CCCBDB List of Species with completed calculations

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List of which calculations are completed at B3PW91 /6-311+G(3df,2p)

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count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
3	He	Helium atom	¹S	K_h
4	He	Helium atom
5	He⁺	Helium atom cation	²S	K_h
6	HeH⁺	Helium hydride cation	¹Σ	C_∞v
7	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
8	Li	Lithium atom	²S	K_h
9	Li⁺	Lithium atom cation	¹S	K_h
10	Na	Sodium atom	²S	K_h
11	Na⁺	Sodium atom cation	¹S	K_h
12	K	Potassium atom	²S	K_h
13	Cu	Copper atom	²S	K_h
14	LiH	Lithium Hydride	¹Σ	C_∞v
15	KH	Potassium hydride	¹Σ	C_∞v
16	Be	Beryllium atom	¹S	K_h
17	Be⁺	Beryllium atom cation	²S	K_h
18	Mg	Magnesium atom	¹S	K_h
19	Mg⁺	Magnesium atom cation	²S	K_h
20	Zn	Zinc atom	¹S	K_h
21	MgH	magnesium monohydride	²Σ	C_∞v
22	ZnH⁺	Zinc, protonated
23	BeH₂⁺	Beryllium dihydride cation
24	CaH₂	Calcium Hydride	¹Σ_g	D_∞h
25	CaH₂	Calcium Hydride	¹A₁	C_2v
26	B	Boron atom	²P	K_h
27	B	Boron atom	⁴P	K_h
28	B⁺	Boron atom cation	¹S	K_h
29	Al	Aluminum atom	²P	K_h
30	Al^-	Aluminum atom anion	³P	K_h
31	Al⁺	Aluminum atom cation	¹S	K_h
32	Ga	Gallium atom	²P
33	Ga^-	Gallium atom anion	³P	O_h
34	Ga⁺	Gallium atom cation	¹S
35	GaH	Gallium monohydride	¹Σ	C_∞v
36	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
37	BH₃⁺	boron trihydride cation	²B₂	C_2v
38	BH₃⁺	boron trihydride cation		C_2v
39	AlH₃^-	aluminum trihydride anion		C_3v
40	BH₄^-	borohydride anion	¹A₁	T_d
41	C	Carbon atom	³P₀	K_h
42	C	Carbon atom	³P₁	K_h
43	C⁺	Carbon atom cation	²P	K_h
44	Si	Silicon atom	³P	K_h
45	Si	Silicon atom	¹S	K_h
46	Si^-	Silicon atom anion	⁴S	K_h
47	Si⁺	Silicon atom cation	²P	K_h
48	Ge	Germanium atom	³P	K_h
49	Ge^-	Germanium anion	⁴S	K_h
50	Ge⁺	Germanium cation	²P	K_h
51	CH	Methylidyne	²Π_1/2	C_∞v
52	SiH	Silylidyne	²Π	C_∞v
53	GeH	germylidene	²Π	C_∞v
54	CH₂^-	methylene anion	²B₁	C_2v
55	GeH₂	germylene	¹A₁	C_2v
56	CH₃	Methyl radical	²A₁	D_3h
57	SiH₃	Silyl radical	²A₁	C_3v
58	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
59	GeH₃	Germyl radical	²A₁	C_3v
60	GeH₃⁺	germyl cation	¹A₁^'	D_3h
61	CH₄	Methane	¹A₁	T_d
62	SiH₂D₂	silane-d2
63	SiH₄	Silane	¹A₁	T_d
64	GeH₄	Germane	¹A₁	T_d
65	SiH₅⁺	Silane, protonated
66	N	Nitrogen atom	⁴S	K_h
67	N	Nitrogen atom	²D	K_h
68	N⁺	Nitrogen atom cation	³P	K_h
69	P	Phosphorus atom	⁴S	K_h
70	V⁺	Vanadium atom cation	⁵D	K_h
71	As	Arsenic atomic	⁴S	K_h
72	As^-	Arsenic anion	³P	K_h
73	As⁺	Arsenic cation	³P	K_h
74	PH	phosphorus monohydride	³Σ^-	C_∞v
75	AsH	Arsenic monohydride	³Σ	C_∞v
76	NH₂	Amino radical	²B₁	C_2v
77	NH₂⁺	Amino cation	³B₁	C_2v
78	NH₂⁺	Amino cation	¹A₁	C_2v
79	NH₃	Ammonia	¹A₁	C_3v
80	PH₃	Phosphine	¹A₁	C_3v
81	PH₃⁺	Phosphine cation	²A₁	C_3v
82	AsH₃	Arsine	¹A₁	C_3v
83	AsH₃⁺	Arsine cation	²A₁	C_3v
84	AsH₄⁺	Arsonium
85	NH₄	Ammonium radical
86	PH₄	Phosphoranyl radical
87	O	Oxygen atom	³S	K_h
88	O⁺	Oxygen atom cation	⁴S	K_h
89	S	Sulfur atom	³P	K_h
90	S	Sulfur atom
91	Se	Selenium atom	³P	K_h
92	Se^-	Selenium atom anion	²P	K_h
93	Se⁺	Selenium atom cation	⁴S	K_h
94	OH	Hydroxyl radical	²Π	C_∞v
95	OH⁺	hydoxyl cation	³Σ	C_∞v
96	HS^-	mercapto anion	¹Σ	C_∞v
97	HS⁺	sulfur monohydride cation	³Σ	C_∞v
98	CrH	Chromium hydride	⁶Σ	C_∞v
99	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
100	HSe	Selenium monohydride	²Π	C_∞v
101	HSe^-	selenium monohydride anion	¹Σ	C_∞v
102	HSe⁺	selenium monohydride cation	³Σ	C_∞v
103	H₂O	Water	¹A₁	C_2v
104	H₂O^-	water anion	²A₁	C_2v
105	H₂O^-	water anion	²A^'	C_s
106	H₂O⁺	water cation	²B₁	C_2v
107	HDO	Water-d1	¹A₁	C_2v
108	H₂S	Hydrogen sulfide	¹A₁	C_2v
109	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
110	H₂Se	Hydrogen selenide	¹A₁	C_2v
111	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
112	H₃S⁺	Sulfonium cation	¹A₁	C_3v
113	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
114	F	Fluorine atom	²P	K_h
115	F⁺	Fluorine atom cation	³S	K_h
116	Cl	Chlorine atom	²P	K_h
117	Cl⁺	Chlorine atom cation	³P	K_h
118	Br	Bromine atom	²P	K_h
119	Br^-	Bromine atom anion	¹S	K_h
120	Br⁺	Bromine atom cation	³P	K_h
121	HF	Hydrogen fluoride	¹Σ	C_∞v
122	HF^-	hydrogen fluoride anion	²Σ	C_∞v
123	HF⁺	hydrogen fluoride cation	²Π	C_∞v
124	HCl	Hydrogen chloride	¹Σ	C_∞v
125	HCl^-	hydrogen chloride anion	²Σ	C_∞v
126	HCl⁺	hydrogen chloride cation	²Π	C_∞v
127	HBr	hydrogen bromide	¹Σ	C_∞v
128	HBr^-	hydrogen bromide anion	²Σ	C_∞v
129	HBr⁺	hydrogen bromide cation	²Π	C_∞v
130	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
131	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
132	Ne	Neon atom	¹S	K_h
133	Ne	Neon atom
134	Ne⁺	Neon atom cation	²P	K_h
135	Ar	Argon atom	¹S	K_h
136	Kr	Krypton atom	¹S	K_h
137	Kr⁺	Krypton cation	²P	K_h
138	HeLi⁺	Helium Lithium cation
139	ArH⁺	Argon hydride cation	¹Σ	C_∞v
140	KrH⁺	Protonated Krypton	¹Σ	C_∞v
141	NaLi	lithium sodium	¹Σ	C_∞v
142	Na₂	Sodium diatomic	¹Σ_g	D_∞h
143	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
144	LiAl	Lithium Aluminum
145	HBBH	Diborane(2)	³Σ_G	D_∞h
146	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
147	B₂H₆	Diborane	¹A_g	D_2h
148	B₂H₆⁺	Diborane cation
149	CaC	Calcium monocarbide
150	BSi	Boron silicide	⁴Σ	C_∞v
151	BSi	Boron silicide	²Σ	C_∞v
152	Si₂	Silicon diatomic	³Σ_g	D_∞h
153	GeC	Germanium monocarbide	¹Σ	C_∞v
154	SiGe	Silicon Germanium
155	C₂H^-	Ethynyl anion	¹Σ	C_∞v
156	C₂H₂	Acetylene	¹Σ_g	D_∞h
157	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
158	C₂H₂⁺	acetylene cation
159	H₂CC^-	vinylidene anion
160	HCCH^-	acetylene anion
161	HCCH^-	acetylene anion
162	Si₂H₂	disilyne
163	Si₂H₂	disilyne
164	Si₂H₂	disilyne
165	Si₂H₂	disilyne
166	CH₃Li	methyl lithium	¹A₁	C_3v
167	C₂H₃	vinyl	²A^'	C_s
168	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
169	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
