃

Ethene, chlorotrifluoro-

679

C₂Br₄

tetrabromoethene

680

SiF₅^-

silicon pentafluoride anion

681

PF₅

Phosphorus pentafluoride

¹A₁^'

D_3h

682

CHCl₂CHCl₂

Ethane, 1,1,2,2-tetrachloro-

683

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

684

C₇H₇

cycloheptatrienyl radical

²A₂

C_2v

685

C₇H₇⁺

cycloheptatrienyl cation

¹A₁^'

D_7h

686

CH(CN)₃

tricyanomethane

687

HN=C=C(CN)₂

Dicyanoketenimine

688

C₅H₄O₂

furfural

¹A^'

OCCO cis

689

C₅H₄O₂

furfural

¹A^'

OCCO trans

690

C₆H₁₂O

Oxepane

691

F₂CCCF₂

tetrafluoroallene

692

SF₆

Sulfur Hexafluoride

¹A_1G

O_h

693

C₈H₈

cubane

¹A_1G

O_h

694

S₄N₄

Tetrasulfur tetranitride

695

C₆H₅CHO

benzaldehyde

¹A^'

C_s

696

C₆H₄F₂

1,4-difluorobenzene

¹A_g

D_2h

697

C₆H₄Cl₂

1,4-dichlorobenzene

698

C₆H₅NO

nitrosobenzene

¹A^'