170	C₂H₄	Ethylene	¹A_g	D_2h
171	C₂H₄⁺	Ethylene cation	²B₃	D₂
172	Si₂H₄	Disilene
173	Si₂H₄	Disilene
174	Si₂H₄	Disilene
175	C₂H₅	Ethyl radical	²A^'	C_s
176	C₂H₆	Ethane	¹A_1g	D_3d
177	Si₂H₆	disilane	¹E_u	D_3d
178	LiN	Lithium Nitride	³Σ	C_∞v
179	LiP	Lithium monophosphide
180	LiP	Lithium monophosphide
181	MgN	Magnesium Nitride
182	MgN	Magnesium Nitride
183	GaAs	Gallium arsenide	³Π
184	GaAs	Gallium arsenide	¹Σ
185	CN	Cyano radical	²Σ	C_∞v
186	SiP	Silicon monophosphide	²Π	C_∞v
187	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
188	N₂	Nitrogen diatomic
189	PN	Phosphorus mononitride	¹Σ	C_∞v
190	HCN	Hydrogen cyanide	¹Σ	C_∞v
191	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
192	HNC⁺	hydrogen isocyanide cation
193	HCP⁺	Phosphaethyne cation
194	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
195	LiNH₂	lithium amide
196	HBNH	Boranimine	¹Σ	C_∞v
197	H₂NN	Isodiazene
198	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
199	CH₂NH	Methanimine	¹A^'	C_s
200	CH₂NH⁺	Methanimine cation
201	CHNH₂	aminomethylene
202	CHNH₂⁺	Aminocarbene cation
203	BH₂NH₂	Boranamine
204	N₂H₄	Hydrazine	¹A	C₂
205	CH₃NH₂	methyl amine	¹A^'	C_s
206	SiH₃NH₂	Silane, amino
207	BH₃PH₃	borane phosphine
208	BH₃NH₃	borane ammonia	¹A₁	C_3v
209	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
210	N₂H₇⁺	ammonia ammonium dimer
211	LiSe	Lithium monoselenide
212	CaO	Calcium monoxide	¹Σ	C_∞v
213	CaS	Calcium sulfide	¹Σ	C_∞v
214	BO	boron monoxide	²Σ	C_∞v
215	GaO	Gallium monoxide	²Σ	C_∞v
216	GaS	Gallium monosulfide
217	CO	Carbon monoxide	¹Σ	C_∞v
218	CO^-	carbon monoxide anion	²Π	C_∞v
219	CO⁺	carbon monoxide cation	²Σ	C_∞v
220	SiO	Silicon monoxide	¹Σ	C_∞v
221	SiS	silicon monosulfide	¹Σ	C_∞v
222	CSe	Carbon monoselenide	¹Σ	C_∞v
223	GeO	Germanium monoxide	¹Σ	C_∞v
224	SiSe	Silicon Monoselenide
225	SiSe⁺	Silicon Monoselenide cation
226	GeSe	Germanium monoselenide
227	NO	Nitric oxide	²Π	C_∞v
228	NO^-	nitric oxide anion	³Σ	C_∞v
229	NO⁺	nitric oxide cation	¹Σ	C_∞v
230	PO	Phosphorus monoxide	²Π	C_∞v
231	PS	phosphorus sulfide	²Σ	C_∞v
232	NSe	Nitrogen monoselenide	²Π	C_∞v
233	AsS	Arsenic monosulfide	²Π	C_∞v
234	PSe	Phosphorus monoselenide	²Π	C_∞v
235	AsSe	Arsenic monoselenide	²Π	C_∞v
236	O₂	Oxygen diatomic	³Σ_g	D_∞h
237	O₂^--	dioxygen dianion
238	SO	Sulfur monoxide	³Σ	C_∞v
239	SO	Sulfur monoxide	¹Σ	C_∞v
240	SO⁺	sulfur monoxide cation	²Π	C_∞v
241	S₂	Sulfur diatomic	³Σ_g	D_∞h
242	SeO	Selenium monoxide	³Σ	C_∞v
243	Se₂	Selenium diatomic	³Σ_g	D_∞h
244	LiOH	lithium hydroxide	¹Σ	C_∞v
245	KOH	Potassium hydroxide	¹Σ	C_∞v
246	BeOH	beryllium monohydroxide	²A^'	C_s
247	HBO	Boron hydride oxide	¹Σ	C_∞v
248	HBS	hydrogen boron sulfide	¹Σ	C_∞v
249	COH	Hydroxymethylidyne
250	HCO	Formyl radical	²A^'	C_s
251	HCO^-	formyl anion	¹A^'	C_s
252	HCO⁺	Formyl cation	¹Σ	C_∞v
253	HNO	Nitrosyl hydride	¹A^'	C_s
254	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
255	HSO⁺	Sulfur Monoxide, S-protonated
256	SOH	Sulfur Hydroxide
257	SOH⁺	Sulfur Monoxide, protonated
258	H₂CO	Formaldehyde	¹A₁	C_2v
259	H₂CO^-	formaldehyde anion	²A^'	C_s
260	H₂CO^-	formaldehyde anion
261	H₂CO⁺	formaldehyde cation	²B₂	C_2v
262	H₂CS	Thioformaldehyde	¹A₁	C_2v
263	H₂CS^-	thioformaldehyde anion
264	H₂CS^-	thioformaldehyde anion
265	H₂CSe	Selenoformaldehyde
266	H₂O₂	Hydrogen peroxide	¹A	C₂
267	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
268	H₂OO	water oxide
269	HOSH	hydrogen thioperoxide
270	H₂Se₂	hydrogen diselenide
271	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
272	CH₃O^-	methoxy anion	¹A₁	C_3v
273	NH₂OH	hydroxylamine	¹A^'	C_s
274	NH₂OH⁺	Hydroxylamine cation
275	NH₂SH	Thiohydroxylamine
276	NH₂SH	Thiohydroxylamine
277	NH₃S	sulfidoazane
278	CH₃OH	Methyl alcohol	¹A^'	C_s
279	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
280	CH₃SH	Methanethiol	¹A^'	C_s
281	SiH₃OH	silanol
282	NH₂OH₂⁺	protonated hydroxylamine
283	NH₃OH⁺	N-protonated hydroxylamine
284	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
285	LiF	lithium fluoride	¹Σ	C_∞v
286	LiCl	lithium chloride	¹Σ	C_∞v
287	NaF⁺	sodium fluoride cation	²Σ	C_∞v
288	LiBr	Lithium Bromide	¹Σ	C_∞v
289	LiF⁺	lithium fluoride cation	²Π	C_∞v
290	CaBr	Calcium monobromide
291	BF	Boron monofluoride	¹Σ	C_∞v
292	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
293	GaF	Gallium monofluoride	¹Σ	C_∞v
294	AlBr	Aluminum monobromide
295	GaCl	Gallium monochloride	¹Σ_G	C_∞v
296	GaBr	Gallium monobromide
297	CF	Fluoromethylidyne	²Π	C_∞v
298	SiCl	Clorosilylidyne	²Π	C_∞v
299	CBr	Carbon monobromide	²Π	C_∞v
300	GeF	Germanium monofluoride	²Π	C_∞v
301	GeCl	Germanium monochloride	²Π	C_∞v
302	GeCl⁺	Germanium monochloride cation
303	SiBr	Silicon monobromide	²Π	C_∞v
304	SiBr⁺	Silicon monobromide cation
305	NCl	nitrogen monochloride	³Σ	C_∞v
306	PBr	Phosphorus monobromide
307	ClO	Monochlorine monoxide	²Π	C_∞v
308	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
309	SF	Monosulfur monofluoride	²Π	C_∞v
310	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
311	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
312	BrO	Bromine monoxide	²Π	C_∞v
313	BrO⁺	Bromine monoxide cation
314	SBr	Sulfur monobromide radical
315	SBr⁺	Sulfur monobromide cation
316	SeBr	Selenium monobromide
317	BrCl	Bromine monochloride	¹Σ	C_∞v
318	F₂	Fluorine diatomic	¹Σ_g	D_∞h
319	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
320	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
321	ClF⁺	clorine monofluoride cation	²Π	C_∞v
322	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
323	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
324	BrF	Bromine monofluoride	¹Σ	C_∞v
325	Br₂	Bromine diatomic	¹Σ_g	D_∞h
326	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
327	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
328	HCF	Fluoromethylene	¹A^'	C_s
329	HCF	Fluoromethylene	³A^"	C_s
330	HSiF	fluorosilylene
331	HSiCl	Chlorosilylene
332	HSiBr	monobromosilylene
333	HOF	Hypofluorous acid	¹A^'	C_s
334	HOCl	hypochlorous acid	¹A^'	C_s
335	HOCl⁺	hypochlorous acid cation
336	F₂H⁺	Fluorine, protonated	¹A^'	C_s
337	ClFH⁺	Chlorine fluoride, F-protonated
338	FClH⁺	Chlorine fluoride, Cl-protonated
339	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
340	CH₂Br	bromomethyl radical
341	CH₂F	fluoromethyl radical	²A	C_s
342	CH₂F⁺	fluoromethyl cation
343	CH₂Cl⁺	chloromethyl cation
344	CH₂Cl	chloromethyl radical	²A^'	C_s
345	CH₂Cl	chloromethyl radical	²B₁	C_2v
346	NH₂Cl	chloramine	¹A^'	C_s
347	CH₃F⁺	methyl fluoride cation
348	CH₃F	Methyl fluoride	¹A₁	C_3v
349	CH₃Cl	Methyl chloride	¹A₁	C_3v
350	CH₃Cl⁺	Methyl chloride cation
351	SiH₃F	monofluorosilane	¹A₁	C_3v
352	SiH₃Cl	chlorosilane	¹A₁	C₁
353	CH₃Br	methyl bromide	¹A₁	C_3v
354	GeH₃F	monofluorogermane
355	GeH₃Cl	monochlorogermane
356	NH₃Cl⁺	protonated monochloroammonia
357	CH₃ClH⁺	methyl chloride, protonated
358	NH₄Cl	Ammonium chloride
359	LiNe⁺	Lithium Neon cation
360	Ar₂	Argon diatomic	¹S_g	D_∞h
361	C₃	carbon trimer	¹Σ_g	D_∞h
362	C₃	carbon trimer	¹A₁	C_2v
363	SiC₂	Silicon dicarbide
364	C₃H₄	cyclopropene	¹A₁	C_2v
365	CH₂CCH₂	allene	¹A₁	D_2d
366	CH₃CCH	propyne	¹A^'	C_3v
367	C₃H₅	Allyl radical	²A₂	C_2v
368	C₃H₆	Cyclopropane	¹A₁^'	D_3h
369	CH₂CHCH₃	Propene	¹A^'	C_s
370	C₃H₇	n-Propyl radical	²A^"	C₁
371	CH₃CHCH₃	Isopropyl radical	²A	C₂
372	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
373	C₃H₈	Propane	¹A₁	C_2v
374	Si₃H₈	trisilane
375	LiCN	lithium cyanide	¹Σ	C*V LiCN
376	KCN	Potassium cyanide	¹Σ	C_∞v
377	KCN	Potassium cyanide	¹Σ	C_∞v
378	KCN	Potassium cyanide	¹A^'	C_s
379	ZnCN	Zinc monocyanide	²Σ	C_∞v
380	ZnNC	Zinc isocyanide	²Σ	C_∞v
381	AlCN	Aluminum monocyanide
382	AlNC	Aluminum isocyanide
383	CNN	Diazocarbene
384	N₃	azide radical	²Π_g	D_∞h
385	HN₃	hydrogen azide	¹A^'	C_s
386	HN₃⁺	Hydrazoic acid cation
387	HNCNH	diiminomethane	¹A	C₂
388	HNNNH⁺	1,2-Triazadienium
389	NH₂NN⁺	hydrazoic acid, protonated
390	CH₃CN	Acetonitrile	¹A₁	C_3v
391	CH₃CN^-	acetonitrile anion	²E	C_3v
392	CH₃CN^-	acetonitrile anion	²A^'	C_s
393	CHNCH₂	2H-Azirine
394	CHNHCH	1H-Azirine
395	H₂CCNH	Ethenimine
396	H₂CNCH	methyleneaminomethylene
397	HCCNH₂	Ethynamine
398	HCNCH₂⁺	2H-Azirine cation
399	NH₂CNH⁺	cyanamide, cn protonated
400	NH₃CN⁺	cyanamide, amine protonated
401	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
402	CH₃CH₂NH₂	Ethylamine
403	Li₂O	dilithium oxide	¹Σ_g	D_∞h
404	Na₂O	disodium monoxide	¹Σ_g	Linear
405	Na₂O	disodium monoxide	¹A₁	C_2v
406	Na₂S	Sodium sulfide
407	Na₂S	Sodium sulfide
408	LiO₂	Lithium dioxide
409	NaO₂	Sodium superoxide
410	NCO	isocyanato radical	²Π	C_∞v
411	N₂O	Nitrous oxide	¹Σ	C_∞v
412	CO₂	Carbon dioxide	¹Σ_g	D_∞h
413	OCS	Carbonyl sulfide	¹Σ	C_∞v
414	CS₂	Carbon disulfide	¹Σ_g	D_∞h
415	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
416	OCSe	Carbonyl selenide	¹Σ	C_∞v
417	SCSe	Carbon sulfide selenide
418	NO₂	Nitrogen dioxide	²A₁	C_2v
419	NSO	sulfinyl amidogen
420	SNO	Nitrogen oxide sulfide
421	SO₂	Sulfur dioxide	¹A₁	C_2v
422	SSO	Disulfur monoxide	¹A^'	C_s
423	S₃	Sulfur trimer	¹A₁	C_2v
424	S₃	Sulfur trimer
425	SeO₂	Selenium dioxide	¹A₁	C_2v
426	HCCO	ketenyl radical	²Π	C_∞v
427	HCCO	ketenyl radical	²A^"	C_s
428	HCNO	fulminic acid	¹Σ	C_∞v
429	HNCS	Isothiocyanic acid
430	HSCN	thiocyanic acid	¹A^'	C_s
431	HOCO	Hydrocarboxyl radical	¹A^'	cis
432	HOCO	Hydrocarboxyl radical	¹A^'	trans
433	O₃H⁺	protonated ozone	¹A^'	C_s
434	O₃H⁺	protonated ozone
435	C₂H₂O	Oxirene	¹A₁	C_2v
436	CH₂CO	Ketene	¹A₁	C_2v
437	CH₂CS	Thioketene
438	Be(OH)₂	Beryllium hydroxide
439	Be(OH)₂	Beryllium hydroxide
440	H₂COO	Dioxymethyl radical	²A^'	C_s
441	H₂COO⁺	dioxymethyl cation	²A^'	C_s
442	HCOOH	Formic acid	¹A^'	C_s
443	HCOOH	Formic acid
444	BH₃CO	Borane carbonyl	¹A₁	C_3v
445	CH₂COH⁺	ketene, protonated
446	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
447	CHSNH₂	thioformamide
448	NHCHSH	Methanimidothioic acid
449	C₂H₄O	Ethylene oxide	¹A₁	C_2v
450	C₂H₄O⁺	ethylene oxide cation
451	CH₃CHO	Acetaldehyde	¹A^'	C_s
452	CH₃CHO⁺	acetaldehyde cation
453	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
454	C₂H₄S	Thiirane	¹A₁	C_2v
455	CH₂CHSH	Ethenethiol
456	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
457	NH₂CHOH⁺	Formamide, O-protonated
458	CH₃SSH	Hydrogen methyl disulfide
459	HSCH₂SH	Methanedithiol
460	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
461	NH₂CH₂OH	aminomethanol
462	CH₃CH₂OH	Ethanol	¹A^'	C_s
463	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
464	CH₃CH₂SH	ethanethiol	¹A^'	C_s
465	CH₃CH₂SH	ethanethiol	¹A	C₁
466	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
467	CH₃SCH₃⁺	dimethyl sulfide cation
468	CNF	iso cyanogen fluoride	¹Σ	C_∞v
469	BrCN	Cyanogen bromide	¹Σ	C_∞v
470	FBO	Boron monofluoride monoxide
471	BeBr₂	Beryllium bromide
472	CaBr₂	Calcium dibromide
473	BF₂	Boron difluoride radical	²A₁	C_2v
474	FNO	Nitrosyl fluoride	¹A^'	C_s
475	ClNO	Nitrosyl chloride	¹A^'	C_s
476	FSN	Thiazyl fluoride	¹A^'	C_s
477	OPCl	Phosphorus oxychloride
478	CF₂	Difluoromethylene	¹A₁	D_∞h
479	CFCl	chlorofluoromethylene	¹A^'	C_s
480	SiF₂	Silicon difluoride	¹A₁	C_2v
481	GeCl₂	Germanium dichloride	¹A₁	C_2v
482	CBr₂	dibromomethylene	¹A₁	C_2v
483	CBr₂	dibromomethylene	³B₁	C_2v
484	FOO⁺	Fluorine dioxide cation
485	OClO	Chlorine dioxide	²B₁	D_∞h
486	OClO^-	Chlorine dioxide anion	¹A^'	C_s
487	BrOO	Bromine dioxide
488	PF₂	Phosphorus difluoride
489	PF₂⁺	Phosphorus difluoride cation
490	FClO	chlorosyl fluoride	¹A^'	C_s
491	ClOF	Chlorine hypofluorite	¹A^'	C_s
492	SF₂	sulfur difluoride	¹A₁	C_2v
493	SeF₂	Selenium difluoride
494	SeCl₂	Selenium Dichloride
495	SBr₂	Sulfur dibromide
496	SeBr₂	Selenium dibromide
497	Br₃^-	tribromide anion
498	SFCl	Sulfur chloride fluoride
499	HCCF	Fluoroacetylene	¹Σ	C_∞v
500	HCCBr	bromoacetylene	¹Σ	C_∞v