C_s

699

C₃F₆

hexafluoropropene

700

C₈H₁₈O

1-Octanol

701

C₁₀H₁₀

bullvalene

702

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

703

C₁₃H₁₀

Fluorene

704

C₁₄H₁₄

Bibenzyl

¹A

C₂

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 anion	h-
5	D₂	Deuterium diatomic	d2
6	H₂^-	hydrogen diatomic anion	h2-
7	H₂⁺	Hydrogen cation	h2+
8	HD	Deuterium hydride	hd
9	H₃⁺	hydrogen trimer cation	h3+
10	He^-	Helium atom anion	he-
11	HeH	Helium hydride	heh
12	Li^-	Lithium atom anion	li-
13	Na^-	Sodium atom anion	na-
14	K^-	Potassium atom anion	k-
15	K⁺	Potassium atom cation	k+
16	Cu^-	Copper atom anion	cu-
17	Cu⁺	Copper atom cation	cu+
18	LiH^-	lithium hydride anion	lih-
19	LiH⁺	lithium hydride cation	lih+
20	NaH	sodium hydride	nah
21	NaH^-	sodium hydride anion	nah-
22	NaH⁺	sodium hydride cation	nah+
23	KH⁺	Potassium hydrogen cation	kh+
24	CuH	Copper monohydride	cuh
25	Be^-	Beryllium atom anion	be-
26	Mg^-	Magnesium atom anion	mg-
27	Ca^-	Calcium atom anion	ca-
28	Ca⁺	Calcium atom cation	ca+
29	Zn^-	Zinc atom anion	zn-
30	Zn⁺	Zinc atom cation	zn+
31	BeH	beryllium monohydride	beh
32	BeH^-	berylium monohydride anion	beh-
33	BeH⁺	beryllium monohydride cation	beh+
34	MgH^-	magnesium monohydride anion	mgh-
35	MgH⁺	magnesium monohydride cation	mgh+
36	CaH	Calcium monohydride	cah
37	CaH⁺	Calcium monohydride cation	cah+
38	TiH	Titanium monohydride	tih
39	ZnH	Zinc monohydride	znh
40	BeH₂	beryllium dihydride	beh2
41	MgH₂	magnesium dihydride	mgh2
42	ZnH₂	Zinc hydride	znh2
43	B^-	Boron atom anion	b-
44	Sc	Scandium atom	sc
45	Sc⁺	Scandium cation	sc+
46	BH	Boron monohydride	bh
47	BH^-	boron monohydride anion	bh-
48	BH⁺	boron monohydride cation	bh+
49	AlH	aluminum monohydride	alh
50	AlH^-	aluminum monohydride anion	alh-
51	AlH⁺	aluminum monohydride cation	alh+
52	ScH	Scandium monohydride	sch
53	ScH⁺	Scandium monohydride cation	sch+
54	BH₂	boron dihydride	bh2
55	BH₂^-	boron dihydride anion	bh2-
56	BH₂⁺	Boron dihydride cation	bh2+
57	AlH₂	aluminum dihydride	alh2
58	AlH₂^-	aluminum dihydride anion	alh2-
59	AlH₂⁺	aluminum dihydride cation	alh2+
60	BH₃	boron trihydride	bh3
61	BH₃^-	boron trihydride anion	bh3-
62	AlH₃	aluminum trihydride	alh3
63	AlH₃⁺	aluminum trihydride cation	alh3+
64	ScH₃	Scandium trihydride	sch3
65	GaH₃	Gallium trihydride	gah3
66	BH₄	borohydride	bh4
67	AlH₄^-	Aluminum tetrahydride anion	alh4-
68	C^-	Carbon atom anion	c-
69	Ti^-	Titanium atom anion	ti-
70	Ti⁺	Titanium atom cation	ti+
71	Sn	Tin atom	sn
72	Sn⁺	Tin cation	sn+
73	CH^-	methylidyne anion	ch-
74	CH⁺	Methylidyne cation	ch+
75	SiH^-	silicon monohydride anion	sih-
76	SiH⁺	silicon monohydride cation	sih+
77	GeH⁺	Germaniun monohyrdide cation	geh+
78	CH₂	Methylene	ch2
79	CH₂⁺	methylene cation	ch2+
80	SiH₂	silicon dihydride	sih2
81	SiH₂^-	silicon dihydride anion	sih2-
82	SiH₂⁺	silicon dihydride cation	sih2+
83	GeH₂^-	germylene anion	geh2-
84	CH₃^-	methyl anion	ch3-
85	CH₃⁺	methyl cation	ch3+
86	SiH₃^-	Silyl anion	sih3-
87	CD₄	methane-d4	cd4
88	CH₂D₂	methane-d2	ch2d2
89	CH₃D	methane-d	ch3d
90	CH₄^-	Methane anion	ch4-
91	CH₄⁺	Methane cation	ch4+
92	CHD₃	methane-d3	chd3
93	SiH₄⁺	Silane cation	sih4+
94	SnH₄	Stannane	snh4
95	N^-	Nitrogen atom anion	n-
96	P^-	Phosphorus atom anion	p-
97	P⁺	Phosphorus atom cation	p+
98	V	Vanadium atom	v
99	Sb	Antimony atom	sb
100	NH	Imidogen	nh
101	NH^-	Imidogen anion	nh-
102	NH⁺	imidogen cation	nh+
103	PH^-	phosphorus monohydride anion	ph-
104	PH⁺	phosphorus monohydride cation	ph+
105	AsH⁺	Arsenic monohydride cation	ash+
106	SbH	Antimony monohydride	sbh
107	ND₂	Amidogen-d2	nd2
108	NH₂^-	amino anion	nh2-
109	PH₂	Phosphino radical	ph2
110	PH₂^-	Phosphino anion	ph2-
111	PH₂⁺	Phosphino cation	ph2+
112	AsH₂	Arsenic dihydride	ash2
113	AsH₂⁺	Arsenic dihydride cation	ash2+
114	ND₃	Ammonia-d3	nd3
115	NH₃^-	Ammonia anion	nh3-
116	NH₃⁺	ammonia cation	nh3+
117	SbH₃	Stibine	sbh3
118	NH₄⁺	ammonium cation	nh4+
119	PH₄⁺	phosphonium cation	ph4+
120	O^-	Oxygen atom anion	o-
121	S^-	Sulfur atom anion	s-
122	S⁺	Sulfur atom cation	s+
123	Cr	Chromium atom	cr
124	Te	Tellurium atom	te
125	Te⁺	Tellurium atom cation	te+
126	DO	Hydroxyl-d	od
127	OH^-	hydroxide anion	oh-
128	DS	Mercapto-d	ds
129	HS	Mercapto radical	hs
130	TeH	Telluryl radical	teh
131	D₂O	Deuterium oxide	d2o
132	D₂S	Hydrogen sulfide-d2	d2s
133	H₂S^-	Hydrogen sulfide anion	h2s-
134	H₂Te	Hydrogen Telluride	h2te
135	H₃O⁺	hydronium cation	h3o+
136	Mn	Manganese atom	mn
137	I	Iodine atom	iodine
138	I^-	Iodine atom anion	iodine-
139	I⁺	Iodine atom cation	iodine+
140	DF	Hydrofluoric acid-d	df
141	DCl	Hydrochloric acid-d	dcl
142	HI	Hydrogen iodide	hi
143	HI⁺	Hydrogen iodide cation	hi+
144	H₂F⁺	dihydrogen fluoride cation	h2f+
145	H₂I⁺	Iodonium	h2i+
146	Ne^-	Neon atom anion	ne-
147	Ar^-	Argon atom anion	ar-
148	Ar⁺	Argon atom cation	ar+
149	Fe	Iron atom	fe
150	Xe	Xenon atom	xe
151	NeH	neon hydrogen	neh
152	NeH⁺	neon hydrogen cation	neh+
153	XeH⁺	Xenon, protonated	xeh+
154	H₂Ar	H2 Ar dimer	h2ar
155	Co	Cobalt atom	cobalt
156	Ni	Nickel atom	ni
157	Li₂	Lithium diatomic	li2
158	Li₂^-	lithium diatomic anion	li2-
159	Li₂⁺	lithium diatomic cation	li2+
160	NaLi^-	lithium sodium anion	lina-
161	NaLi⁺	lithium sodium cation	lina+
162	LiK	Lithium Potassium	lik
163	Na₂⁺	sodium diatomic cation	na2+
164	NaK	Sodium Potassium	nak
165	NaK⁺	Sodium Potassium diatomic cation	nak+
166	K₂	Potassium diatomic	k2
167	Cu₂	Copper diatomic	cu2
168	LiBe	Lithium Beryllium	libe
169	LiMg	Lithium magnesium	limg
170	NaBe	Sodium Beryllium	nabe
171	NaMg	Sodium Magnesium	namg
172	Be₂	Beryllium diatomic	be2
173	Be₂^-	Beryllium diatomic anion	be2-
174	Be₂⁺	Beryllium diatomic cation	be2+
175	BeMg	Beryllium Magnesium	bemg
176	Mg₂	Magnesium diatomic	mg2
177	Mg₂^-	magnesium diatomic anion	mg2-
178	Mg₂⁺	magnesium diatomic cation	mg2+
179	Ca₂	Calcium diatomic	ca2
180	LiB	Lithium boride	lib
181	NaAl	Sodium aluminum	naal
182	BeB	Beryllium monoboride	beb
183	B₂	Boron diatomic	b2
184	B₂^-	Boron diatomic anion	b2-
185	B₂⁺	Boron diatomic cation	b2+
186	BAl	Boron Aluminum	bal
187	Al₂	Aluminum diatomic	al2
188	Al₂^-	aluminum diatomic anion	al2-
189	Al₂⁺	aluminum diatomic cation	al2+
190	BGa	Boron Gallium	bga
191	AlGa	Aluminum Gallium	alga
192	Ga₂	Gallium diatomic	ga2
193	LiBH₄	Lithium borohydride	libh4
194	HBHHBH	Diborane(4) C2V	hbhhbh
195	Al₂H₆	dialane	al2h6
196	Ga₂H₆	digallane	ga2h6
197	LiC	Lithium Carbide	lic
198	BeC	Beryllium Carbide	bec
199	BC	boron monocarbide	bc
200	BC^-	boron monocarbide anion	bc-
201	BC⁺	boron monocarbide cation	bc+
202	AlC	Aluminum carbide	alc
203	C₂	Carbon diatomic	c2
204	C₂^-	carbon diatomic anion	c2-
205	C₂⁺	carbon diatomic cation	c2+
206	SiC	silicon monocarbide	sic
207	SiC^-	silicon monocarbide anion	sic-
208	SiC⁺	silicon monocarbide cation	sic+
209	Si₂^-	silcon diatomic anion	si2-
210	Si₂⁺	silcon diatomic cation	si2+
211	Ge₂	Germanium diatomic	ge2
212	C₂H	Ethynyl radical	c2h
213	C₂H⁺	Ethynyl cation	c2h+
214	ZnCH₂	Zinc methylene	znch2
215	CCH₂	vinylidene	vinylidene
216	CuCH₃	monomethyl copper	cuch3
217	ZnCH₃	Zinc monomethyl	znch3
218	CH₂BH	methyleneborane	ch2bh
219	C₂H₃^-	vinyl anion	c2h3-
220	C₂H₄^-	Ethylene anion	c2h4-
221	CH₃CH	methylmethylene	ch3ch
222	CH₂SiH₂	silaethylene	ch2sih2
223	CH₃BH₂	methylborane	ch3bh2
224	C₂H₅^-	Ethyl anion	c2h5-
225	C₂H₅⁺	Ethyl cation	c2h5+
226	C₂H₆⁺	ethane cation	c2h6+
227	CH₃SiH₃	methyl silane	ch3sih3
228	GeH₃CH₃	methyl germane	geh3ch3
229	C₂H₇⁺	Ethane, protonated	c2h7+
230	LiN⁺	Lithium Nitride cation	lin+
231	BeN	Beryllium mononitride	ben
232	BeN^-	Beryllium mononitride anion	ben-
233	BeN⁺	Beryllium mononitride cation	ben+
234	BN^-	boron nitride anion	bn-
235	AlN^-	aluminum mononitride anion	aln-
236	AlN⁺	aluminum mononitride cation	aln+
237	BP	Boron monophosphide	bp
238	AlP	Aluminum monophosphide	alp
239	GaN	Gallium mononitride	gan
240	GaP	Gallium monophosphide	gap
241	BN	boron nitride	bn
242	BN⁺	boron nitride cation	bn+
243	AlN	Aluminum nitride	aln
244	CN^-	cyanide anion	cn-
245	CN⁺	Cyano cation	cn+
246	CP	Carbon monophosphide	cp
247	CP^-	carbon monophosphide anion	cp-
248	CP⁺	carbon monophosphide cation	cp+
249	SiN	Silicon nitride	sin
250	SiN^-	silicon mononitride anion	sin-
251	SiN⁺	silicon mononitride cation	sin+
252	SiP^-	Silicon monophosphide anion	sip-
253	SiP⁺	Silicon monophosphide cation	sip+
254	TiN	Titanium mononitride	tin
255	N₂^-	nitrogen diatomic anion	n2-
256	N₂⁺	diatomic nitrogen cation	n2+
257	PN^-	phosphorus nitride anion	pn-
258	PN⁺	phosphorus nitride cation	pn+
259	P₂	Phosphorus diatomic	p2
260	P₂^-	phosphorus diatomic anion	p2-
261	P₂⁺	phosphorus diatomic cation	p2+
262	AsN	Arsenic mononitride	asn
263	AsP	Arsenic monophosphide	asp
264	SbN	Antimony nitride	sbn
265	As₂	Arsenic diatomic	as2