count

Species

Name

State

Conformation

Hydrogen atom

¹S

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

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

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

Nitrogen atom

²D

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

CrH

Chromium hydride

⁶Σ

C_∞v

CrH⁺

Chromium hydride cation

⁵Σ

C_∞v

100

HSe

Selenium monohydride

²Π

C_∞v

101

HSe^-

selenium monohydride anion

¹Σ

C_∞v

102

HSe⁺

selenium monohydride cation

³Σ

C_∞v

103

H₂O

Water

¹A₁

C_2v

104

H₂O^-

water anion

²A₁

C_2v

105

H₂O^-

water anion

²A^'

C_s

106

H₂O⁺

water cation

²B₁

C_2v

107

HDO

Water-d1

¹A₁

C_2v

108

H₂S

Hydrogen sulfide

¹A₁

C_2v

109

H₂S⁺

Hydrogen sulfide cation

²B₁

C_2v

110

H₂Se

Hydrogen selenide

¹A₁

C_2v

111

H₂Se⁺

Hydrogen selenide cation

²B₁

C_2v

112

H₃S⁺

Sulfonium cation

¹A₁

C_3v

113

H₃Se⁺

Hydrogen Selenide, protonated

¹A₁

C_3v

114

Fluorine atom

²P

K_h

115

F⁺

Fluorine atom cation

³S

K_h

116

Chlorine atom

²P

K_h

117

Cl⁺

Chlorine atom cation

³P

K_h

118

Bromine atom

²P

K_h

119

Br^-

Bromine atom anion

¹S

K_h

120

Br⁺

Bromine atom cation

³P

K_h

121

Hydrogen fluoride

¹Σ

C_∞v

122

HF^-

hydrogen fluoride anion

²Σ

C_∞v

123

HF⁺

hydrogen fluoride cation

²Π

C_∞v

124

HCl

Hydrogen chloride

¹Σ

C_∞v

125

HCl^-

hydrogen chloride anion

²Σ

C_∞v

126

HCl⁺

hydrogen chloride cation

²Π

C_∞v

127

HBr

hydrogen bromide

¹Σ

C_∞v

128

HBr^-

hydrogen bromide anion

²Σ

C_∞v

129

HBr⁺

hydrogen bromide cation

²Π

C_∞v

130

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

131

H₂Br⁺

protonated hydrogen bromide

²A₁

C_2v

132

Neon atom

¹S

K_h

133

Neon atom

134

Ne⁺

Neon atom cation

²P

K_h

135

Argon atom

¹S

K_h

136

Krypton atom

¹S

K_h

137

Kr⁺

Krypton cation

²P

K_h

138

HeLi⁺

Helium Lithium cation

139

ArH⁺

Argon hydride cation

¹Σ

C_∞v

140

KrH⁺

Protonated Krypton

¹Σ

C_∞v

141

NaLi

lithium sodium

¹Σ

C_∞v

142

Na₂

Sodium diatomic

¹Σ_g

D_∞h

143

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

144

LiAl

Lithium Aluminum

145

HBBH

Diborane(2)

³Σ_G

D_∞h

146

B₂H₄

Diborane(4) D2d

¹A₁

D_2d

147

B₂H₆

Diborane

¹A_g

D_2h

148

B₂H₆⁺

Diborane cation

149

CaC

Calcium monocarbide

150

BSi

Boron silicide

⁴Σ

C_∞v

151

BSi

Boron silicide

²Σ

C_∞v

152

Si₂

Silicon diatomic

³Σ_g

D_∞h

153

GeC

Germanium monocarbide

¹Σ

C_∞v

154

SiGe

Silicon Germanium

155

C₂H^-

Ethynyl anion

¹Σ

C_∞v

156

C₂H₂

Acetylene

¹Σ_g

D_∞h

157

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

158

C₂H₂⁺

acetylene cation

159

H₂CC^-

vinylidene anion

160

HCCH^-

acetylene anion

161

HCCH^-

acetylene anion

162

Si₂H₂

disilyne

163

Si₂H₂

disilyne

164

Si₂H₂

disilyne

165

Si₂H₂

disilyne

166

CH₃Li

methyl lithium

¹A₁

C_3v

167

C₂H₃

vinyl

²A^'

C_s

168

C₂H₃⁺

vinyl cation

¹A₁

C2V bridging H

169

C₂H₃⁺

vinyl cation

¹A₁

C2V HCCH2

170

C₂H₄

Ethylene

¹A_g

D_2h

171

C₂H₄⁺

Ethylene cation

²B₃

D₂

172

Si₂H₄

Disilene

173

Si₂H₄

Disilene

174

Si₂H₄

Disilene

175

C₂H₅

Ethyl radical

²A^'

C_s

176

C₂H₆

Ethane

¹A_1g

D_3d

177

Si₂H₆

disilane

¹E_u

D_3d

178

LiN

Lithium Nitride

³Σ

C_∞v

179

LiP

Lithium monophosphide

180

LiP

Lithium monophosphide

181

MgN

Magnesium Nitride

182

MgN

Magnesium Nitride

183

GaAs

Gallium arsenide

³Π

184

GaAs

Gallium arsenide

¹Σ

185

Cyano radical

²Σ

C_∞v

186

SiP

Silicon monophosphide

²Π

C_∞v

187

N₂

Nitrogen diatomic

¹Σ_g

D_∞h

188

N₂

Nitrogen diatomic

189

Phosphorus mononitride

¹Σ

C_∞v

190

HCN

Hydrogen cyanide

¹Σ

C_∞v

191

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

192

HNC⁺

hydrogen isocyanide cation

193

HCP⁺

Phosphaethyne cation

194

NNH⁺

Dinitrogen monohydride cation

¹Σ

C_∞v

195

LiNH₂

lithium amide

196

HBNH

Boranimine

¹Σ

C_∞v

197

H₂NN

Isodiazene

198

N₂H₂⁺

trans-diazene cation

²A_G

C_2h

199

CH₂NH

Methanimine

¹A^'

C_s

200

CH₂NH⁺

Methanimine cation

201

CHNH₂

aminomethylene

202

CHNH₂⁺

Aminocarbene cation

203

BH₂NH₂

Boranamine

204

N₂H₄

Hydrazine

¹A

C₂

205

CH₃NH₂

methyl amine

¹A^'

C_s

206

SiH₃NH₂

Silane, amino

207

BH₃PH₃

borane phosphine

208

BH₃NH₃

borane ammonia

¹A₁

C_3v

209

CH₃NH₃

methyl ammonium radical

²A₁

C_3v

210

N₂H₇⁺

ammonia ammonium dimer

211

LiSe

Lithium monoselenide

212

CaO

Calcium monoxide

¹Σ

C_∞v

213

CaS

Calcium sulfide

¹Σ

C_∞v

214

boron monoxide

²Σ

C_∞v

215

GaO

Gallium monoxide

²Σ

C_∞v

216

GaS

Gallium monosulfide

217

Carbon monoxide

¹Σ

C_∞v

218

CO^-

carbon monoxide anion

²Π

C_∞v

219

CO⁺

carbon monoxide cation

²Σ

C_∞v

220

SiO

Silicon monoxide

¹Σ

C_∞v

221

SiS

silicon monosulfide

¹Σ

C_∞v

222

CSe

Carbon monoselenide

¹Σ

C_∞v

223

GeO

Germanium monoxide

¹Σ

C_∞v

224

SiSe

Silicon Monoselenide

225

SiSe⁺

Silicon Monoselenide cation

226

GeSe

Germanium monoselenide

227

Nitric oxide

²Π

C_∞v

228

NO^-

nitric oxide anion

³Σ

C_∞v

229

NO⁺

nitric oxide cation

¹Σ

C_∞v

230

Phosphorus monoxide

²Π

C_∞v

231

phosphorus sulfide

²Σ

C_∞v

232

NSe

Nitrogen monoselenide

²Π

C_∞v

233

AsS

Arsenic monosulfide

²Π

C_∞v

234

PSe

Phosphorus monoselenide

²Π

C_∞v

235

AsSe

Arsenic monoselenide

²Π

C_∞v

236

O₂

Oxygen diatomic

³Σ_g

D_∞h

237

O₂^--

dioxygen dianion

238

Sulfur monoxide

³Σ

C_∞v

239

Sulfur monoxide

¹Σ

C_∞v

240

SO⁺

sulfur monoxide cation

²Π

C_∞v

241

S₂

Sulfur diatomic

³Σ_g

D_∞h

242

SeO

Selenium monoxide

³Σ

C_∞v

243

Se₂

Selenium diatomic

³Σ_g

D_∞h

244

LiOH

lithium hydroxide

¹Σ

C_∞v

245

KOH

Potassium hydroxide

¹Σ

C_∞v

246

BeOH

beryllium monohydroxide

²A^'

C_s

247

HBO

Boron hydride oxide

¹Σ

C_∞v

248

HBS

hydrogen boron sulfide

¹Σ

C_∞v

249

COH

Hydroxymethylidyne

250

HCO

Formyl radical

²A^'

C_s

251

HCO^-

formyl anion

¹A^'

C_s

252

HCO⁺

Formyl cation

¹Σ

C_∞v

253

HNO

Nitrosyl hydride

¹A^'

C_s

254

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

255

HSO⁺

Sulfur Monoxide, S-protonated

256

SOH

Sulfur Hydroxide

257

SOH⁺

Sulfur Monoxide, protonated

258

H₂CO

Formaldehyde

¹A₁

C_2v

259

H₂CO^-

formaldehyde anion

²A^'

C_s

260

H₂CO^-

formaldehyde anion

261

H₂CO⁺

formaldehyde cation

²B₂

C_2v

262

H₂CS

Thioformaldehyde

¹A₁

C_2v

263

H₂CS^-

thioformaldehyde anion

264

H₂CS^-

thioformaldehyde anion

265

H₂CSe

Selenoformaldehyde

266

H₂O₂

Hydrogen peroxide

¹A

C₂

267

H₂O₂

Hydrogen peroxide

¹A_g

C_2h

268

H₂OO

water oxide

269

HOSH

hydrogen thioperoxide

270

H₂Se₂

hydrogen diselenide

271

CH₂OH⁺

hydroxymethyl cation

¹A^'

C_s

272

CH₃O^-

methoxy anion

¹A₁

C_3v

273

NH₂OH

hydroxylamine

¹A^'

C_s

274

NH₂OH⁺

Hydroxylamine cation

275

NH₂SH

Thiohydroxylamine

276

NH₂SH

Thiohydroxylamine

277

NH₃S

sulfidoazane

278

CH₃OH

Methyl alcohol

¹A^'

C_s

279

CH₃OH⁺

Methyl alcohol cation

²A^"

C_s

280

CH₃SH

Methanethiol

¹A^'

C_s

281

SiH₃OH

silanol

282

NH₂OH₂⁺

protonated hydroxylamine

283

NH₃OH⁺

N-protonated hydroxylamine

284

H₅O₂⁺

Dihydroxonium ion

¹A

C₂

285

LiF

lithium fluoride

¹Σ

C_∞v

286

LiCl

lithium chloride

¹Σ

C_∞v

287

NaF⁺

sodium fluoride cation

²Σ

C_∞v

288

LiBr

Lithium Bromide

¹Σ

C_∞v

289

LiF⁺

lithium fluoride cation

²Π

C_∞v

290

CaBr

Calcium monobromide

291

Boron monofluoride

¹Σ

C_∞v

292

AlF

Aluminum monofluoride

¹Σ⁺

C_∞v

293

GaF

Gallium monofluoride

¹Σ

C_∞v

294

AlBr

Aluminum monobromide

295

GaCl

Gallium monochloride

¹Σ_G

C_∞v

296

GaBr

Gallium monobromide

297

Fluoromethylidyne

²Π

C_∞v

298

SiCl

Clorosilylidyne

²Π

C_∞v

299

CBr

Carbon monobromide

²Π

C_∞v

300

GeF

Germanium monofluoride

²Π

C_∞v

301

GeCl

Germanium monochloride

²Π

C_∞v

302

GeCl⁺

Germanium monochloride cation

303

SiBr

Silicon monobromide

²Π

C_∞v

304

SiBr⁺

Silicon monobromide cation

305

NCl

nitrogen monochloride

³Σ

C_∞v

306

PBr

Phosphorus monobromide

307

ClO

Monochlorine monoxide

²Π

C_∞v

308

ClO⁺

chlorine monoxide cation

³Σ

C_∞v

309

Monosulfur monofluoride

²Π

C_∞v

310

SF⁺

sulfur monofluoride cation

³Σ

C_∞v

311

SCl⁺

sulfur monochloride cation

³Σ_g

C_∞v

312

BrO

Bromine monoxide

²Π

C_∞v

313

BrO⁺

Bromine monoxide cation

314

SBr

Sulfur monobromide radical

315

SBr⁺

Sulfur monobromide cation

316

SeBr

Selenium monobromide

317

BrCl

Bromine monochloride

¹Σ

C_∞v

318

F₂

Fluorine diatomic

¹Σ_g

D_∞h

319

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

320

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

321

ClF⁺

clorine monofluoride cation

²Π

C_∞v

322

Cl₂

Chlorine diatomic

¹Σ_g

D_∞h

323

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

324

BrF

Bromine monofluoride

¹Σ

C_∞v

325

Br₂

Bromine diatomic

¹Σ_g

D_∞h

326

Br₂^-

bromine diatomic anion

²Σ_u

D_∞h

327

Br₂⁺

bromine diatomic cation

²Π_g

D_∞h

328

HCF

Fluoromethylene

¹A^'

C_s

329

HCF

Fluoromethylene

³A^"

C_s

330

HSiF

fluorosilylene

331

HSiCl

Chlorosilylene

332

HSiBr

monobromosilylene

333

HOF

Hypofluorous acid

¹A^'

C_s

334

HOCl

hypochlorous acid

¹A^'

C_s

335

HOCl⁺

hypochlorous acid cation

336

F₂H⁺

Fluorine, protonated

¹A^'

C_s

337

ClFH⁺

Chlorine fluoride, F-protonated

338

FClH⁺

Chlorine fluoride, Cl-protonated

339

Cl₂H⁺

Chlorine, protonated

¹A^'

C_s

340

CH₂Br

bromomethyl radical

341

CH₂F

fluoromethyl radical

²A

C_s

342

CH₂F⁺

fluoromethyl cation

343

CH₂Cl⁺

chloromethyl cation

344

CH₂Cl

chloromethyl radical

²A^'

C_s

345

CH₂Cl

chloromethyl radical

²B₁

C_2v

346

NH₂Cl

chloramine

¹A^'

C_s

347

CH₃F⁺

methyl fluoride cation

348

CH₃F

Methyl fluoride

¹A₁

C_3v

349

CH₃Cl

Methyl chloride

¹A₁

C_3v

350

CH₃Cl⁺

Methyl chloride cation

351

SiH₃F

monofluorosilane

¹A₁

C_3v

352

SiH₃Cl

chlorosilane

¹A₁

C₁

353

CH₃Br

methyl bromide

¹A₁

C_3v

354

GeH₃F

monofluorogermane

355

GeH₃Cl

monochlorogermane

356

NH₃Cl⁺

protonated monochloroammonia

357

CH₃ClH⁺

methyl chloride, protonated

358

NH₄Cl

Ammonium chloride

359

LiNe⁺

Lithium Neon cation

360

Ar₂

Argon diatomic

¹S_g

D_∞h

361

C₃

carbon trimer

¹Σ_g

D_∞h

362

C₃

carbon trimer

¹A₁

C_2v

363

SiC₂

Silicon dicarbide

364

C₃H₄

cyclopropene

¹A₁

C_2v

365

CH₂CCH₂

allene

¹A₁

D_2d

366

CH₃CCH

propyne

¹A^'

C_3v

367

C₃H₅

Allyl radical

²A₂

C_2v

368

C₃H₆

Cyclopropane

¹A₁^'

D_3h

369

CH₂CHCH₃

Propene

¹A^'

C_s

370

C₃H₇

n-Propyl radical

²A^"

C₁

371

CH₃CHCH₃

Isopropyl radical

²A

C₂

372

CH₃CHCH₃⁺

Isopropyl cation

¹A

C₂

373

C₃H₈

Propane

¹A₁

C_2v

374

Si₃H₈

trisilane

375

LiCN

lithium cyanide

¹Σ

C*V LiCN

376

KCN

Potassium cyanide

¹Σ

C_∞v

377

KCN

Potassium cyanide

¹Σ

C_∞v

378

KCN

Potassium cyanide

¹A^'

C_s

379

ZnCN

Zinc monocyanide

²Σ

C_∞v

380

ZnNC

Zinc isocyanide

²Σ

C_∞v

381

AlCN

Aluminum monocyanide

382

AlNC

Aluminum isocyanide

383

CNN

Diazocarbene

384

N₃

azide radical

²Π_g

D_∞h

385

HN₃

hydrogen azide

¹A^'

C_s

386

HN₃⁺

Hydrazoic acid cation

387

HNCNH

diiminomethane

¹A

C₂

388

HNNNH⁺

1,2-Triazadienium

389

NH₂NN⁺

hydrazoic acid, protonated

390

CH₃CN

Acetonitrile

¹A₁

C_3v

391

CH₃CN^-

acetonitrile anion

²E

C_3v

392

CH₃CN^-

acetonitrile anion

²A^'

C_s

393

CHNCH₂

2H-Azirine

394

CHNHCH

1H-Azirine

395

H₂CCNH

Ethenimine

396

H₂CNCH

methyleneaminomethylene

397

HCCNH₂

Ethynamine

398

HCNCH₂⁺

2H-Azirine cation

399

NH₂CNH⁺

cyanamide, cn protonated

400

NH₃CN⁺

cyanamide, amine protonated

401

C₂H₆N⁺

aziridine, protonated

¹A₁

C_2v

402

CH₃CH₂NH₂

Ethylamine

403

Li₂O

dilithium oxide

¹Σ_g

D_∞h

404

Na₂O

disodium monoxide

¹Σ_g

Linear

405

Na₂O

disodium monoxide

¹A₁

C_2v

406

Na₂S

Sodium sulfide

407

Na₂S

Sodium sulfide

408

LiO₂

Lithium dioxide

409

NaO₂

Sodium superoxide

410

NCO

isocyanato radical

²Π

C_∞v

411

N₂O

Nitrous oxide

¹Σ

C_∞v

412

CO₂

Carbon dioxide

¹Σ_g

D_∞h

413

OCS

Carbonyl sulfide

¹Σ

C_∞v

414

CS₂

Carbon disulfide

¹Σ_g

D_∞h

415

GeO₂

Germanium dioxide

¹Σ_g

D_∞h

416

OCSe

Carbonyl selenide

¹Σ

C_∞v

417

SCSe

Carbon sulfide selenide

418

NO₂

Nitrogen dioxide

²A₁

C_2v

419

NSO

sulfinyl amidogen

420

SNO

Nitrogen oxide sulfide

421

SO₂

Sulfur dioxide

¹A₁

C_2v

422

SSO

Disulfur monoxide

¹A^'

C_s

423

S₃

Sulfur trimer

¹A₁

C_2v

424

S₃

Sulfur trimer

425

SeO₂

Selenium dioxide

¹A₁

C_2v

426

HCCO

ketenyl radical

²Π

C_∞v

427

HCCO

ketenyl radical

²A^"

C_s

428

HCNO

fulminic acid

¹Σ

C_∞v

429

HNCS

Isothiocyanic acid

430

HSCN

thiocyanic acid

¹A^'