266	HNB	hydrogen nitrogen boron	hnb
267	HNC	hydrogen isocyanide	hnc
268	HCN^-	Hydrogen cyanide anion	hcn-
269	HCP	Phosphaethyne	hcp
270	NNH	Dinitrogen monohydride	nnh
271	HPO	Hydrogen phosphorus oxide	hpo
272	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
273	CNH₂	Aminomethylidyne radical	cnh2
274	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
275	H₂CN	Dihydrogen cyanide radical	h2cn
276	H₂CN⁺	hydrocyanonium cation	h2cn+
277	HCNH	methyleneazane	hcnh
278	HCNH⁺	N-protonated HCN	hcnh+
279	N₂H₂	(E)-diazene	n2h2
280	N₂H₂	(Z)-Diazene	n2h2z
281	CH₂PH	Phosphaethene	ch3p
282	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
283	N₂H₄⁺	hydrazine cation	n2h4+
284	P₂H₄	Diphosphine	p2h4
285	CH₃NH₂⁺	methyl amine cation	ch3nh2+
286	CH₃PH₂	Methyl phosphine	ch3ph2
287	N₂H₅⁺	protonated hydrazine	n2h5+
288	CH₃NH₃⁺	protonated methylamine	ch3nh3+
289	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
290	NH₃NH₃	Ammonia Dimer	nh3nh3
291	LiO	lithium oxide	lio
292	LiO^-	lithium oxide anion	lio-
293	LiO⁺	lithium oxide cation	lio+
294	LiS	Lithium monosulfide	lis
295	LiS⁺	Lithium sulfide cation	lis+
296	NaO	sodium monoxide	nao
297	NaO^-	sodium oxide anion	nao-
298	NaO⁺	sodium oxide cation	nao+
299	KO	Potassium monoxide	ko
300	KO⁺	Potassium monoxide cation	ko+
301	NaS	Sodium sulfide	nas
302	CuO	Copper Monoxide	cuo
303	BeO	beryllium oxide	beo
304	BeO^-	Beryllium monoxide anion	beo-
305	BeO⁺	Beryllium monoxide cation	beo+
306	BeS	beryllium sulfide	bes
307	MgO	magnesium oxide	mgo
308	MgO^-	magnesium oxide anion	mgo-
309	MgO⁺	magnesium oxide cation	mgo+
310	MgS	magnesium sulfide	mgs
311	MgS^-	magnesium sulfide anion	mgs-
312	MgS⁺	magnesium sulfide cation	mgs+
313	ZnO	zinc monoxide	zno
314	ZnS	Zinc sulfide	zns
315	BeS^-	Beryllium monosulfide anion	bes-
316	BeS⁺	Beryllium monosulfide cation	bes+
317	BO^-	boron monoxide anion	bo-
318	AlO	Aluminum monoxide	alo
319	AlO^-	Aluminum monoxide anion	alo-
320	AlO⁺	aluminum monoxide cation	alo+
321	BS	boron sulfide	bs
322	BS^-	boron monosulfide anion	bs-
323	BS⁺	boron monosulfide cation	bs+
324	AlS	Aluminum sulfide	als
325	AlS^-	aluminum monosulfide anion	als-
326	AlS⁺	aluminum monosulfide cation	als+
327	ScO	Scandium monoxide	sco
328	BO⁺	boron monoxide cation	bo+
329	CS	carbon monosulfide	cs
330	CS^-	carbon monosulfide anion	cs-
331	CS⁺	carbon monosulfide cation	cs+
332	SiO^-	silicon monoxide anion	sio-
333	SiO⁺	silicon monoxide cation	sio+
334	SiS^-	silicon monosulfide anion	sis-
335	SiS⁺	silicon monosulfide cation	sis+
336	TiO	Titanium monoxide	tio
337	CSe^-	Carbon monoselenide anion	cse-
338	CSe⁺	Carbon monoselenide cation	cse+
339	GeO⁺	Germanium monoxide cation	geo+
340	GeS	Germanium monosulfide	ges
341	NS	Mononitrogen monosulfide	ns
342	NS^-	nitrogen sulfide anion	ns-
343	NS⁺	nitrogen sulfide cation	ns+
344	PO^-	phosphorus monoxide anion	po-
345	PO⁺	phosphorus monoxide cation	po+
346	PS^-	phosphorus monosulfide anion	ps-
347	PS⁺	phosphorus monosulfide cation	ps+
348	VO	Vanadium monoxide	vo
349	AsO	Arsenic monoxide	aso
350	O₂^-	oxygen diatomic anion	o2-
351	O₂⁺	diatomic oxygen cation	o2+
352	SO^-	sulfur monoxide anion	so-
353	S₂^-	sulfur diatomic anion	s2-
354	S₂⁺	sulfur diatomic cation	s2+
355	SeO^-	selenium monoxide anion	seo-
356	SeO⁺	selenium monoxide cation	seo+
357	SeS	Selenium monosulfide	ses
358	SeS^-	selenium monosulfide anion	ses-
359	SeS⁺	selenium monosulfide cation	ses+
360	TeO	Tellurium monoxide	teo
361	Se₂^-	selenium diatomic anion	se2-
362	Se₂⁺	selenium diatomic cation	se2+
363	Te₂	Tellurium diatomic	te2
364	NaOH	sodium hydroxide	naoh
365	MgOH	magnesium hydroxide	mgoh
366	CaOH	Calcium monohydroxide	caoh
367	COH⁺	Carbon Monoxide, protonated	coh+
368	HCS	Thioformyl radical	hcs
369	HCS^-	Thioformyl anion	hcs-
370	HCS⁺	Thioformyl cation	hcs+
371	HNO^-	Nitrosyl hydride anion	hno-
372	NOH	Hydroxyimidogen	noh
373	NOH⁺	O-protonated nitric oxide	noh+
374	HNS	Sulfur imide	hns
375	HNS^-	Sulfur imide anion	hns-
376	HO₂	Hydroperoxy radical	ho2
377	HO₂^-	Hydroperoxy anion	ho2-
378	HO₂⁺	Hydroperoxy cation	ho2+
379	HS₂	Thiosulfeno radical	hs2
380	HOCH	hydroxycarbene	hoch
381	H₂CS⁺	thioformaldehyde cation	h2cs+
382	H₂NO	nitroxide	h2no
383	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
384	H₂S₂	Disulfane	h2s2
385	H₂S₂⁺	hydrogen disulfide cation	h2s2+
386	CH₂OH	Hydroxymethyl radical	ch2oh
387	CH₃O	Methoxy radical	ch3o
388	CH₃O⁺	Methoxy cation	ch3o+
389	CH₃S	thiomethoxy	ch3s
390	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
391	NH₃O	Ammonia Oxide	nh3o
392	H₂POH	Phosphinous acid	h2poh
393	H₃PO	Phosphine oxide	h3po
394	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
395	CH₃OH^-	Methyl alcohol anion	ch3oh-
396	CH₃SH⁺	Methanethiol cation	ch3sh+
397	CH₃SeH	Methane selenol	ch3seh
398	H₂OH₂O	water dimer	h2oh2o
399	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
400	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
401	H₂ONH₃	Water Ammonia Dimer	h2onh3
402	LiCl^-	lithium chloride anion	licl-
403	LiCl⁺	lithium chloride cation	licl+
404	NaF	sodium fluoride	naf
405	NaF^-	sodium fluoride anion	naf-
406	KF	Potassium Fluoride	kf
407	NaCl	Sodium Chloride	nacl
408	NaCl^-	sodium chloride anion	nacl-
409	NaCl⁺	sodium chloride cation	nacl+
410	KCl	Potassium Chloride	kcl
411	CuF	Copper monofluoride	cuf
412	LiBr^-	lithium bromide anion	libr-
413	LiBr⁺	lithium bromide cation	libr+
414	CuCl	Copper monochloride	cucl
415	NaBr	Sodium Bromide	nabr
416	NaBr^-	sodium bromide anion	nabr-
417	NaBr⁺	sodium bromide cation	nabr+
418	KBr	Potassium Bromide	kbr
419	LiI	Lithium Iodide	lii
420	NaI	Sodium Iodide	nai
421	KI	Potassium Iodide	ki
422	LiF^-	lithium fluoride anion	lif-
423	BeF	Beryllium monofluoride	bef
424	BeF^-	Beryllium monofluoride anion	bef-
425	BeF⁺	Beryllium monofluoride cation	bef+
426	BeCl	beryllium monochloride	becl
427	MgF	Magnesium monofluoride	mgf
428	MgF^-	magnesium fluoride anion	mgf-
429	MgF⁺	magnesium fluoride cation	mgf+
430	CaF	Calcium monofluoride	caf
431	MgCl	magnesium monochloride	mgcl
432	MgCl^-	magnesium monochloride anion	mgcl-
433	MgCl⁺	magnesium monochloride cation	mgcl+
434	CaCl	calcium monochloride	cacl
435	TiCl	Titanium Monochloride	ticl
436	ZnF	Zinc monofluoride	znf
437	ZnF^-	Zinc monofluoride anion	znf-
438	ZnF⁺	Zinc monofluoride cation	znf+
439	ZnCl	Zinc monochloride	zncl
440	BeCl^-	beryllium monochloride anion	becl-
441	BeCl⁺	beryllium monochloride cation	becl+
442	BF^-	Boron monofluoride anion	bf-
443	BF⁺	Boron monofluoride cation	bf+
444	AlF^-	Aluminum monofluoride anion	alf-
445	AlF⁺	Aluminum monofluoride cation	alf+
446	BCl	boron monochloride	bcl
447	BCl^-	boron monochloride anion	bcl-
448	BCl⁺	boron monochloride cation	bcl+
449	AlCl	Aluminum monochloride	alcl
450	AlCl^-	aluminum monochloride anion	alcl-
451	AlCl⁺	aluminum monochloride cation	alcl+
452	ScF	Scandium monofluoride	scf
453	BBr	Boron monobromide	bbr
454	GaF⁺	Gallium monofluoride cation	gaf+
455	GaCl⁺	Gallium monochloride cation	gacl+
456	AlI	Aluminum monoiodide	ali
457	CF^-	carbon monofluoride anion	cf-
458	CF⁺	carbon monofluoride cation	cf+
459	CCl	carbon monochloride	ccl
460	CCl^-	carbon monochloride anion	ccl-
461	CCl⁺	carbon monochloride cation	ccl+
462	SiF	silicon monofluoride	sif
463	SiF^-	silicon monofluoride anion	sif-
464	SiF⁺	silicon monofluoride cation	sif+
465	SiCl^-	silicon monochloride anion	sicl-
466	SiCl⁺	silicon monochloride cation	sicl+
467	GeF⁺	Germanium monofluoride cation	gef+
468	NF	nitrogen fluoride	nf
469	NF^-	nitrogen monofluorine anion	nf-
470	NF⁺	nitrogen monofluoirde cation	nf+
471	NCl^-	nitrogen monochloride anion	ncl-
472	NCl⁺	nitrogen monochloride cation	ncl+
473	PF	phosphorus monofluoride	pf
474	PF^-	phosphorus monofluoride anion	pf-
475	PF⁺	phosphorus monofluoride cation	pf+
476	PCl	phosphorus chloride	pcl
477	PCl^-	phosphorus monochloride anion	pcl-
478	PCl⁺	phosphorus monochloride cation	pcl+
479	AsF	Arsenic monofluoride	asf
480	NBr	nitrogen monobromide	nbr
481	AsCl	Arsenic monochloride	ascl
482	SbF	Antimony monofluoride	sbf
483	SbCl	Antimony monochloride	sbcl
484	FO	Oxygen monofluoride	fo
485	FO^-	flourine oxide anion	fo-
486	FO⁺	fluorine monoxide cation	fo+
487	ClO^-	chlorine monoxide anion	clo-
488	SF^-	sulfur monofluoride anion	sf-
489	SCl	sulfur monochloride	scl
490	SCl^-	sulfur monochloride anion	scl-
491	BrO^-	Bromine monoxide anion	bro-
492	SeF	Selenium monofluoride	sef
493	SeCl	Selenium monochloride	secl
494	IO	Iodine monoxide	io
495	F₂^-	flourine diatomic anion	f2-
496	ClF^-	clorine monofluoride anion	clf-
497	Cl₂^-	chlorine diatomic anion	cl2-
498	BrF^-	bromine fluoride anion	brf-
499	BrF⁺	bromine fluoride cation	brf+
500	BrCl^-	bromine chloride anion	brcl-