C_s

431

HOCO

Hydrocarboxyl radical

¹A^'

cis

432

HOCO

Hydrocarboxyl radical

¹A^'

trans

433

O₃H⁺

protonated ozone

¹A^'

C_s

434

O₃H⁺

protonated ozone

435

C₂H₂O

Oxirene

¹A₁

C_2v

436

CH₂CO

Ketene

¹A₁

C_2v

437

CH₂CS

Thioketene

438

Be(OH)₂

Beryllium hydroxide

439

Be(OH)₂

Beryllium hydroxide

440

H₂COO

Dioxymethyl radical

²A^'

C_s

441

H₂COO⁺

dioxymethyl cation

²A^'

C_s

442

HCOOH

Formic acid

¹A^'

C_s

443

HCOOH

Formic acid

444

BH₃CO

Borane carbonyl

¹A₁

C_3v

445

CH₂COH⁺

ketene, protonated

446

HOCHNH

hydroxymethylimine

¹A^'

CS H all up

447

CHSNH₂

thioformamide

448

NHCHSH

Methanimidothioic acid

449

C₂H₄O

Ethylene oxide

¹A₁

C_2v

450

C₂H₄O⁺

ethylene oxide cation

451

CH₃CHO

Acetaldehyde

¹A^'

C_s

452

CH₃CHO⁺

acetaldehyde cation

453

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

454

C₂H₄S

Thiirane

¹A₁

C_2v

455

CH₂CHSH

Ethenethiol

456

CH₃CHS

Thioacetaldehyde

¹A^'

C₁

457

NH₂CHOH⁺

Formamide, O-protonated

458

CH₃SSH

Hydrogen methyl disulfide

459

HSCH₂SH

Methanedithiol

460

C₂H₄OH⁺

ethylene oxide, protonated

¹A^'

C_s

461

NH₂CH₂OH

aminomethanol

462

CH₃CH₂OH

Ethanol

¹A^'

C_s

463

CH₃OCH₃

Dimethyl ether

¹A₁

C_2v

464

CH₃CH₂SH

ethanethiol

¹A^'

C_s

465

CH₃CH₂SH

ethanethiol

¹A

C₁

466

CH₃SCH₃

Dimethyl sulfide

¹A₁

C_2v

467

CH₃SCH₃⁺

dimethyl sulfide cation

468

CNF

iso cyanogen fluoride

¹Σ

C_∞v

469

BrCN

Cyanogen bromide

¹Σ

C_∞v

470

FBO

Boron monofluoride monoxide

471

BeBr₂

Beryllium bromide

472

CaBr₂

Calcium dibromide

473

BF₂

Boron difluoride radical

²A₁

C_2v

474

FNO

Nitrosyl fluoride

¹A^'

C_s

475

ClNO

Nitrosyl chloride

¹A^'

C_s

476

FSN

Thiazyl fluoride

¹A^'

C_s

477

OPCl

Phosphorus oxychloride

478

CF₂

Difluoromethylene

¹A₁

D_∞h

479

CFCl

chlorofluoromethylene

¹A^'

C_s

480

SiF₂

Silicon difluoride

¹A₁

C_2v

481

GeCl₂

Germanium dichloride

¹A₁

C_2v

482

CBr₂

dibromomethylene

¹A₁

C_2v

483

CBr₂

dibromomethylene

³B₁

C_2v

484

FOO⁺

Fluorine dioxide cation

485

OClO

Chlorine dioxide

²B₁

D_∞h

486

OClO^-

Chlorine dioxide anion

¹A^'

C_s

487

BrOO

Bromine dioxide

488

PF₂

Phosphorus difluoride

489

PF₂⁺

Phosphorus difluoride cation

490

FClO

chlorosyl fluoride

¹A^'

C_s

491

ClOF

Chlorine hypofluorite

¹A^'

C_s

492

SF₂

sulfur difluoride

¹A₁

C_2v

493

SeF₂

Selenium difluoride

494

SeCl₂

Selenium Dichloride

495

SBr₂

Sulfur dibromide

496

SeBr₂

Selenium dibromide

497

Br₃^-

tribromide anion

498

SFCl

Sulfur chloride fluoride

499

HCCF

Fluoroacetylene

¹Σ

C_∞v

500

HCCBr

bromoacetylene

¹Σ

C_∞v

501

CHF₂

difluoromethyl radical

²A

C_s

502

CHF₂⁺

difluoromethyl cation

503

CHFCl

Chlorofluoromethyl radical

504

CHFCl⁺

Chlorofluoromethyl cation

505

CHCl₂⁺

dichloromethyl cation

506

CHBr₂

dibromomethyl radical

507

NHF₂

difluoramine

508

NHCl₂

dichloroamine

509

CH₂F₂

Methane, difluoro-

¹A₁

C_2v

510

SiH₂F₂

difluorosilane

511

CH₂Cl₂

Methylene chloride

¹A₁

C_2v

512

CH₂BrCl

Methane, bromochloro-

¹A^'

C_s

513

CH₂Br₂

dibromomethane

¹A₁

C_2v

514

CH₃MgBr

Methyl Magnesium Bromide

515

CH₂CHF

Ethene, fluoro-

¹A^'

C_s

516

CH₂FOH

fluoromethanol

517

CH₂CH₂Cl

2-chloroethyl radical

²A^'

C_s

518

CHClCH₃

1-chloroethyl radical

²A

C₁

519

C₂H₅Br

Ethyl bromide

¹A^'

C_s

520

C₄

Carbon tetramer

³Σ_g

D_∞h

521

C₄

Carbon tetramer

522

C₄H₂⁺

diacetlyene cation

²Π_g

D_∞h

523

C₄H₄

Tetrahedrane

524

C₄H₆

1-Methylcyclopropene

¹A

C₁

525

CH₂CHCH₂CH₃

1-Butene

¹A

C₁

526

CH₃CH₂CH₂CH₃

Butane

¹A_g

Anti

527

As₄

Arsenic tetramer

¹A₁

T_d

528

HCCCN⁺

Cyanoacetylene cation

²Π

C_∞v

529

H₂CNCN

cyanamide, methylene

530

HNCCNH

Ethenediimine

531

C₂H₅CN

ethyl cyanide

¹A^'

C_s

532

H₂NCHCHNH₂

diaminoethylene

533

CH₇N₃

triaminomethane

534

NH₂CH₂CH₂CH₃

1-Propanamine

¹A^'

C_s

535

N(SiH₃)₃

trisilylamine

536

Na₂O₂

disodium dioxide

537

K₂O₂

dipotassium dioxide

538

ONNO

NO dimer

¹A_g

trans C2H

539

ONNO

NO dimer

¹A₁

cis C2V

540

S₂N₂

Disulfur dinitride

¹A_G

D_2h

541

CS₃^--

Carbonotrithioate

542

SO₃

Sulfur trioxide

¹A₁^'

D_3h

543

SO₃^--

Sulfate dianion

544

S₄

Sulfur tetramer

545

S₄

Sulfur tetramer

546

S₄

Sulfur tetramer

547

HNO₃

Nitric acid

¹A^'

C_s

548

C₃H₂O

Propadienal

549

C₃H₂O

Propadienal

550

C₂H₂O₂

Ethanedial

¹A_g

C_2h

551

C₂H₃NO

Nitrosoethylene

552

CH₃NCO

methylisocyante

553

HOCH₂CN

cyanomethanol

554

CH₃NO₂

Methane, nitro-

¹A^'

C_s

555

H₃AlO₃

Aluminum hydroxide

556

CH₂CHCHO

Acrolein

¹A^'

C_s

557

CH₂CHCHO

Acrolein

558

CH₂C(OH)NH₂

1-amino vinyl alchohol

559

CH₃C(OH)=NH

Ethaninidic acid

560

CH₃CSNH₂

Ethanethioamide

561

C₃H₆O

Acetone enol

¹A^'

C_s

562

CH₃CH₂CHO

Propanal

¹A^'

C_s

563

CH₃COCH₃

Acetone

¹A₁

C_2v

564

CH₃SOCH₃

Dimethyl sulfoxide

¹A^'

C_s

565

C₃H₇OH

1-Propanol

566

Li₂F₂

Lithium fluoride dimer

567

CF₂O

Carbonic difluoride

¹A₁

C_2v

568

CF₂O⁺

Carbonic difluoride cation

569

BF₃

Borane, trifluoro-

¹A^'

D_3h

570

BF₃⁺

boron trifluoride cation

571

AlF₃

Aluminum trifluoride

¹A₁^'

D_3h

572

BClF₂

Chlorodifluoroborane

573

BCl₃

Borane, trichloro-

¹A₁^'

D_3h

574

BCl₃⁺

Boron Trichloride cation

575

GaF₃

Gallium trifluoride

¹A₁^'

D_3h

576

GaCl₃

Gallium trichloride

¹A₁^'

D_3h

577

CF₂Cl

difluorochloromethyl radical

578

CFCl₂

dichlorofluoromethyl radical

579

CBr₃

tribromomethyl radical

580

ClO₂F

Chloryl fluoride

¹A^'

C_s

581

SSCl₂

Thiothionyl chloride

582

NF₃

Nitrogen trifluoride

¹A₁

C_3v

583

NCl₃

nitrogen trichloride

¹A₁

C_3v

584

NBr₃

Nitrogen Tribromide

¹A₁

C_3v

585

HClO₃

Chloric Acid

¹A^'