count

Species

Name

file name

problem

Deuterium atom

D^-

Deuterium atom anion

D⁺

Deuterium atom cation

H^-

Hydrogen atom anion

D₂

Deuterium diatomic

H₂^-

hydrogen diatomic anion

h2-

H₂⁺

Hydrogen cation

h2+

Deuterium hydride

H₃⁺

hydrogen trimer cation

h3+

He^-

Helium atom anion

he-

HeH

Helium hydride

heh

Li^-

Lithium atom anion

li-

Na^-

Sodium atom anion

na-

K^-

Potassium atom anion

K⁺

Potassium atom cation

Cu^-

Copper atom anion

cu-

Cu⁺

Copper atom cation

cu+

LiH^-

lithium hydride anion

lih-

LiH⁺

lithium hydride cation

lih+

NaH

sodium hydride

nah

NaH^-

sodium hydride anion

nah-

NaH⁺

sodium hydride cation

nah+

KH⁺

Potassium hydrogen cation

kh+

CuH

Copper monohydride

cuh

Be^-

Beryllium atom anion

be-

Mg^-

Magnesium atom anion

mg-

Ca^-

Calcium atom anion

ca-

Ca⁺

Calcium atom cation

ca+

Zn^-

Zinc atom anion

zn-

Zn⁺

Zinc atom cation

zn+

BeH

beryllium monohydride

beh

BeH^-

berylium monohydride anion

beh-

BeH⁺

beryllium monohydride cation

beh+

MgH^-

magnesium monohydride anion

mgh-

MgH⁺

magnesium monohydride cation

mgh+

CaH

Calcium monohydride

cah

CaH⁺

Calcium monohydride cation

cah+

TiH

Titanium monohydride

tih

ZnH

Zinc monohydride

znh

BeH₂

beryllium dihydride

beh2

MgH₂

magnesium dihydride

mgh2

ZnH₂

Zinc hydride

znh2

B^-

Boron atom anion

Scandium atom

Sc⁺

Scandium cation

sc+

Boron monohydride

BH^-

boron monohydride anion

bh-

BH⁺

boron monohydride cation

bh+

AlH

aluminum monohydride

alh

AlH^-

aluminum monohydride anion

alh-

AlH⁺

aluminum monohydride cation

alh+

ScH

Scandium monohydride

sch

ScH⁺

Scandium monohydride cation

sch+

BH₂

boron dihydride

bh2

BH₂^-

boron dihydride anion

bh2-

BH₂⁺

Boron dihydride cation

bh2+

AlH₂

aluminum dihydride

alh2

AlH₂^-

aluminum dihydride anion

alh2-

AlH₂⁺

aluminum dihydride cation

alh2+

BH₃

boron trihydride

bh3

BH₃^-

boron trihydride anion

bh3-

AlH₃

aluminum trihydride

alh3

AlH₃⁺

aluminum trihydride cation

alh3+

ScH₃

Scandium trihydride

sch3

GaH₃

Gallium trihydride

gah3

BH₄

borohydride

bh4

AlH₄^-

Aluminum tetrahydride anion

alh4-

C^-

Carbon atom anion

Ti^-

Titanium atom anion

ti-

Ti⁺

Titanium atom cation

ti+

Tin atom

Sn⁺

Tin cation

sn+

CH^-

methylidyne anion

ch-

CH⁺

Methylidyne cation

ch+

SiH^-

silicon monohydride anion

sih-

SiH⁺

silicon monohydride cation

sih+

GeH⁺

Germaniun monohyrdide cation

geh+

CH₂

Methylene

ch2

CH₂⁺

methylene cation

ch2+

SiH₂

silicon dihydride

sih2

SiH₂^-

silicon dihydride anion

sih2-

SiH₂⁺

silicon dihydride cation

sih2+

GeH₂^-

germylene anion

geh2-

CH₃^-

methyl anion

ch3-

CH₃⁺

methyl cation

ch3+

SiH₃^-

Silyl anion

sih3-

CD₄

methane-d4

cd4

CH₂D₂

methane-d2

ch2d2

CH₃D

methane-d

ch3d

CH₄^-

Methane anion

ch4-

CH₄⁺

Methane cation

ch4+

CHD₃

methane-d3

chd3

SiH₄⁺

Silane cation

sih4+

SnH₄

Stannane

snh4

N^-

Nitrogen atom anion

P^-

Phosphorus atom anion

P⁺

Phosphorus atom cation

Vanadium atom

Antimony atom

100

Imidogen

101

NH^-

Imidogen anion

nh-

102

NH⁺

imidogen cation

nh+

103

PH^-

phosphorus monohydride anion

ph-

104

PH⁺

phosphorus monohydride cation

ph+

105

AsH⁺

Arsenic monohydride cation

ash+

106

SbH

Antimony monohydride

sbh

107

ND₂

Amidogen-d2

nd2

108

NH₂^-

amino anion

nh2-

109

PH₂

Phosphino radical

ph2

110

PH₂^-

Phosphino anion

ph2-

111

PH₂⁺

Phosphino cation

ph2+

112

AsH₂

Arsenic dihydride

ash2

113

AsH₂⁺

Arsenic dihydride cation

ash2+

114

ND₃

Ammonia-d3

nd3

115

NH₃^-

Ammonia anion

nh3-

116

NH₃⁺

ammonia cation

nh3+

117

SbH₃

Stibine

sbh3

118

NH₄⁺

ammonium cation

nh4+

119

PH₄⁺

phosphonium cation

ph4+

120

O^-

Oxygen atom anion

121

S^-

Sulfur atom anion

122

S⁺

Sulfur atom cation

123

Chromium atom

124

Tellurium atom

125

Te⁺

Tellurium atom cation

te+

126

Hydroxyl-d

127

OH^-

hydroxide anion

oh-

128

Mercapto-d

129

Mercapto radical

130

TeH

Telluryl radical

teh

131

D₂O

Deuterium oxide

d2o

132

D₂S

Hydrogen sulfide-d2

d2s

133

H₂S^-

Hydrogen sulfide anion

h2s-

134

H₂Te

Hydrogen Telluride

h2te

135

H₃O⁺

hydronium cation

h3o+

136

Manganese atom

137

Iodine atom

iodine

138

I^-

Iodine atom anion

iodine-

139

I⁺

Iodine atom cation

iodine+

140

Hydrofluoric acid-d

141

DCl

Hydrochloric acid-d

dcl

142

Hydrogen iodide

143

HI⁺

Hydrogen iodide cation

hi+

144

H₂F⁺

dihydrogen fluoride cation

h2f+

145

H₂I⁺

Iodonium

h2i+

146

Ne^-

Neon atom anion

ne-

147

Ar^-

Argon atom anion

ar-

148

Ar⁺

Argon atom cation

ar+

149

Iron atom

150

Xenon atom

151

NeH

neon hydrogen

neh

152

NeH⁺

neon hydrogen cation

neh+

153

XeH⁺

Xenon, protonated

xeh+

154

H₂Ar

H2 Ar dimer

h2ar

155

Cobalt atom

cobalt

156

Nickel atom

157

Li₂

Lithium diatomic

li2

158

Li₂^-

lithium diatomic anion

li2-

159

Li₂⁺

lithium diatomic cation

li2+

160

NaLi^-

lithium sodium anion

lina-

161

NaLi⁺

lithium sodium cation

lina+

162

LiK

Lithium Potassium

lik

163

Na₂⁺

sodium diatomic cation

na2+

164

NaK

Sodium Potassium

nak

165

NaK⁺

Sodium Potassium diatomic cation

nak+

166

K₂

Potassium diatomic

167

Cu₂

Copper diatomic

cu2

168

LiBe

Lithium Beryllium

libe

169

LiMg

Lithium magnesium

limg

170

NaBe

Sodium Beryllium

nabe

171

NaMg

Sodium Magnesium

namg

172

Be₂

Beryllium diatomic

be2

173

Be₂^-

Beryllium diatomic anion

be2-

174

Be₂⁺

Beryllium diatomic cation

be2+

175

BeMg

Beryllium Magnesium

bemg

176

Mg₂

Magnesium diatomic

mg2

177

Mg₂^-

magnesium diatomic anion

mg2-

178

Mg₂⁺

magnesium diatomic cation

mg2+

179

Ca₂

Calcium diatomic

ca2

180

LiB

Lithium boride

lib

181

NaAl

Sodium aluminum

naal

182

BeB

Beryllium monoboride

beb

183

B₂

Boron diatomic

184

B₂^-

Boron diatomic anion

b2-

185

B₂⁺

Boron diatomic cation

b2+

186

BAl

Boron Aluminum

bal

187

Al₂

Aluminum diatomic

al2

188

Al₂^-

aluminum diatomic anion

al2-

189

Al₂⁺

aluminum diatomic cation

al2+

190

BGa

Boron Gallium

bga

191

AlGa

Aluminum Gallium

alga

192

Ga₂

Gallium diatomic

ga2

193

LiBH₄

Lithium borohydride

libh4

194

HBHHBH

Diborane(4) C2V

hbhhbh

195

Al₂H₆

dialane

al2h6

196

Ga₂H₆

digallane

ga2h6

197

LiC

Lithium Carbide

lic

198

BeC

Beryllium Carbide

bec

199

boron monocarbide

200

BC^-

boron monocarbide anion

bc-

201

BC⁺

boron monocarbide cation

bc+

202

AlC

Aluminum carbide

alc

203

C₂

Carbon diatomic

204

C₂^-

carbon diatomic anion

c2-

205

C₂⁺

carbon diatomic cation

c2+

206

SiC

silicon monocarbide

sic

207

SiC^-

silicon monocarbide anion

sic-

208

SiC⁺

silicon monocarbide cation

sic+

209

Si₂^-

silcon diatomic anion

si2-

210

Si₂⁺

silcon diatomic cation

si2+

211

Ge₂

Germanium diatomic

ge2

212

C₂H

Ethynyl radical

c2h

213

C₂H⁺

Ethynyl cation

c2h+

214

ZnCH₂

Zinc methylene

znch2

215

CCH₂

vinylidene

216

CuCH₃

monomethyl copper

cuch3

217

ZnCH₃

Zinc monomethyl

znch3

218

CH₂BH

methyleneborane

ch2bh

219

C₂H₃^-

vinyl anion

c2h3-

220

C₂H₄^-

Ethylene anion

c2h4-

221

CH₃CH

methylmethylene

ch3ch

222

CH₂SiH₂

silaethylene

ch2sih2

223

CH₃BH₂

methylborane

ch3bh2

224

C₂H₅^-

Ethyl anion

c2h5-

225

C₂H₅⁺

Ethyl cation

c2h5+

226

C₂H₆⁺

ethane cation

c2h6+

227

CH₃SiH₃

methyl silane

ch3sih3

228

GeH₃CH₃

methyl germane

geh3ch3

229

C₂H₇⁺

Ethane, protonated

c2h7+

230

LiN⁺

Lithium Nitride cation

lin+

231

BeN

Beryllium mononitride

ben

232

BeN^-

Beryllium mononitride anion

ben-

233

BeN⁺

Beryllium mononitride cation

ben+

234

BN^-

boron nitride anion

bn-

235

AlN^-

aluminum mononitride anion

aln-

236

AlN⁺

aluminum mononitride cation

aln+

237

Boron monophosphide

238

AlP

Aluminum monophosphide

alp

239

GaN

Gallium mononitride

gan

240

GaP

Gallium monophosphide

gap

241

boron nitride

242

BN⁺

boron nitride cation

bn+

243

AlN

Aluminum nitride

aln

244

CN^-

cyanide anion

cn-

245

CN⁺

Cyano cation

cn+

246

Carbon monophosphide

247

CP^-

carbon monophosphide anion

cp-

248

CP⁺

carbon monophosphide cation

cp+

249

SiN

Silicon nitride

sin

250

SiN^-

silicon mononitride anion

sin-

251

SiN⁺

silicon mononitride cation

sin+

252

SiP^-

Silicon monophosphide anion

sip-

253

SiP⁺

Silicon monophosphide cation

sip+

254

TiN

Titanium mononitride

tin

255

N₂^-

nitrogen diatomic anion

n2-

256

N₂⁺

diatomic nitrogen cation

n2+

257

PN^-

phosphorus nitride anion

pn-

258

PN⁺

phosphorus nitride cation

pn+

259

P₂

Phosphorus diatomic

260

P₂^-

phosphorus diatomic anion

p2-

261

P₂⁺

phosphorus diatomic cation

p2+

262

AsN

Arsenic mononitride

asn

263

AsP

Arsenic monophosphide

asp

264

SbN

Antimony nitride

sbn

265

As₂

Arsenic diatomic

as2

266

HNB

hydrogen nitrogen boron

hnb

267

HNC

hydrogen isocyanide

hnc

268

HCN^-

Hydrogen cyanide anion

hcn-

269

HCP

Phosphaethyne

hcp

270

NNH

Dinitrogen monohydride

nnh

271

HPO

Hydrogen phosphorus oxide

hpo

272

HPO⁺

Hydrogen phosphorus oxide cation

hpo+

273

CNH₂

Aminomethylidyne radical

cnh2

274

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

275

H₂CN

Dihydrogen cyanide radical

h2cn

276

H₂CN⁺

hydrocyanonium cation

h2cn+

277

HCNH

methyleneazane

hcnh

278

HCNH⁺

N-protonated HCN

hcnh+

279

N₂H₂

(E)-diazene

n2h2

280

N₂H₂

(Z)-Diazene

n2h2z

281

CH₂PH

Phosphaethene

ch3p

282

CH₂NH₂⁺

methyleneamine cation

ch2nh2+

283

N₂H₄⁺

hydrazine cation

n2h4+

284

P₂H₄

Diphosphine

p2h4

285

CH₃NH₂⁺

methyl amine cation

ch3nh2+

286

CH₃PH₂

Methyl phosphine

ch3ph2

287

N₂H₅⁺

protonated hydrazine

n2h5+

288

CH₃NH₃⁺

protonated methylamine

ch3nh3+

289

CH₃PH₃⁺

methyl phosphine, protonated

ch3ph3+

290

NH₃NH₃

Ammonia Dimer

nh3nh3

291

LiO

lithium oxide

lio

292

LiO^-

lithium oxide anion

lio-

293

LiO⁺

lithium oxide cation

lio+

294

LiS

Lithium monosulfide

lis

295

LiS⁺

Lithium sulfide cation

lis+

296

NaO

sodium monoxide

nao

297

NaO^-

sodium oxide anion

nao-

298

NaO⁺

sodium oxide cation

nao+

299

Potassium monoxide

300

KO⁺

Potassium monoxide cation

ko+

301

NaS

Sodium sulfide

nas

302

CuO

Copper Monoxide

cuo

303

BeO

beryllium oxide

beo

304

BeO^-

Beryllium monoxide anion

beo-

305

BeO⁺

Beryllium monoxide cation

beo+

306

BeS

beryllium sulfide

bes

307

MgO

magnesium oxide

mgo

308

MgO^-

magnesium oxide anion

mgo-

309

MgO⁺

magnesium oxide cation

mgo+

310

MgS

magnesium sulfide

mgs

311

MgS^-

magnesium sulfide anion

mgs-

312

MgS⁺

magnesium sulfide cation

mgs+

313

ZnO

zinc monoxide

zno

314

ZnS

Zinc sulfide

zns

315

BeS^-

Beryllium monosulfide anion

bes-

316

BeS⁺

Beryllium monosulfide cation

bes+

317

BO^-

boron monoxide anion

bo-

318

AlO

Aluminum monoxide

alo

319

AlO^-

Aluminum monoxide anion

alo-

320

AlO⁺

aluminum monoxide cation

alo+

321

boron sulfide

322

BS^-

boron monosulfide anion

bs-

323

BS⁺

boron monosulfide cation

bs+

324

AlS

Aluminum sulfide

als

325

AlS^-

aluminum monosulfide anion

als-

326

AlS⁺

aluminum monosulfide cation

als+

327

ScO

Scandium monoxide

sco

328

BO⁺

boron monoxide cation

bo+

329

carbon monosulfide

330

CS^-

carbon monosulfide anion

cs-

331

CS⁺

carbon monosulfide cation

cs+

332

SiO^-

silicon monoxide anion

sio-

333

SiO⁺

silicon monoxide cation

sio+

334

SiS^-

silicon monosulfide anion

sis-

335

SiS⁺

silicon monosulfide cation

sis+

336

TiO

Titanium monoxide

tio

337

CSe^-

Carbon monoselenide anion

cse-

338

CSe⁺

Carbon monoselenide cation

cse+

339

GeO⁺

Germanium monoxide cation

geo+

340

GeS

Germanium monosulfide

ges

341

Mononitrogen monosulfide

342

NS^-

nitrogen sulfide anion

ns-

343

NS⁺

nitrogen sulfide cation

ns+

344

PO^-

phosphorus monoxide anion

po-

345

PO⁺

phosphorus monoxide cation

po+

346

PS^-

phosphorus monosulfide anion

ps-

347

PS⁺

phosphorus monosulfide cation

ps+

348

Vanadium monoxide

349

AsO

Arsenic monoxide

aso

350

O₂^-

oxygen diatomic anion

o2-

351

O₂⁺

diatomic oxygen cation

o2+

352

SO^-

sulfur monoxide anion

so-

353

S₂^-

sulfur diatomic anion

s2-

354

S₂⁺

sulfur diatomic cation

s2+

355

SeO^-

selenium monoxide anion

seo-

356

SeO⁺

selenium monoxide cation

seo+

357

SeS

Selenium monosulfide

ses

358

SeS^-

selenium monosulfide anion

ses-

359

SeS⁺

selenium monosulfide cation

ses+

360

TeO

Tellurium monoxide

teo

361

Se₂^-

selenium diatomic anion

se2-

362

Se₂⁺

selenium diatomic cation

se2+

363

Te₂

Tellurium diatomic

te2

364

NaOH

sodium hydroxide

naoh

365

MgOH

magnesium hydroxide

mgoh

366

CaOH

Calcium monohydroxide

caoh

367

COH⁺

Carbon Monoxide, protonated

coh+

368

HCS

Thioformyl radical

hcs

369

HCS^-

Thioformyl anion

hcs-

370

HCS⁺

Thioformyl cation

hcs+

371

HNO^-

Nitrosyl hydride anion

hno-

372

NOH

Hydroxyimidogen

noh

373

NOH⁺

O-protonated nitric oxide

noh+

374

HNS

Sulfur imide

hns

375

HNS^-

Sulfur imide anion

hns-

376

HO₂

Hydroperoxy radical

ho2

377

HO₂^-

Hydroperoxy anion

ho2-

378

HO₂⁺

Hydroperoxy cation

ho2+

379

HS₂

Thiosulfeno radical

hs2

380

HOCH

hydroxycarbene

hoch

381

H₂CS⁺

thioformaldehyde cation

h2cs+

382

H₂NO

nitroxide

h2no

383

H₂O₂⁺

Hydrogen peroxide cation

h2o2+

384

H₂S₂