C_s

586

HClO₃

Chloric Acid

¹A

C₁

587

CHF₃

Methane, trifluoro-

¹A₁

C_3v

588

SiHF₃

trifluorosilane

589

CHCl₃

Chloroform

¹A₁

C_3v

590

CHBrF₂

Methane, bromodifluoro-

¹A^'

C_s

591

CHFClBr

fluorochlorobromomethane

¹A

C₁

592

CHBrCl₂

Methane, bromodichloro-

¹A^'

C_s

593

CHBr₂F

dibromofluoromethane

594

AsF₃H⁺

Arsenic trifluoride, protonated

595

C₂H₂ClF

1-chloro-1-fluoroethylene

¹A^'

C_s

596

CHFCHCl

(E)-1-chloro-2-fluoroethene

¹A^'

C_s

597

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

¹A^'

C_s

598

CHBrCHBr

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

599

CHBrCHBr

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

600

C₂H₄F₂

1,2-difluoroethane

¹A_g

C2H anti

601

C₂H₄F₂

1,2-difluoroethane

¹A

C2 gauche

602

CH₃CHF₂

Ethane, 1,1-difluoro-

¹A^'

C_s

603

CH₂BrCH₂Cl

1-bromo-2-chloroethane

604

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

¹A_g

C_2h

605

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

¹A

C₂

606

CH₂CHCH₂F

Allyl Fluoride

607

CH₂CHCH₂F

Allyl Fluoride

608

CH₃CHCHF

trans-1-Fluoro-1-propene

609

CH₂FCH₂OH

2-fluoroethanol

610

CH₂FCH₂CH₃

1-Fluoropropane

¹A^'

C_s

611

CH₂FCH₂CH₃

1-Fluoropropane

612

CH₃CHFCH₃

2-Fluoropropane

¹A^'

C_s

613

CH₃CHClCH₃

Propane, 2-chloro-

¹A^'

C_s

614

B₅H₉

pentaborane9

615

C₅H₄

pentatetraene

616

C₅H₆

Propellane

¹A₁

D_3h

617

C₅H₈

Bicyclo[1.1.1]pentane

618

C₃H₄N₂

2H-Imidazole

¹A₁

C_2v

619

C₄H₅N

Pyrrole

¹A₁

C_2v

620

C₃O₂

Carbon suboxide

¹Σ_G

D_∞h

621

B₂O₃

diboron trioxide

622

B₂O₃

diboron trioxide

623

CHOOCHO

diformyl ether

624

C₃H₃NO

Isoxazole

¹A^'

C_s

625

C₃H₃NS

Thiazole

626

C₄H₄O

Furan

¹A₁

C₂

627

CH₃COCCH

3-butyn-2-one

¹A^'

C_s

628

C₄H₄Se

selenophene

629

HCOOC₂H₅

Ethyl formate

¹A^'

C_s

630

C₂H₆O₂S

Dimethyl sulfone

¹A₁

C_2v

631

C₄H₈S

Thiophene, tetrahydro-

¹A

C₁

632

C₄H₁₀O

Ethoxy ethane

¹A₁

C_2v

633

C₄H₁₀O

Methyl propyl ether

¹A

C₁

634

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

¹A^'

C_s

635

C₄H₉SH

1-Butanethiol

636

CF₃Cl

Methane, chlorotrifluoro-

¹A₁

C_3v

637

CF₂Cl₂

difluorodichloromethane

¹A₁

C_2v

638

CF₃Br

Bromotrifluoromethane

¹A₁

C_3v

639

GeF₄

Germanium tetrafluoride

¹A₁

T_d

640

CCl₄

Carbon tetrachloride

¹A₁

T_d

641

CBrCl₂F

bromodichlorofluoromethane

642

CBr₂ClF

dibromochlorofluoromethane

643

CBr₂Cl₂

dibromodichloromethane

¹A₁

C_2v

644

CBr₃Cl

tribromochloromethane

¹A₁

C_3v

645

CBr₄

Carbon tetrabromide

¹A₁

T_d

646

GeBr₄

Germanium tetrabromide

647

SF₄

Sulfur tetrafluoride

¹A₁

C_2v

648

SeF₄

Selenium tetrafluoride

649

SCl₄

Sulfur tetrachloride

650

CH₂ClCCCl

1,3-dichloropropyne

651

CHCl₂CCH

3,3-dichloropropyne

652

CHCl₂CHO

dichloroacetaldehyde

653

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

¹A

C₁

654

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

¹A^'

C_s

655

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

656

CH₂FCH₂CH₂F

1,3-difluoropropane

657

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

¹A₁

C_2v

658

C₂H₂N₂O

Furazan

659

C₆H₆

Prismane

660

C₆H₆

1,2,4,5-Hexatetraene

¹A_g

C_2h

661

C₆H₆

Benzene

¹A_1g

D_6h

662

C₆H₆

Benzvalene

¹A₁

C_2v

663

C₆H₆

Dewar Benzene

664

N₃P₃

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

665

N₂O₄

Dinitrogen tetroxide

¹A_g

D_2d

666

C₃H₂O₃

vinylene carbonate

667

C₅H₆O

2H-Pyran

668

C₅H₆O

Pentadienal

669

C₄H₆O₂

γ–Butyrolactone

¹A

C₁

670

C₃H₆O₃

1,3,5-Trioxane

¹A₁

C₁

671

C₄H₈O₂

Ethyl acetate

¹A^'

C_s

672

C₅H₁₀O

3-Pentanone

¹A₁

C_2v

673

C₄F₂

difluorobutadiyne

674

C₂ClF₃

Ethene, chlorotrifluoro-

675

C₂Br₄

tetrabromoethene

676

SiF₅^-

silicon pentafluoride anion

677

PF₅

Phosphorus pentafluoride

¹A₁^'

D_3h

678

CHCl₂CHCl₂

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

679

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

680

C₇H₇

cycloheptatrienyl radical

²A₂

C_2v

681

C₇H₇⁺

cycloheptatrienyl cation

¹A₁^'

D_7h

682

CH(CN)₃

tricyanomethane

683

HN=C=C(CN)₂

Dicyanoketenimine

684

C₅H₄O₂

furfural

¹A^'

OCCO cis

685

C₅H₄O₂

furfural

¹A^'

OCCO trans

686

C₆H₁₂O

Oxepane

687

F₂CCCF₂

tetrafluoroallene

688

SF₆

Sulfur Hexafluoride

¹A_1G

O_h

689

C₈H₈

cubane

¹A_1G

O_h

690

S₄N₄

Tetrasulfur tetranitride

691

C₆H₅CHO

benzaldehyde

¹A^'

C_s

692

C₆H₄F₂

1,4-difluorobenzene

¹A_g

D_2h

693

C₆H₄Cl₂

1,4-dichlorobenzene

694

C₆H₅NO

nitrosobenzene

¹A^'