Disulfane

h2s2

385

H₂S₂⁺

hydrogen disulfide cation

h2s2+

386

CH₂OH

Hydroxymethyl radical

ch2oh

387

CH₃O

Methoxy radical

ch3o

388

CH₃O⁺

Methoxy cation

ch3o+

389

CH₃S

thiomethoxy

ch3s

390

H₂CSH⁺

Thioformaldehyde, protonated

h2csh+

391

NH₃O

Ammonia Oxide

nh3o

392

H₂POH

Phosphinous acid

h2poh

393

H₃PO

Phosphine oxide

h3po

394

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

395

CH₃OH^-

Methyl alcohol anion

ch3oh-

396

CH₃SH⁺

Methanethiol cation

ch3sh+

397

CH₃SeH

Methane selenol

ch3seh

398

H₂OH₂O

water dimer

h2oh2o

399

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

400

CH₃SH₂⁺

protonated methylsulfide

ch3sh2+

401

H₂ONH₃

Water Ammonia Dimer

h2onh3

402

LiCl^-

lithium chloride anion

licl-

403

LiCl⁺

lithium chloride cation

licl+

404

NaF

sodium fluoride

naf

405

NaF^-

sodium fluoride anion

naf-

406

Potassium Fluoride

407

NaCl

Sodium Chloride

nacl

408

NaCl^-

sodium chloride anion

nacl-

409

NaCl⁺

sodium chloride cation

nacl+

410

KCl

Potassium Chloride

kcl

411

CuF

Copper monofluoride

cuf

412

LiBr^-

lithium bromide anion

libr-

413

LiBr⁺

lithium bromide cation

libr+

414

CuCl

Copper monochloride

cucl

415

NaBr

Sodium Bromide

nabr

416

NaBr^-

sodium bromide anion

nabr-

417

NaBr⁺

sodium bromide cation

nabr+

418

KBr

Potassium Bromide

kbr

419

LiI

Lithium Iodide

lii

420

NaI

Sodium Iodide

nai

421

Potassium Iodide

422

LiF^-

lithium fluoride anion

lif-

423

BeF

Beryllium monofluoride

bef

424

BeF^-

Beryllium monofluoride anion

bef-

425

BeF⁺

Beryllium monofluoride cation

bef+

426

BeCl

beryllium monochloride

becl

427

MgF

Magnesium monofluoride

mgf

428

MgF^-

magnesium fluoride anion

mgf-

429

MgF⁺

magnesium fluoride cation

mgf+

430

CaF

Calcium monofluoride

caf

431

MgCl

magnesium monochloride

mgcl

432

MgCl^-

magnesium monochloride anion

mgcl-

433

MgCl⁺

magnesium monochloride cation

mgcl+

434

CaCl

calcium monochloride

cacl

435

TiCl

Titanium Monochloride

ticl

436

ZnF

Zinc monofluoride

znf

437

ZnF^-

Zinc monofluoride anion

znf-

438

ZnF⁺

Zinc monofluoride cation

znf+

439

ZnCl

Zinc monochloride

zncl

440

BeCl^-

beryllium monochloride anion

becl-

441

BeCl⁺

beryllium monochloride cation

becl+

442

BF^-

Boron monofluoride anion

bf-

443

BF⁺

Boron monofluoride cation

bf+

444

AlF^-

Aluminum monofluoride anion

alf-

445

AlF⁺

Aluminum monofluoride cation

alf+

446

BCl

boron monochloride

bcl

447

BCl^-

boron monochloride anion

bcl-

448

BCl⁺

boron monochloride cation

bcl+

449

AlCl

Aluminum monochloride

alcl

450

AlCl^-

aluminum monochloride anion

alcl-

451

AlCl⁺

aluminum monochloride cation

alcl+

452

ScF

Scandium monofluoride

scf

453

BBr

Boron monobromide

bbr

454

GaF⁺

Gallium monofluoride cation

gaf+

455

GaCl⁺

Gallium monochloride cation

gacl+

456

AlI

Aluminum monoiodide

ali

457

CF^-

carbon monofluoride anion

cf-

458

CF⁺

carbon monofluoride cation

cf+

459

CCl

carbon monochloride

ccl

460

CCl^-

carbon monochloride anion

ccl-

461

CCl⁺

carbon monochloride cation

ccl+

462

SiF

silicon monofluoride

sif

463

SiF^-

silicon monofluoride anion

sif-

464

SiF⁺

silicon monofluoride cation

sif+

465

SiCl^-

silicon monochloride anion

sicl-

466

SiCl⁺

silicon monochloride cation

sicl+

467

GeF⁺

Germanium monofluoride cation

gef+

468

nitrogen fluoride

469

NF^-

nitrogen monofluorine anion

nf-

470

NF⁺

nitrogen monofluoirde cation

nf+

471

NCl^-

nitrogen monochloride anion

ncl-

472

NCl⁺

nitrogen monochloride cation

ncl+

473

phosphorus monofluoride

474

PF^-

phosphorus monofluoride anion

pf-

475

PF⁺

phosphorus monofluoride cation

pf+

476

PCl

phosphorus chloride

pcl

477

PCl^-

phosphorus monochloride anion

pcl-

478

PCl⁺

phosphorus monochloride cation

pcl+

479

AsF

Arsenic monofluoride

asf

480

NBr

nitrogen monobromide

nbr

481

AsCl

Arsenic monochloride

ascl

482

SbF

Antimony monofluoride

sbf

483

SbCl

Antimony monochloride

sbcl

484

Oxygen monofluoride

485

FO^-

flourine oxide anion

fo-

486

FO⁺

fluorine monoxide cation

fo+

487

ClO^-

chlorine monoxide anion

clo-

488

SF^-

sulfur monofluoride anion

sf-

489

SCl

sulfur monochloride

scl

490

SCl^-

sulfur monochloride anion

scl-

491

BrO^-

Bromine monoxide anion

bro-

492

SeF

Selenium monofluoride

sef

493

SeCl

Selenium monochloride

secl

494

Iodine monoxide

495

F₂^-

flourine diatomic anion

f2-

496

ClF^-

clorine monofluoride anion

clf-

497

Cl₂^-

chlorine diatomic anion

cl2-

498

BrF^-

bromine fluoride anion

brf-

499

BrF⁺

bromine fluoride cation

brf+

500

BrCl^-

bromine chloride anion

brcl-

501

BrCl⁺

bromine chloride cation

brcl+

502

Iodine monofluoride

503

ICl

Iodine monochloride

icl

504

IBr

Iodine monobromide

ibr

505

I₂

Iodine diatomic

506

I₂⁺

Iodine diatomic cation

i2+

507

HCCl

Chloromethylene

hccl

508

CHBr

bromomethylene

chbr

509

DOCl

Hypochlorous acid-d

docl

510

HOBr

Hypobromous acid

hobr

511

HOBr⁺

Hypobromous acid cation

hobr+

512

HOI

Hypoiodous acid

hoi

513

FHF

Hydrogen difluoride

fhf

514

FHF^-

Hydrogen difluoride anion

fhf-

515

NH₂F

monofluoroamine

nh2f

516

H₂F₂

Hydrogen fluoride dimer

h2f2

517

CD₃F

methylfluoride-d3

cd3f

518

CD₃Cl

methyl chloride d3

cd3cl

519

SiH₃Br

bromosilane

sih3br

520

CH₃I

methyl iodide

ch3i

521

SiH₃I

Silyl Iodide

sih3i

522

Ne₂

Neon diatomic

ne2

523

Ne₂⁺

Neon diatomic cation

ne2+

524

Ar₂⁺

Argon diatomic cation

ar2+

525

Li₃

Lithium trimer

li3

526

Li₃⁺

Lithium trimer cation

li3+

527

C₃⁺

carbon trimer cation

c3+

528

C₃H₃

cyclopropenyl radical

cpr

529

C₃H₃

Propargyl radical

propargyl

530

C₃H₃^-

Propargyl anion

c3h3-

531

C₃H₃⁺

cyclopropenyl cation

cpr+

532

C₃H₃⁺

Propargyl cation

c3h3+

533

C₃H₅⁺

Allyl cation

allyl+

534

CH₃CHCH

1-propenyl radical

ch3chch

535

Zn(CH₃)₂

dimethyl zinc

dmz

536

C₃H₇⁺

cyclopropane, protonated

c3h7+

537

SiH₂(CH₃)₂

dimethylsilane

dms

538

NaCN

Sodium Cyanide

nacn

539

CuCN

Copper cyanide

cucn

540

CN₂

3H-Diazirin-3-ylidene

cn2

541

NCN

Cyanoimidogen

ncn

542

N₃^-

azide anion

n3-

543

N₃⁺

azide cation

n3+

544

HCCN

cyanomethylene

hccn

545

HCNN

diazomethyl radical

hcnn

546

CH₂N₂

diazirine

ch2n2

547

CH₂NN

diazomethane

ch2nn

548

NH₂CN

cyanamide

549

CH₃CN⁺

Acetonitrile cation

ch3cn+

550

CH₃NC

methyl isocyanide

ch3nc

551

HNCNH₂⁺

diiminomethane, protonated

hncnh2+

552

NCNH₃⁺

Cyanamide, protonated

ncnh3+

553

CH₂CHNH

vinylazine

ch2chnh

554

CH₃CHN

methylmethaniminyl radical

ch3chn

555

NHCHNH₂

aminomethanimine

cn2h4

556

C₂H₅N

Aziridine

c2h5n

557

CH₂CHNH₂

aminoethene

558

CH₂NCH₃

N-methylmethanimine

nmm

559

CH₃CHNH

ethanimine

560

NH₂BHNH₂

diaminoborane

nh2bhnh2

561

C₂H₅NH⁺

Protonated Aziridine

c2h5nh+

562

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

563

CH₃NHCH₃

Dimethylamine

ch3nhch3

564

CH₃PHCH₃

dimethylphosphine

ch3phch3

565

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

566

(CH₃)₂NH₂⁺

dimethylammonium cation

dmam

567

CH₃CH₂NH₃⁺

ethylamine, protonated

pea

568

Li₂O⁺

dilithium oxide cation

li2o+

569

Li₂S

dilithium sulfide

li2s

570

CCO

Dicarbon monoxide

cco

571

CNO^-

fulminate

cno-

572

NCO^-

cyanate

nco-

573

SCN

thiocyanato radical

scn

574

SCN^-

thiocyanide anion

scn-

575

BO₂

Boron dioxide

bo2

576

BO₂^-

Boron dioxide anion

bo2-

577

BO₂⁺

Boron dioxide cation

bo2+

578

N₂O^-

Nitrous oxide anion

n2o-

579

N₂O⁺

Nitrous oxide cation

n2o+

580

NNS

Nitrogen sulfide

nns

581

PPO

Phosphorus oxide phosphide

ppo

582

CO₂^-

Carbon dioxide anion

co2-

583

CO₂⁺

Carbon dioxide cation

co2+

584

OCS⁺

Carbonyl sulfide cation

cos+

585

SiO₂

silicon dioxide

sio2

586

CS₂^-

Carbon disulfide anion

cs2-

587

CS₂⁺

Carbon disulfide cation

cs2+

588

TiO₂

Titanium dioxide

tio2

589

SiS₂

Silicon disulfide

sis2

590

GeS₂

Germanium disulfide

ges2

591

CSe₂

Carbon diselenide

cse2

592

SCTe

Carbon sulfide Telluride

scte

593

NO₂^-

Nitrogen dioxide anion

no2-

594

NO₂⁺

Nitrogen dioxide cation

no2+

595

PO₂

Phosphorus dioxide

po2

596

PO₂^-

Phosphorus dioxide anion

po2-

597

PO₂⁺

Phosphorus dioxide cation

po2+

598

AsO₂

Aresenic dioxide

aso2

599

O₃

Ozone

600

O₃^-

Ozone anion

o3-

601

O₃⁺

Ozone cation

o3+

602

SO₂^-

Sulfur dioxide anion

so2-

603

SO₂⁺

Sulfur dioxide cation

so2+

604

S₃^-

Sulfur trimer anion

s3-

605

S₃⁺

Sulfur trimer cation

s3+

606

SeO₂⁺

Selenium dioxide cation

seo2+

607

TeO₂

Tellurium Dioxide

teo2

608

CS₂H⁺

Carbon disulfide, protonated

cs2h+

609

HNCO

Isocyanic acid

hnco

610

HOCN

cyanic acid

hocn

611

HCO₂^-

formate anion

hco2-

612

HNNO

nitrosoazane

hnno

613

HNNO⁺

Nitrous oxide, N-protonated

hnno+

614

NNOH⁺

Nitrous Oxide, O-protonated

nnoh+

615

HCOO

formate neutral radical

hcoo

616

HOCO⁺

Hydrocarboxyl cation

hoco+

617

HNO₂

Nitrous acid

hno2

618

HNO₂⁺

nitrous acid cation

hno2+

619

SO₂H⁺

protonated sulfur dioxide

so2h+

620

CH₂CO⁺

Ketene cation

ch2co+

621

HCCOH

ethynol

hccoh

622

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

623

NH₂NO

Nitrosamide

nh2no

624

CH₂O₂

Dioxirane

diox

625

H₂O₃

Hydrogen trioxide

h2o3

626

HSSSH

trisulfane

hsssh

627

NaOCH₃

Sodium methoxide

naoch3

628

CH₂BOH

hydroxy(methylene)borane

ch2boh

629

CH₃BO

Borane, methyloxo-

ch3bo

630

CH₂CHO

Vinyloxy radical

ch2cho

631

CH₃CO

Acetyl radical

ch3co

632

CH₃CO^-

Acetyl anion

ch3co-

633

CH₃CO⁺

acetyl cation

ch3co+

634

CH₂NOH

formaldoxime

ch2noh

635

CH₃NO

nitrosomethane

ch3no

636

CHONH₂

formamide

637

CNOH₃

1,2-oxaziridine

cnoh3

638

CH₂OOH

CH2OOH radical

ch2ooh

639

CH₃OO

methylperoxy radical

ch3oo

640

CH₃OO^-

methylperoxy anion

ch3oo-

641

CH₃OO⁺

methylperoxy cation

ch3oo+

642

CH₂CHOH

ethenol

ch2choh

643

H₂CONH₂⁺

protonated formamide

h2conh2+

644

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

645

CH₂(OH)₂

methanediol

ch2o2h2

646

CH₃OOH

Methyl peroxide

ch3ooh

647

H₂OH₂CO

water formaldehyde dimer

h2oh2co

648

CH₂CH₂OH

2-hydroxy ethyl radical

ch2ch2oh

649

CH₃CH₂O

Ethoxy radical

ethoxy

650

CH₃CHOH

1-hydroxy-ethyl radical

ch3choh

651

CH₃CHOH⁺

acetaldehyde, protonated

ch3choh+

652

CH₃OCH₂

methoxymethyl radical

ch3och2

653

CH₃SeCH₃

dimethylselenide

dmse

654

CH₃OHH₂O

methanol water dimer

ch3ohh2o

655

H₂OCH₃OH

water methanol dimer

h2och3oh

656

CuF₂

Copper difluoride

cuf2

657

ZnF₂

Zinc difluoride

znf2

658

FCN

Cyanogen fluoride

fcn

659

ClCN

chlorocyanogen

clcn

660

ICN

Cyanogen iodide

icn

661

BeF₂

Beryllium fluoride

bef2

662

MgF₂

Magnesium fluoride

mgf2

663

BeCl₂

Beryllium chloride

becl2

664

MgCl₂

Magnesium dichloride

mgcl2

665

CaCl₂

Calcium Chloride

cacl2

666

ZnCl₂

Zinc dichloride

zncl2

667

CaF₂

Calcium difluoride

caf2

668

FCO

Carbonyl fluoride

fco

669

FCO⁺

Carbonyl fluoride cation

fco+

670

ClCO

carbonyl monochloride

clco

671

FNS

Thionitrosyl fluoride

fns

672

BrNO

Nitrosyl bromide

brno

673

INO

Nitrosyl iodide

ino

674

CF₂^-

Difluoromethylene anion

cf2-

675

CF₂⁺

Difluoromethylene cation

cf2+

676

SiF₂⁺

Silicon difluoride cation

sif2+

677

CCl₂

dichloromethylene

ccl2

678

CCl₂^-

dichloromethylene anion

ccl2-

679

CCl₂⁺

dichloromethylene cation

ccl2+

680

SiCl₂

Dichlorosilylene

sicl2

681

GeF₂

Germanium difluoride

gef2

682

FOO

Dioxygen monofluoride radical

foo

683

ClOO

chloroperoxy radical

cloo

684

ClOO⁺

chloroperoxy cation

cloo+

685

OClO⁺

Chlorine dioxide cation

oclo+

686

ClSO

Sulfur chloride oxide

clso

687

ClS₂

Sulfur chloride

cls2

688

NF₂

Difluoroamino radical

nf2

689

NF₂⁺

Difluoroamino cation

nf2+

690

F₂O

Difluorine monoxide

f2o

691

SF₂^-

sulfur difluoride anion

sf2-

692

SF₂⁺

sulfur difluoride cation

sf2+

693

Cl₂O

Dichlorine monoxide

cl2o

694

SCl₂

Sulfur dichloride

scl2

695

BrOCl

Bromine hypochlorite

brocl

696

BrOBr

Bromine oxide

brobr

697

F₃^-

trifluoride anion

f3-

698

Cl₃^-

trichloride anion

cl3-

699

I₃^-

triiodide

i3-

700

HCCF⁺

fluoroacetylene cation

hccf+

701

HCCCl

Chloroacetylene

hcccl

702

HFCO

formyl fluoride

hfco

703

HFCO⁺

formyl fluoride cation

hfco+

704

COHCl

Formyl chloride

cohcl

705

COHBr

Formyl bromide

cohbr

706

BHF₂

Difluoroborane

bhf2

707

BHCl₂

Borane, dichloro-

bhcl2

708

CHCl₂

dichloromethyl radical

chcl2

709

HOClO

Chlorous acid

hoclo

710

CH₂FCl

fluorochloromethane

ch2fcl

711

CH₂BrF

Methane, bromofluoro-

ch2fbr

712

CH₂FI

fluoroiodomethane

ch2fi

713

CH₂ClI

chloroiodomethane

ch2cli

714

CH₂BrI

bromoiodomethane

ch2bri

715

CH₂I₂

Diiodomethane

ch2i2

716

SiH₂Cl₂

dichlorosilane

sih2cl2

717

CH₂CHF⁺

fluoroethene cation

ch2chf+

718

C₂H₃Cl

Ethene, chloro-

ch2chcl

719

C₂H₃Br

vinyl bromide

c2h3br

720

C₂H₃I

Vinyl iodide

c2h3i

721

CH₃OCl

methyl hypochlorite

ch3ocl

722

C₂H₅F

fluoroethane

c2h5f

723

CH₃CH₂Cl

Ethyl chloride

c2h5cl

724

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

725

C₂H₅I

Ethyl iodide

c2h5i

726

KrF₂

Krypton difluoride

krf2

727

XeF₂

Xenon difluoride

xef2

728

B₄H₁₀

Tetraborane(10)

b4h10

729

C₄⁺

Carbon tetramer cation

c4+

730

C₄H₂

Diacetylene

c4h2

731

C₂H₃CCH

1-Buten-3-yne

c2h3cch

732

C₄H₄

cyclobutadiene

cbd

733

H₂CCCCH₂

Butatriene

h2cccch2

734

C₄H₆

Cyclobutene

c822355

735

C₄H₆

Methylenecyclopropane

c6142730

736

CH₂CCHCH₃

1,2-Butadiene

butad12

737

CH₂CHCHCH₂

1,3-Butadiene

c106990

738

CH₃CCCH₃

2-Butyne

c503173

739

CHCCH₂CH₃

1-Butyne

c107006

740

CH₃CHCHCH₂

methylallyl radical

c4h7

741

C₄H₈

methylcyclopropane

mcp

742

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

743

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

744

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

745

B(CH₃)₃

trimethylborane

bme3

746

Al(CH₃)₃

trimethyl aluminum

tma

747

C(CH₃)₃

Tert-butyl radical

tbutyl

748

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

749

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

750

CH₃CH(CH₃)CH₃

Isobutane

isobutane

751

SiH(CH₃)₃

trimethylsilane

trimsi

752

Li₃N

trilithium nitride

li3n

753

C₂N₂

Cyanogen

c2n2

754

C₂N₂⁺

Cyanogen cation

c2n2+

755

P₄

Phosphorus tetramer

756

HCCCN

Cyanoacetylene

hcccn

757

C₃H₃N

acrylonitrile

ch2chcn

758

C₃H₃N⁺

acrylonitrile cation

ch2chcn+

759

CH₃N₃

methyl azide

ch3n3

760

NH₂CCNH₂

Diaminoacetylene

daa

761

NH₂CH₂CN

Aminoacetonitrile

aan

762

CH₃NHN₂⁺

methyl azide, protonated

ch3nhn2+

763

CH₅N₃

Guanidine

guanidine

764

C₄H₆

Bicyclo[1.1.0]butane

c157335

765

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

766

CH₆N₃⁺

guanidinium

ch6n3+

767

C₃H₇N

Cyclopropylamine

cpram

768

C₃H₇N

Azetidine

azet

769

C₄H₈

cyclobutane

cbutane

770

C₂H₈N₂

Ethylenediamine

ethdiam

771

CH₃NHNHCH₃

dimethyl hydrazine

dmh

772

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

773

N(CH₃)₃

Trimethylamine

trimeam

774

P(CH₃)₃

trimethylphosphine

tmp

775

As(CH₃)₃

trimethyl arsine

tmas

776

(CH₃)₃NH⁺

protonated trimethyl amine

ptma

777

C₃H₇NH₃⁺

n-propylamine, protonated

c3h7nh2

778

Li₂O₂

dilithium dioxide

li2o2

779

C₃O

Tricarbon monoxide

c3o

780

B₂O₂

Diboron dioxide

b2o2

781

CO₃

Carbon trioxide

co3

782

CO₃^--

carbonate

co3--

783

NO₃

Nitrogen trioxide

no3

784

NO₃^-

nitrate anion

no3-

785

NO₃⁺

nitrogen trioxide cation

no3+

786

SO₃^-

Sulfur trioxide anion

so3-

787

SO₃⁺

Sulfur trioxide cation

so3+

788

SeO₃

selenium trioxide

seo3

789

TeO₃

Tellurium trioxide

teo3

790

HCO₃^-

bicarbonate anion

hco3-

791

HSO₃

Hydroxysulfonyl radical

hso3

792

NH₂NO₂

nitramide

nh2no2

793

C₂H₂CO

cyclopropenone

c2h2co

794

HCCCHO

2-propynal

hcccho

795

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

796

H₂CO₃

Carbonic acid

h2co3

797

H₂CS₃

thiocarbonic acid

h2cs3

798

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

799

H₂SO₃

Sulfurous acid

h2so3

800

CH₃COO^-

acetate anion

ch3coo-

801

CH₃ONO

Methyl nitrite

ch3ono

802

NH₂COOH

Carbamic acid

nh2cooh

803

H₃BO₃

Boric acid

h3bo3

804

H₃CO₃⁺

carbonic acid, protonated

h3co3+

805

C₃H₄O

2-Propyn-1-ol

c107197

806

C₃H₄O

allenol

c9000071

807

C₃H₄O

Cyclopropanone

cpone

808

C₃H₄O

Methylketene

c6004440

809

NH₂CONH₂

Urea

urea

810

NH₂CONH₂⁺

Urea cation

urea+

811

NH₂CSNH₂

Thiourea

thiourea

812

C₂H₄O₂

1,3-dioxetane

c2h4o2

813

CH₃COOH

Acetic acid

ch3cooh

814

CH₃OCHO

methyl formate

ch3ocho

815

CHOCH₂OH

hydroxy acetaldehyde

haa

816

NH₂COOH₂⁺

Carbamic acid, O-protonated

nh2cooh2+

817

NH₃COOH⁺

protonated Carbamic acid

nh3cooh+

818

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

819

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

820

HCOOHH₂O

Formic acid water dimer

hcoohh2o

821

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

822

CH₃COCH₂

Acetonyl radical

ch3coch2

823

CH₃CHNOH

Acetaldoxime

acetaldoxime

824

CH₃CONH₂

Acetamide

acetamide

825

HCONHCH₃

N-methylformamide

nmfa

826

CH₅N₂O⁺

urea, N-protonated

ch4n2o+

827

H₂NCOHNH₂⁺

urea, protonated

ureah+

828

C₂H₅OO

ethylperoxy radical

c2h5oo

829

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

830

C₃H₅OH

Cyclopropanol

cproh

831

C₃H₆O

2-Propen-1-ol

c107186

832

C₃H₆O

Oxetane

oxetane

833

C₃H₆O

Propylene oxide

prox

834

CH₃COCH₃^-

acetone anion

ch3coch3-

835

C₃H₆S

Thietane

thietane

836

C₃H₆S

Thiirane, methyl-

methiirane

837

CH₃CSCH₃

Thioacetone

ch3csch3

838

C₂H₆O₂

1,2-Ethanediol

ethdiol

839

CH₃OOCH₃

dimethylperoxide

dmp

840

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

841

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

842

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

843

HOCH₂CH₂NH₂

monoethanolamine

mea

844

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

845

CH₃OC₂H₅

Ethane, methoxy-

etome

846

C₃H₇SH

1-Propanethiol

prsh

847

CH₃CHSHCH₃

2-Propanethiol

isoprsh

848

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

849

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

850

Na₂F₂

Sodium Fluoride Dimer

na2f2

851

Na₂Cl₂

Disodium dichloride

na2cl2

852

C₂F₂

difluoroacetylene

c2f2

853

C₂Cl₂

dichloroacetylene

c2cl2

854

C₂Cl₂⁺

dichloroacetylene cation

c2cl2+

855

FNO₂

Nitryl fluoride

fno2

856

FONO

Nitrosyl hypofluorite

fono

857

ClNO₂

Nitryl chloride

clno2

858

ClONO

chlorine nitrite

clono

859

BrONO

Bromine nitrite

brono

860

N₂F₂

(Z)-Difluorodiazene

n2f2_z

861

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

862

COFCl

Carbonic chloride fluoride

cofcl

863

CCl₂O

Phosgene

cl2co

864

Cl₂CS

Thiophosgene

cl2cs

865

COBr₂

Carbonic dibromide

cobr2

866

BF₃^-

Borane, trifluoro- anion

bf3-

867

AlF₂Cl

Aluminum chloride difluoride

alclf2

868

ScF₃

Scandium trifluoride

ScF3

869

AlFCl₂

Aluminum dichloride fluoride

alcl2f

870

AlCl₃

Aluminum trichloride

alcl3

871

BBr₃

Boron tribromide

bbr3

872

AlBr₃

Aluminum Bromide

albr3

873

ClO₃

Chlorine trioxide

clo3

874

ClO₃^-

chlorate anion

clo3-

875

BrO₃^-

Bromate anion

bro3-

876

CF₃

Trifluoromethyl radical

cf3

877

CF₃^-

Trifluoromethyl anion

cf3-

878

CF₃⁺

Trifluoromethyl cation

cf3+

879

SiF₃

Silicon trifluoride radical

sif3

880

SiF₃⁺

Silicon trifluoride cation

sif3+

881

CCl₃

Trichloromethyl radical

ccl3

882

CCl₃^-

Trichloromethyl anion

ccl3-

883

CCl₃⁺

Trichloromethyl cation

ccl3+

884

SiCl₃

trichlorosilyl radical

sicl3

885

SiCl₃⁺

trichlorosilyl cation

sicl3+

886

FOOF

Perfluoroperoxide

foof

887

F₂SO

Thionyl Fluoride

f2so

888

ClOOCl

Dichlorine dioxide

cloocl

889

FSSF

Difluorodisulfane

fssf

890

S₂F₂

Thio-thionyl fluoride

s2f2

891

SOCl₂

thionyl chloride

socl2

892

SeOCl₂

selenium oxychloride

seocl2

893

NF₃^-

Nitrogen trifluoride anion

nf3-

894

NF₃⁺

Nitrogen trifluoride cation

nf3+

895

PF₃

Phosphorus trifluoride

pf3

896

AsF₃

Arsenic trifluoride

asf3

897

PCl₃

Phosphorus trichloride

pcl3

898

SbF₃

Antimony Trifluoride

sbf3

899

AsCl₃

Arsenous trichloride

ascl3

900

SbCl₃

Antimony Trichloride

sbcl3

901

PBr₃

Phosphorus tribromide

pbr3

902

AsBr₃

Arsenic tribromide

asbr3

903

NI₃

Nitrogen triiodide

ni3

904

PI₃

Phosphorus triiodide

pi3

905

ClSSCl

Disulfur dichloride

s2cl2

906

SF₃

Sulfur trifluoride

sf3

907

ClF₃

Chlorine trifluoride

clf3

908

BrF₃

Bromine trifluoride

brf3

909

IF₃

iodone trifluoride

if3

910

CHF₂Cl

difluorochloromethane

chf2cl

911

CHFCl₂

fluorodichloromethane

chfcl2

912

CDCl₃

trichloromethane-d

cdcl3

913

SiHCl₃

Trichlorosilane

sihcl3

914

CHF₂I

difluoroiodomethane

chf2i

915

CHFClI

fluorochloroiodomethane

chfcli

916

CHCl₂I

dichloroiodomethane

chcl2i

917

CHClBr₂

Methane, dibromochloro-

chclbr2

918

CHBr₃

bromoform

chbr3

919

CHI₃

Iodoform

chi3

920

NF₃H⁺

protonated nitrogen trifluoride

nf3h+

921

C₂H₂F₂

Ethene, 1,2-difluoro-, (E)-

c2h2f2e

922

C₂H₂F₂

Ethene, 1,2-difluoro-, (Z)-

c2h2f2z

923

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

924

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

925

CHClCHCl

Ethene, 1,2-dichloro-, (E)-

chclchcle

926

CHClCHCl

Ethene, 1,2-dichloro-, (Z)-

chclchclz

927

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

928

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

929

CH₃COF

Acetyl fluoride

ch3cof

930

CH₂ClCHO

chloroacetaldehyde

ch2clcho

931

CH₃COCl

Acetyl Chloride

ch3cocl

932

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

ch2fch2cl

933

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

934

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

935

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

936

CH₂CFCH₃

2-fluoropropene

2fpro

937

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

938

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

939

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

940

CH₂ClCH₂OH

2-Chloroethanol

ch2clch2oh

941

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

ch2clch2oh2+

942

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

943

CH₃CH₂CH₂Br

n-propyl bromide

prbr

944

CH₃CHBrCH₃

i-propyl bromide

iprbr

945

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

946

C₅H₅

cyclopentadienyl radical

c5h5

947

C₅H₅^-

cylopentadienyl anion

c5h5-

948

C₅H₆

1,3-Cyclopentadiene

c542927

949

C₅H₆

1-Buten-3-yne, 2-methyl-

c78808

950

C₅H₆

3-Penten-1-yne, (E)-

c2004695

951

C₅H₆

3-Penten-1-yne, (Z)-

c1574409

952

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

953

C₅H₆

Cyclopropylacetylene

c6746947

954

C₅H₇

1,3-pentadienyl radical

pdyl

955

C₅H₇

cyclopentenyl radical

cpyl

956

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

957

C₅H₈

1,2-Pentadiene

c591957

958

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

959

C₅H₈

1,3-Pentadiene, (E)-

c2004708

960

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

961

C₅H₈

1,4-Pentadiene

c591935

962

C₅H₈

1-pentyne

a1pentyne

963

C₅H₈

2,3-Pentadiene

c591968

964

C₅H₈

Cyclobutane, methylene-

c1120565

965

C₅H₈

Cyclopentene

c142290

966

C₅H₈

Ethenylcyclopropane

c693867

967

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

968

C₅H₁₀

1-Butene, 2-methyl-

c563462

969

C₅H₁₀

2-Butene, 2-methyl-

c513359

970

C₅H₁₀

2-Pentene, (E)-

c646048

971

C₅H₁₀

2-Pentene, (Z)-

c627203

972

C₅H₁₀

Cyclopentane

c287923

973

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

974

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

975

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

976

C₅H₁₂

Butane, 2-methyl-

buta2

977

C₅H₁₂

Pentane

pentane

978

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

979

Si(CH₃)₄

tetramethylsilane

tms

980

N₂O₃

Dinitrogen trioxide

n2o3

981

C₃H₂N₂

Malononitrile

c3h2n2

982

CH₂N₄

1H-Tetrazole

1htz

983

C₃H₃N₂

imidazolyl radical

984

C₃H₃N₂^-

imidizolyl anion

im-

985

C₂H₃N₃

1H-1,2,4-Triazole

c288880

986

C₄H₄N

pyrrolide radical

c4h4n

987

C₄H₄N^-

pyrrolide anion

c4h4n-

988

C₃H₄N₂

1H-Imidazole

1himidaz

989

C₃H₄N₂

1H-Pyrazole

1hpyraz

990

C₃H₄N₂

4H-Imidazole

imid4h

991

C₄H₅N

(E)-2-Butenenitrile

c627269

992

C₄H₅N

(Z)-2-Butenenitrile

c1190767

993

C₄H₅N

2H-pyrrole

pyrrole2

994

C₄H₅N

3H-pyrrole

pyrrole3

995

C₄H₅N

Cyclopropanecarbonitrile

c5500210

996

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

997

C₄H₆N⁺

pyrrole, alpha-protonated

appyr

998

C₄H₆N⁺

pyrrole, beta-protonated

bppyr

999

C₄H₆N⁺

pyrrole, protonated

ppyr

1000

C₃H₆N₂

3-Aminopropionitrile

c151188

1001

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

1002

CH₃CH₂CH₂CN

Butanenitrile

c109740

1003

C₅H₈

Bicyclo[2.1.0]pentane

c185944

1004

C₅H₈

Spiropentane

c157404

1005

C₄H₉N

Cyclobutylamine

cbam

1006

C₄H₉N

Pyrrolidine

pyrrolidine

1007

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

1008

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

1009

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1010

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1011

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1012

NH(C₂H₅)₂

diethylamine

dea

1013

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1014

C₃O₂⁺

Carbon suboxide cation

c3o2+

1015

MgCO₃

Magnesium Carbonate

mgco3

1016

BeCO₃

Beryllium Carbonate

beco3

1017

CaCO₃

Calcium Carbonate

caco3

1018

ONONO

Nitrosyl nitrite

onono

1019

PO₄^---

phosphate

po4---

1020

SO₄^--

sulfate

so4--

1021

HOONO₂

peroxy nitric acid

hoono2

1022

HSO₄^-

bisulfate anion

hso4-

1023

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1024

C₃H₂O₂

Propiolic acid

c3h2o2

1025

CHOCOOH

oxo acetic acid

oaa

1026

H₂SO₄

Sulfuric acid

h2so4

1027

H₂SeO₄

Selenic acid

h2seo4

1028

C₃H₃NO

Oxazole

oxazole

1029

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1030

CH₃NO₃

Methyl nitrate

ch3no3

1031

H₃PO₄

Phosphoric Acid

h3po4

1032

C₄H₄O⁺

Furan cation

furan+

1033

C₄H₄S

Thiophene

furans

1034

C₃H₄O₂

β–Propiolactone

beta

1035

C₃H₄O₂

2-Propenoic acid

propenoic2

1036

C₃H₄O₂

Methyl glyoxal

megly

1037

C₃H₄O₂

propanedial

1038

C₃H₄O₂

propenalol

1039

HOCHCCHOH

allenediol

aldiol

1040

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1041

C₂H₄O₃

trioxolane124

triox

1042

HOCH₂COOH

Hydroxyacetic acid

hac

1043

CH₂CHCONH₂

Acrylamide

c79061

1044

CH₃OCH₂CN

Methoxyacetonitrile

c1738369

1045

CH₅N₃S

Hydrazinecarbothioamide

c79196

1046

H₂NCH₂COOH

Glycine

glycine

1047

CH₃SO₂NH₂

methanesulfonamide

ch3so2nh2

1048

C₄H₆O

cis-2-butenal

butenal2c

1049

C₄H₆O

Cyclobutanone

cbutone

1050

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1051

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1052

CH₂CHOCHCH₂

Vinyl ether

vinylether

1053

CHOCHCHCH₃

2-Butenal

butenal2

1054

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1055

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1056

CH₂CHSCHCH₂

Divinyl sulfide

divis

1057

C₂H₆N₂O

Urea, methyl-

c598505

1058

C₃H₆O₂

1,3-Dioxolane

dioxolane

1059

CH₃CH₂COOH

Propanoic Acid

propanoic

1060

CH₃COOCH₃

methyl acetate

aame

1061

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1062

C₃H₇NO

dimethylformamide

dmf

1063

C₃H₇NO

Propanamide

propanam

1064

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1065

C₄H₈O

Cyclobutanol

c2919235

1066

C₄H₈O

Furan, tetrahydro-

thf

1067

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1068

CH₃COCH₂CH₃

2-Butanone

buta2one

1069

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1070

CHOCH₂CH₂CH₃

Butanal

butanal

1071

C₃H₈O₂

1,3-Propanediol

c504632

1072

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1073

C₃H₈O₂

Methane, dimethoxy-

c109875

1074

C₃H₈O₂

Propylene glycol

c57556

1075

C₃H₈S₂

1,3-Propanedithiol

c109808

1076

C₄H₁₀O

1-Butanol

butanol1

1077

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1078

C₄H₁₀O

2-Butanol, (.+/-.)-

butanol2

1079

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1080

C₄H₁₀O

Propane, 2-methoxy-

c598538

1081

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1082

C₂H₅SC₂H₅

Diethyl sulfide

etset

1083

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1084

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1085

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1086

FNO₃

Fluorine nitrate

fno3

1087

ClONO₂

Chlorine nitrate

clono2

1088

BrONO₂

Bromine nitrate

brono2

1089

TiCl₄

Titanium tetrachloride

ticl4

1090

ClO₄^-

perchlorate anion

clo4-

1091

BF₄^-

tetrafluoroboron anion

bf4-

1092

ClFO₃

Perchloryl fluoride

clfo3

1093

SO₂F₂

Sulfuryl fluoride

so2f2

1094

SO₂Cl₂

Sulfuryl chloride

so2cl2

1095

F₃NO

Nitrogen trifluoride oxide

f3no

1096

F₃PO

Phosphoryl fluoride

pf3o

1097

Cl₃PO

Phosphoryl chloride

pcl3o

1098

CF₄

Carbon tetrafluoride

cf4

1099

SiF₄

Silicon tetrafluoride

sif4

1100

TiF₄

Titanium tetrafluoride

tif4

1101

CFCl₃

Trichloromonofluoromethane

cfcl3

1102

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1103

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

1104

SiCl₄

Silane, tetrachloro-

sicl4

1105

CF₃I

trifluoroiodomethane

cf3i

1106

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1107

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1108

GeCl₄

Germanium Tetrachloride

gecl4

1109

CCl₃I

trichloroiodomethane

ccl3i

1110

CFBr₃

fluorotribromomethane

cfbr3

1111

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1112

CF₂I₂

difluorodiiodomethane

cf2i2

1113

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1114

SiBr₄

Silicon tetrabromide

sibr4

1115

CBr₃I

tribromoiododmethane

cbr3i

1116

CI₄

tetraiodomethane

ci4

1117

SiI₄

silicon tetraiodide

sii4

1118

ClOF₃

Chlorine trifluoride oxide

clof3

1119

C₂HF₃

Trifluoroethylene

c2hf3

1120

C₂HF₃⁺

Trifluoroethylene cation

c2hf3+

1121

CHClCCl₂

Trichloroethylene

chclccl2

1122

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1123

HClO₄

perchloric acid

hclo4

1124

HSO₃F

Fluorosulfonic acid

hso3f

1125

CF₃OH

trifluoromethanol

cf3oh

1126

CHClCCHCl

1,3-dichloroallene

chclcchcl

1127

PF₃CH₂

phosphorane, trifluoromethylene-

pf3ch2

1128

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1129

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

1130

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1131

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1132

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1133

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1134

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1135

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1136

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1137

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1138

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1139

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1140

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1141

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1142

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1143

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1144

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1145

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1146

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

bute2cl1

1147

CH₃CClCHCH₃

2-Butene, 2-chloro-, (E)-

bute2cl2e

1148

CH₃CClCHCH₃

2-Butene, 2-chloro-, (Z)-

bute2cl2z

1149

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1150

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1151

C₄H₉F

1-fluorobutane

butaf1

1152

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1153

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1154

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1155

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1156

XeF₄

Xenon tetrafluoride

xef4

1157

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1158

NH₃BF₃

Amminetrifluoroboron

nh3bf3

1159

C₆H₂

hexatriyne

c6h2

1160

C₆H₄

(E)-Hexa-1,5-diyne-3-ene

c6h4e

1161

C₆H₄

(Z)-Hexa-1,5-diyne-3-ene

c6h4z

1162

C₆H₄

Benzyne

benzyne

1163

C₆H₅

phenyl

1164

C₆H₅^-

phenyl anion

phenyl-

1165

C₆H₆

2,4-Hexadiyne

hexadiyne

1166

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1167

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

1168

C₆H₆

Trimethylenecycopropane

tmcp

1169

C₆H₆⁺

Benzene cation

c6h6+

1170

C₆H₇⁺

benzene, protonated

c6h7+

1171

C₆H₈

(E)-hexa-1,3,5-triene

c821078

1172

C₆H₈

(E)-hexa-2,3,4-triene

c59660650

1173

C₆H₈

(Z)-hexa-1,3,5-triene

hexatri135

1174

C₆H₈

(Z)-hexa-2,3,4-triene

hetr234c

1175

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1176

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1177

C₆H₈

3-Methylenecyclopentene

c930267

1178

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1179

C₆H₈

Bicyclo[2.2.0]hex-1(4)-ene

c30830207

1180

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1181

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1182

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1183

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1184

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1185

C₆H₁₀

1,5-Hexadiene

c592427

1186

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1187

C₆H₁₀

1-Hexyne

hexyne1

1188

C₆H₁₀

2,4-Hexadiene, (E,E)-

hexdi24ee

1189

C₆H₁₀

2,4-Hexadiene, (E,Z)-

hexdi24ez

1190

C₆H₁₀

2,4-Hexadiene, (Z,Z)-

hexdi24zz

1191

C₆H₁₀

2-Hexyne

c764352

1192

C₆H₁₀

3-Hexyne

hexyne3

1193

C₆H₁₀

cyclohexene

1194

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1195

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1196

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1197

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1198

C₆H₁₂

(1R,2R)-1,2-dimethylcyclobutane

dmcb12t

1199

C₆H₁₂

(1r,3r)-1,3-dimethylcyclobutane

dmcb13t

1200

C₆H₁₂

(E)-2-Hexene

e2hexene

1201

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1202

C₆H₁₂

(E)-hex-3-ene

e3hexene

1203

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1204

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1205

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1206

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1207

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1208

C₆H₁₂

3-methylenepentane

c760214

1209

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1210

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1211

C₆H₁₂

Cyclohexane

cyclohexane

1212

C₆H₁₂

Cyclopentane, methyl-

c96377

1213

C₆H₁₂

Ethylcyclobutane

c4806615

1214

C₆H₁₂

hex-1-ene

hexene1

1215

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1216

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1217

C₆H₁₄

Hexane

hexane

1218

C₆H₁₄

Pentane, 2-methyl-

penta2

1219

C₆H₁₄

Pentane, 3-methyl-

penta3

1220

C₄N₂

2-Butynedinitrile

c4n2

1221

C₄H₂N₂

Fumaronitrile

c4h2n2

1222

C₂H₂N₄

sym-tetrazine

ttz

1223

C₃H₃N₃

1,3,5-Triazine

triazine135

1224

CH₃N₅

5-Aminotetrazole

c4418615

1225

C₄H₄N₂

1,3-Diazine

diazine13

1226

C₄H₄N₂

Pyrazine

pyrazine

1227

C₄H₄N₂

Pyridazine

pyridazine

1228

C₄H₄N₂

Succinonitrile

c110612

1229

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1230

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1231

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1232

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1233

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1234

C₅H₅N

Pyridine

pyridine

1235

B₃N₃H₆

borazine

1236

C₆H₆

Fulvene

fulvene

1237

C₅H₆N⁺

Pyridinium

c5h6n

1238

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1239

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1240

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1241

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1242

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1243

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1244

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1245

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1246

C₅H₉N

Pentanenitrile

c110598

1247

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1248

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1249

C₅H₁₁N

Cyclopentanamine

cypentam

1250

C₅H₁₁N

Piperidine

piper

1251

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1252

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1253

Li₂CO₃

Lithium Carbonate

li2co3

1254

Na₂CO₃

Sodium Carbonate

na2co3

1255

C₂O₄^--

oxalate anion

c2o4

1256

MgSO₄

Magnesium Sulfate

mgso4

1257

C₂H₂O₄

Oxalic Acid

oxalic

1258

C₂H₃NO₃

Oxamic acid

oxamic

1259

C₄H₄O₂

2(5H)-Furanone

furanone

1260

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1261

C₂H₄N₂O₂

Oxalamide

oxalamide

1262

C₂H₄N₂S₂

Ethanedithioamide

c79403

1263

C₂H₄CO₃

Ethylene carbonate

etco3

1264

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1265

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1266

C₂H₄O₄

Formic acid dimer

fadimer

1267

C₄H₅NO

3-Methylisoxazole

isox3m

1268

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1269

C₄H₅NS

4-Methylthiazole

c693958

1270

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1271

C₅H₆O

2-methylfuran

furan2m

1272

C₅H₆O

3-Methylfuran

furan3m

1273

C₅H₆S

Thiophene, 2-methyl-

c554143

1274

C₅H₆S

Thiophene, 3-methyl-

c616444

1275

C₄H₆O₂

2,3-Butanedione

c431038

1276

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1277

C₄H₆O₂

Crotonic Acid

crot

1278

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1279

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1280

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1281

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1282

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1283

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1284

C₄H₆OS

Vinyl sulfoxide

c1115157

1285

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1286

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1287

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1288

C₃H₆S₃

1,3,5-Trithiane

c3h6s3

1289

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1290

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1291

C₄H₇NO

2-Pyrrolidinone

c616455

1292

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1293

C₄H₇NO

Methacrylamide

c79390

1294

C₄H₇NO

Oxazole, 4,5-dihydro-2-methyl-

c1120645

1295

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1296

C₃H₇ONO

Propyl nitrite

prono

1297

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1298

CH₃CH(NH₂)COOH

Alanine

alanine

1299

CH₃NHCH₂COOH

Sarcosine

sarcosine

1300

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1301

NH₂COOC₂H₅

Urethane

urethane

1302

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1303

C₅H₈O

Cyclopentanone

c120923

1304

C₅H₈O

Furan, 2,3-dihydro-5-methyl-

c1487156

1305

C₅H₈O

Methyl cyclopropyl ketone

c765435

1306

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1307

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

1308

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1309

C₄H₈O₂

1,3-Dioxane

dioxan13

1310

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1311

C₄H₈O₂

1,4-Dioxane

dioxan14

1312

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1313

C₄H₈OS

s-Ethyl thioacetate

c625605

1314

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1315

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1316

C₄H₉NO

Butanamide

c541355

1317

C₄H₉NO

Propanamide, 2-methyl-

c563837

1318

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1319

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1320

C₅H₁₀O

2-methylbutyraldehyde

2meba

1321

C₅H₁₀O

2-Pentanone

mpk

1322

C₅H₁₀O

Cyclopentanol

c96413

1323

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1324

C₅H₁₀O

Pentanal

pal

1325

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1326

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1327

C₅H₁₀S

Cyclopentanethiol

c1679078

1328

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1329

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1330

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1331

C₄H₁₀O₂

1,3-Butanediol

budiol13

1332

C₄H₁₀O₂

1,4-Butanediol

budiol14

1333

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1334

C₄H₁₀OS

Diethyl sulfoxide

c70291

1335

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1336

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1337

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1338

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1339

C₅H₁₂O

1-Pentanol

pentanol1

1340

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1341

C₅H₁₂O

2-Pentanol

peol2

1342

C₅H₁₂O

3-Pentanol

pentan3ol

1343

C₅H₁₂O

Butane, 1-methoxy-

meobu

1344

C₅H₁₂O

Propane, 1-ethoxy-

proet

1345

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1346

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1347

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1348

C₅H₁₂S

1-Pentanethiol

c110667

1349

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1350

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1351

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1352

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1353

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1354

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1355

C₅H₁₂S

Propane, 2-methyl-2-(methylthio)-

c6163640

1356

ClCOClCO

Oxalyl chloride

oxcl

1357

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1358

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1359

B₂F₄

Diboron tetrafluoride

b2f4

1360

B₂Cl₄

Diboron tetrachloride

b2cl4

1361

C₂F₄

Tetrafluoroethylene

c2f4

1362

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1363

CF₂CCl₂

difluorodichloroethylene

cf2ccl2

1364

CFClCClF

trans-1,2-dichloro-1,2-difluoroethylene

cfclcclf

1365

CFClCFCl

cis-1,2-dichloro-1,2-difluoroethylene

cfclcfcl

1366

C₂FCl₃

fluorotrichloroethene

c2fcl3

1367

C₂Cl₄

Tetrachloroethylene

c2cl4

1368

CF₃OF

Trifluoromethylhypofluorite

cf3of

1369

SOF₄

Sulfur tetrafluoride oxide

sof4

1370

AsF₅

Arsenic pentafluoride

asf5

1371

PCl₅

Phosphorus pentachloride

pcl5

1372

SF₅

Sulfur pentafluoride

sf5

1373

SF₅⁺

pentafluoro sulfur cation

sf5+

1374

SbCl₅

Antimony pentachloride

sbcl5

1375

BrF₅

bromine pentafluoride

brf5

1376

ClF₅

chlorinepentafluoride

clf5

1377

IF₅

pentafluoroiodine

if5

1378

CF₃CHO

trifluoroacetaldehyde

cf3cho

1379

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1380

CHFClCHClF

ethane, 1,2-dichloro-1,2-difluoro-

chfclchclf

1381

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1382

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1383

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1384

CHFClCHFCl

1,2-dichloro-1,2-difluoroethane RR

chfclchfcl

1385

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

ch2clccl3

1386

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

1387

CF₃COOH

trifluoroacetic acid

cf3cooh

1388

C₄H₃ClO

Furan, 2-chloro

fur2cl

1389

C₄H₃ClO

Furan,3-chloro

fur3cl

1390

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1391

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1392

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1393

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1394

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1395

C₄H₈Cl₂

Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-

c2211678

1396

C₄H₈Cl₂

Butane, 2,3-dichloro-, (r*,s*)-

c4028562

1397

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1398

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1399

C₄H₈O₂

Butanoic acid

bua

1400

C₆H₅CH₂

benzyl radical

benzyl

1401

C₆H₅CH₃

toluene

1402

C₇H₈

cycloheptatriene

cht

1403

C₇H₈

Norbornadiene

norbor

1404

C₇H₈

Quadricyclane

qucy

1405

C₇H₁₂

Norbornane

nor

1406

C₇H₁₄

cycloheptane

c7h14

1407

C₇H₁₆

2-methylhexane

2mhex

1408

C₇H₁₆

3-methylhexane

hex3m

1409

C₇H₁₆

heptane

1410

C₆H₇N

2-Methylpyridine

1411

C₆H₅NH₂

aniline

1412

C₆H₁₃N

2-Methylpiperidine

pip2m

1413

C₆H₁₃N

cyclohexanamine

cham

1414

C₆H₁₅N

triethylamine

tea

1415

N₂O₅

Dinitrogen pentoxide

n2o5

1416

C₄H₂O₃

Maleic Anhydride

malan

1417

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1418

C₆H₅O

phenoxy radical

phenoxy

1419

C₅H₅NO

2(1H)-Pyridinone

c72762006

1420

C₅H₅NO

2(3H)-Pyridinone

c9000048

1421

C₅H₅NO

2(5H)-Pyridinone

c9000037

1422

C₅H₅NO

2-Pyridinol

c109104

1423

C₅H₅NO

3(2H)-Pyridinone

c9000004

1424

C₅H₅NO

3(4H)-Pyridinone

c9000026

1425

C₅H₅NO

3(6H)-Pyridinone

c9000015

1426

C₅H₅NO

3-Pyridinol

c109002

1427

C₅H₅NO

4(1H)-Pryidinone

c9000060

1428

C₅H₅NO

4(3H)-Pryidinone

c9000059

1429

C₅H₅NO

4-Pyridinol

c626642

1430

C₆H₅OH

phenol

1431

C₆H₆O

2,4-Cyclohexadienone

c24599573

1432

C₆H₆O

2,5-Cyclohexadienone

c5664335

1433

C₆H₅SH

Benzenethiol

phsh

1434

HO₂CCHNH₂CH₂OH

Serine

serine

1435

C₅H₈O₂

Acetylacetone

acac

1436

C₄H₈O₂S

Sulfolane

sulfolane

1437

C₇H₁₀

Norbornene

norbornene

1438

CH(C₂H₃)₃

trivinyl methane

tvm

1439

C₆H₁₀O

cyclohexanone

chexo

1440

C₆H₁₂O

hexanal

c6h12o

1441

C₃H₇OC₃H₇

di-n-propyl ether

propr

1442

CF₃COO^-

trifluoro acetate anion

cf3coo-

1443

CF₃COF

trifluoroacetyl fluoride

cf3cof

1444

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1445

PF₆

Hexafluorophosphate neutral

pf6

1446

PF₆^-

Hexafluorophosphate ion

pf6-

1447

SeF₆

Selenium hexafluoride

sef6

1448

SF₅Cl

sulfur chloropentafluoride

sf5cl

1449

CF₃CHF₂

pentafluoroethane

cf3chf2

1450

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1451

CF₃CHCl₂

1,1-Dichloro-2,2,2-trifluoroethane

cf3chcl2

1452

CHCl₂CClF₂

Ethane, 1,2,2-trichloro-1,1-difluoro-

chcl2cclf2

1453

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1454

C₆H₅F

Fluorobenzene

bzf

1455

C₆H₅Cl

chlorobenzene

bzcl

1456

C₆H₅Br

bromobenzene

bzbr

1457

C₈H₆

Calicene

calicene

1458

C₆H₅CCH

phenylacetylene

phac

1459

C₈H₆

benzocyclobutadiene

bcbd

1460

C₈H₆

Pentalene

pentalene

1461

C₆H₅CHCH₂

Styrene

styrene

1462

C₈H₈

cyclooctatetraene

cot

1463

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1464

CH₃C₆H₄CH₃

meta-xylene

mxylene

1465

CH₃C₆H₄CH₃

paraxylene

pxylene

1466

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1467

C₈H₁₆

cyclooctane

cyclooct

1468

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1469

C₈H₁₈

Octane

c8h18

1470

C₆H₅CN

phenyl cyanide

phcn

1471

C₆H₁₂N₂

Triethylenediamine

ted

1472

C₄O₄^--

squarate dianion

c4o4--

1473

S₈

Octasulfur

1474

C₆H₄O₂

parabenzoquinone

pbq

1475

C₄H₄N₂O₂

Uracil

uracil

1476

C₆H₅OCH₃

Anisole

anisole

1477

C₅H₉NO₂

Proline

proline

1478

C₆H₁₂O₂

Methyl pivalate

c598981

1479

C₆H₁₂O₂

Hexanoic acid

hexa

1480

C₄F₄

tetrafluorcyclobutadiene

c4f4

1481

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1482

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1483

CF₂ClCF₂Cl

1,2-Dichloro-1,1,2,2-tetrafluoroethane

cf2clcf2cl

1484

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1485

CF₂ClCFCl₂

Ethane, 1,1,2-trichloro-1,2,2-trifluoro-

cf2clcfcl2

1486

CF₃CCl₃

1,1,1-trifluoro-2,2,2-trichloroethane

cf3ccl3

1487

C₂F₆

hexafluoroethane

c2f6

1488

C₂Cl₆

hexachloroethane

c2cl6

1489

IF₇

Iodine heptafluoride

if7

1490

C₆H₄F₂

metadifluorobenzene

mdfb

1491

C₆H₄F₂

orthodifluorobenzene

odfb

1492

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1493

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1494

C₉H₈

Indene

indene

1495

C₉H₈

spiro[4.4]nona-1,3,6,8-tetraene

snt

1496

C₉H₁₂

n-propyl benzene

prbz

1497

C₉H₂₀

Nonane

nonane

1498

C(CN)₄

tetracyanomethane

c5n4

1499

C₅H₄N₄

purine

1500

C₈H₇N

Indole

indole

1501

C₃H₃N₃O₃

cyanuric acid

cyanuric

1502

C₆H₅NO₂

Nitrobenzene

c6h5no2

1503

C₆H₅COOH

benzoic acid

benzo

1504

CH₃COC₆H₅

acetophenone

acph

1505

C₃Cl₃N₃

1,3,5-Triazine, 2,4,6-trichloro-

c3cl3n3

1506

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1507

C₁₀H₈

Azulene

azu

1508

C₁₀H₈

naphthalene

naph

1509

C₁₀H₁₆

adamantane

1510

C₆N₄

Tetracyanoethylene

tcne

1511

C₆N₄^-

tetracyanoethylene anion

tcne-

1512

C₁₀H₂₂

Decane

decane

1513

C₄F₆

perfluorobutadiene

c4f6

1514

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1515

C₃F₈

perfluoropropane

c3f8

1516

Fe(CO)₅

Iron pentacarbonyl

ipc

1517

Fe(C₅H₅)₂

ferrocene

fecp2

1518

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1519

C₁₂H₈

Acenaphthylene

acenaph

1520

C₁₂H₈

biphenylene

biph

1521

C₁₂H₁₀

biphenyl

1522

C₁₂H₁₀

Heptalene

heptalene

1523

C₆H₁₂O₆

Inositol

inositol

1524

C₆F₆

hexafluorobenzene

c6f6

1525

S₂F₁₀

disulphur decafluoride

s2f10

1526

C₁₄H₁₀

Anthracene

anth

1527

C₁₄H₁₀

Phenanthrene

phenanthrene

1528

C₁₂H₁₀N₂

azobenzene

1529

C₆H₅COC₆H₅

benzophenone

1530

C₁₆H₁₀

Pyrene

pyrene

1531

C₁₈H₁₂

Tetracene

tetracene

1532

C₁₉H₁₆

Triphenylmethane

tpm

1533

C₂₄H₁₂

Coronene

coronene

1534

C₆₀

Buckminsterfullerene

c60

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
	Home All data for one species Geometry Experimental Experimental Geometries Same bond/angle many molecules Internal Coordinates by type Bond angles Calculated Calculated geometry Rotational constant Moments of inertia Products of moments of inertia BSE Bond lengths Show me a calculated geometry Comparisons Bonds, angles Rotational Constants Products of moments of inertia Point group Bad Calculations Bad moment of inertia Tutorials and Explanations Angle formulas Vibrations Experimental Vibrational frequencies Calculated Frequencies Scale factors Reactions Entropies Ions List Ions Energy Calculated Ionization Energy Compare Ionzation energy Electron Affinity Calculated Electron affinity Compare Electron affinity Proton Affinity Calculated Proton affinity Compare Proton affinity Ionization changes point group Experimental One molecule all properties One property a few molecules Enthalpy of formation Entropy Integrated Heat Capacity Heat Capacity Rotational Constants Vibrational Frequencies Dipole moment Ionization Energy Polarizability Quadrupole Point Groups Geometry Experimental Geometries Internal Coordinates by type Bond angles Rotational Constants Point Groups Diatomic bond lengths Vibrations Vibrational frequencies Diatomic Triatomics Energy Atomization Energy Internal Rotation Electrostatics Dipole Quadrupole Polarizability Reference Data Reference states Spin Splittings Molecules with good enthalpy Enthalpy at 0 Kelvin Calculated Energy Optimized Energy Energy 298K Minimum conformation Hydrogen bonds H bond with counterpoise Reaction Reaction Energy 0K Reaction Energy 298K Internal Rotation Barriers to internal rotation Rotational barrier and dipole Rotational Barrier 2 molecules Orbital HOMO LUMO gap HOMO Orbital Energies Nuclear repulsion energy Correlation Full vs Frozen core energies Partial correlation energies Ion Calculated Ionization Energy Vertical ionization Energy Calculated Electron affinity Calculated Proton affinity Atom charge differences Excited State Singlet triplet gap Electronic state Transition state Basis Set Extrapolation BSE energy BSE Bond lengths Geometry Calculated geometry AIM bond orders One type of bond Rotation Rotational constant Products of moments of inertia Moments of inertia Inertial defects Second moments Point group State symmetry <r2> Sorted by r2 Z-matrix Bad Calculations Bad moment of inertia Bad Calculated Bond Lengths Bad point group Worst molecules Vibrations Frequencies Animated vibrations Anharmonic Zero point energy (ZPE) Scale Factors Scale factors Scale factor uncertainty Calculate a scale factor Why scale vibrations Set scaling factors Bad Calculations Bad Vib. HF vs MP2 Bad vib. Calc. vs exp. Big anharmonicity Electrostatics Charges Mulliken CHELP Aim ESP Dipole Dipole Dipole angle Dipole calculation types Quadrupole Polarizability Spin Spin density Entropy and Heat Capacity Entropy Reaction entropy Heat Capacity Reaction Reaction Energy 0K Reaction Energy 298K Isodesmic reactions Transition State Transition state Transition state frequencies Transition state geometries IRC Lookup by property By frequency Comparisons Geometry Bonds, angles Bond, angle, or dihedral DFT grid size on point group DFT grid on bond length Core correlation - bond length Same bond/angle many molecules Isoelectronic diatomics Isoelectronic triatomic angles Average bond lengths Rotation Rotational Constants Products of moments of inertia Point group Vibrations Vibrations 2 calculations Frequency differences One frequency Zero point energy Intensity Intensity for one mode Vibrational intensities Reduced mass comparison Anharmonic Triatomic Scale factors Energy Reaction Reaction Energy 0K Reaction Energy 298K Atomization 0K Atomization 298K Single point vs optimized DFT grid size on energy Semiempirical enthalpy Internal rotation Similar molecules Conformation Sets of isomers Sets of tautomers Isomers Entropy Entropy Heat capacity Entropy of several molecules Integrated heat capacity Reaction entropy Electrostatics Dipole Polarizability Several molecules Quadrupole Ion Compare Ionzation energy Koopman ionization energy Koopman IE for a few molecules Compare Electron affinity Compare Proton affinity Protonation Site Resources Info on Results Calculations Done Method and basis set List molecules One molecule Multiple conformers, states Multiple conformers, states Basis functions used I/O files Input/output files MOL file Z-matrix wfn files Glossary Conversion Forms B to I, I to B Angle formulas Integrated heat Capacity Calculating Enthalpy Links NIST Links NIST webbook bibliographic data CCCBDB Experimental data External links Basis Set Exchange Computational Chemistry List Thermochemistry in Gaussian Minnesota Database Collection Benchmark Energy and Geometry Point Groups Thermochemistry Thermochemistry Molecules with good enthalpy A → B + C Reference states Tutorials Vibrations Why scale vibrations Zero-point energies Entropy Methyl rotor entropy Entropy and conformations Energy Getting enthalpy of formation Vertical vs adiabatic IE Thermo from calculations Electrostatics Dipole parts by point group Quadrupoles Geometry Angle formulas Cost Cost Comparison Timings Comparison Bad Calculations Geometry Bad moment of inertia Bad Calculated Bond Lengths Bad point group Worst molecules Vibrations Bad vib. Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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