C_s

695

C₃F₆

hexafluoropropene

696

C₈H₁₈O

1-Octanol

697

C₁₀H₁₀

bullvalene

698

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

699

C₁₃H₁₀

Fluorene

700

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

count

Species

Name

file name

problem

Deuterium atom

D^-

Deuterium atom anion

D⁺

Deuterium atom cation

H^-

Hydrogen atom anion

H⁺

Hydrogen atom cation

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-

Calcium atom

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

Titanium atom

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

100

P⁺

Phosphorus atom cation

101

Vanadium atom

102

Antimony atom

103

Imidogen

104

NH^-

Imidogen anion

nh-

105

NH⁺

imidogen cation

nh+

106

PH^-

phosphorus monohydride anion

ph-

107

PH⁺

phosphorus monohydride cation

ph+

108

AsH⁺

Arsenic monohydride cation

ash+

109

SbH

Antimony monohydride

sbh

110

ND₂

Amidogen-d2

nd2

111

NH₂^-

amino anion

nh2-

112

PH₂

Phosphino radical

ph2

113

PH₂^-

Phosphino anion

ph2-

114

PH₂⁺

Phosphino cation

ph2+

115

AsH₂

Arsenic dihydride

ash2

116

AsH₂⁺

Arsenic dihydride cation

ash2+

117

ND₃

Ammonia-d3

nd3

118

NH₃^-

Ammonia anion

nh3-

119

NH₃⁺

ammonia cation

nh3+

120

SbH₃

Stibine

sbh3

121

NH₄⁺

ammonium cation

nh4+

122

PH₄⁺

phosphonium cation

ph4+

123

O^-

Oxygen atom anion

124

S^-

Sulfur atom anion

125

S⁺

Sulfur atom cation

126

Chromium atom

127

Tellurium atom

128

Te⁺

Tellurium atom cation

te+

129

Hydroxyl-d

130

OH^-

hydroxide anion

oh-

131

Mercapto-d

132

Mercapto radical

133

TeH

Telluryl radical

teh

134

D₂O

Deuterium oxide

d2o

135

D₂S

Hydrogen sulfide-d2

d2s

136

H₂S^-

Hydrogen sulfide anion

h2s-

137

H₂Te

Hydrogen Telluride

h2te

138

H₃O⁺

hydronium cation

h3o+

139

F^-

Fluorine atom anion

140

Cl^-

Chlorine atom anion

cl-

141

Manganese atom

142

Iodine atom

iodine

143

I^-

Iodine atom anion

iodine-

144

I⁺

Iodine atom cation

iodine+

145

Hydrofluoric acid-d

146

DCl

Hydrochloric acid-d

dcl

147

Hydrogen iodide

148

HI⁺

Hydrogen iodide cation

hi+

149

H₂F⁺

dihydrogen fluoride cation

h2f+

150

H₂I⁺

Iodonium

h2i+

151

Ne^-

Neon atom anion

ne-

152

Ar^-

Argon atom anion

ar-

153

Ar⁺

Argon atom cation

ar+

154

Iron atom

155

Xenon atom

156

NeH

neon hydrogen

neh

157

NeH⁺

neon hydrogen cation

neh+

158

XeH⁺

Xenon, protonated

xeh+

159

H₂Ar

H2 Ar dimer

h2ar

160

Cobalt atom

cobalt

161

Nickel atom

162

Li₂

Lithium diatomic

li2

163

Li₂^-

lithium diatomic anion

li2-

164

Li₂⁺

lithium diatomic cation

li2+

165

NaLi^-

lithium sodium anion

lina-

166

NaLi⁺

lithium sodium cation

lina+

167

LiK

Lithium Potassium

lik

168

Na₂⁺

sodium diatomic cation

na2+

169

NaK

Sodium Potassium

nak

170

NaK⁺

Sodium Potassium diatomic cation

nak+

171

K₂

Potassium diatomic

172

Cu₂

Copper diatomic

cu2

173

LiBe

Lithium Beryllium

libe

174

LiMg

Lithium magnesium

limg

175

NaBe

Sodium Beryllium

nabe

176

NaMg

Sodium Magnesium

namg

177

Be₂

Beryllium diatomic

be2

178

Be₂^-

Beryllium diatomic anion

be2-

179

Be₂⁺

Beryllium diatomic cation

be2+

180

BeMg

Beryllium Magnesium

bemg

181

Mg₂

Magnesium diatomic

mg2

182

Mg₂^-

magnesium diatomic anion

mg2-

183

Mg₂⁺

magnesium diatomic cation

mg2+

184

Ca₂

Calcium diatomic

ca2

185

LiB

Lithium boride

lib

186

NaAl

Sodium aluminum

naal

187

BeB

Beryllium monoboride

beb

188

B₂

Boron diatomic

189

B₂^-

Boron diatomic anion

b2-

190

B₂⁺

Boron diatomic cation

b2+

191

BAl

Boron Aluminum

bal

192

Al₂

Aluminum diatomic

al2

193

Al₂^-

aluminum diatomic anion

al2-

194

Al₂⁺

aluminum diatomic cation

al2+

195

BGa

Boron Gallium

bga

196

AlGa

Aluminum Gallium

alga

197

Ga₂

Gallium diatomic

ga2

198

LiBH₄

Lithium borohydride

libh4

199

HBHHBH

Diborane(4) C2V

hbhhbh

200

Al₂H₆

dialane

al2h6

201

Ga₂H₆

digallane

ga2h6

202

LiC

Lithium Carbide

lic

203

BeC

Beryllium Carbide

bec

204

boron monocarbide

205

BC^-

boron monocarbide anion

bc-

206

BC⁺

boron monocarbide cation

bc+

207

AlC

Aluminum carbide

alc

208

C₂

Carbon diatomic

209

C₂^-

carbon diatomic anion

c2-

210

C₂⁺

carbon diatomic cation

c2+

211

SiC

silicon monocarbide

sic

212

SiC^-

silicon monocarbide anion

sic-

213

SiC⁺

silicon monocarbide cation

sic+

214

Si₂^-

silcon diatomic anion

si2-

215

Si₂⁺

silcon diatomic cation

si2+

216

Ge₂

Germanium diatomic

ge2

217

C₂H

Ethynyl radical

c2h

218

C₂H⁺

Ethynyl cation

c2h+

219

ZnCH₂

Zinc methylene

znch2

220

CCH₂

vinylidene

221

CuCH₃

monomethyl copper

cuch3

222

ZnCH₃

Zinc monomethyl

znch3

223

CH₂BH

methyleneborane

ch2bh

224

C₂H₃^-

vinyl anion

c2h3-

225

C₂H₄^-

Ethylene anion

c2h4-

226

CH₃CH

methylmethylene

ch3ch

227

CH₂SiH₂

silaethylene

ch2sih2

228

CH₃BH₂

methylborane

ch3bh2

229

C₂H₅^-

Ethyl anion

c2h5-

230

C₂H₅⁺

Ethyl cation

c2h5+

231

C₂H₆⁺

ethane cation

c2h6+

232

CH₃SiH₃

methyl silane

ch3sih3

233

GeH₃CH₃

methyl germane

geh3ch3

234

C₂H₇⁺

Ethane, protonated

c2h7+

235

LiN⁺

Lithium Nitride cation

lin+

236

BeN

Beryllium mononitride

ben

237

BeN^-

Beryllium mononitride anion

ben-

238

BeN⁺

Beryllium mononitride cation

ben+

239

BN^-

boron nitride anion

bn-

240

AlN^-

aluminum mononitride anion

aln-

241

AlN⁺

aluminum mononitride cation

aln+

242

Boron monophosphide

243

AlP

Aluminum monophosphide

alp

244

GaN

Gallium mononitride

gan

245

GaP

Gallium monophosphide

gap

246

boron nitride

247

BN⁺

boron nitride cation

bn+

248

AlN

Aluminum nitride

aln

249

CN^-

cyanide anion

cn-

250

CN⁺

Cyano cation

cn+

251

Carbon monophosphide

252

CP^-

carbon monophosphide anion

cp-

253

CP⁺

carbon monophosphide cation

cp+

254

SiN

Silicon nitride

sin

255

SiN^-

silicon mononitride anion

sin-

256

SiN⁺

silicon mononitride cation

sin+

257

SiP^-

Silicon monophosphide anion

sip-

258

SiP⁺

Silicon monophosphide cation

sip+

259

TiN

Titanium mononitride

tin

260

N₂^-

nitrogen diatomic anion

n2-

261

N₂⁺

diatomic nitrogen cation

n2+

262

PN^-

phosphorus nitride anion

pn-

263

PN⁺

phosphorus nitride cation

pn+

264

P₂

Phosphorus diatomic

265

P₂^-

phosphorus diatomic anion

p2-

266

P₂⁺

phosphorus diatomic cation

p2+

267

AsN

Arsenic mononitride

asn

268

AsP

Arsenic monophosphide

asp

269

SbN

Antimony nitride

sbn

270

As₂

Arsenic diatomic

as2

271

HNB

hydrogen nitrogen boron

hnb

272

HNC

hydrogen isocyanide

hnc

273

HCN^-

Hydrogen cyanide anion

hcn-

274

HCP

Phosphaethyne

hcp

275

NNH

Dinitrogen monohydride

nnh

276

HPO

Hydrogen phosphorus oxide

hpo

277

HPO⁺

Hydrogen phosphorus oxide cation

hpo+

278

CNH₂

Aminomethylidyne radical

cnh2

279

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

280

H₂CN

Dihydrogen cyanide radical

h2cn

281

H₂CN⁺

hydrocyanonium cation

h2cn+

282

HCNH

methyleneazane

hcnh

283

HCNH⁺

N-protonated HCN

hcnh+

284

N₂H₂

(E)-diazene

n2h2

285

N₂H₂

(Z)-Diazene

n2h2z

286

CH₂PH

Phosphaethene

ch3p

287

CH₂NH₂⁺

methyleneamine cation

ch2nh2+

288

N₂H₄⁺

hydrazine cation

n2h4+

289

P₂H₄

Diphosphine

p2h4

290

CH₃NH₂⁺

methyl amine cation

ch3nh2+

291

CH₃PH₂

Methyl phosphine

ch3ph2

292

N₂H₅⁺

protonated hydrazine

n2h5+

293

CH₃NH₃⁺

protonated methylamine

ch3nh3+

294

CH₃PH₃⁺

methyl phosphine, protonated

ch3ph3+

295

NH₃NH₃

Ammonia Dimer

nh3nh3

296

LiO

lithium oxide

lio

297

LiO^-

lithium oxide anion

lio-

298

LiO⁺

lithium oxide cation

lio+

299

LiS

Lithium monosulfide

lis

300

LiS⁺

Lithium sulfide cation

lis+

301

NaO

sodium monoxide

nao

302

NaO^-

sodium oxide anion

nao-

303

NaO⁺

sodium oxide cation

nao+

304

Potassium monoxide

305

KO⁺

Potassium monoxide cation

ko+

306

NaS

Sodium sulfide

nas

307

CuO

Copper Monoxide

cuo

308

BeO

beryllium oxide

beo

309

BeO^-

Beryllium monoxide anion

beo-

310

BeO⁺

Beryllium monoxide cation

beo+

311

BeS

beryllium sulfide

bes

312

MgO

magnesium oxide

mgo

313

MgO^-

magnesium oxide anion

mgo-

314

MgO⁺

magnesium oxide cation

mgo+

315

MgS

magnesium sulfide

mgs

316

MgS^-

magnesium sulfide anion

mgs-

317

MgS⁺

magnesium sulfide cation

mgs+

318

ZnO

zinc monoxide

zno

319

ZnS

Zinc sulfide

zns

320

BeS^-

Beryllium monosulfide anion

bes-

321

BeS⁺

Beryllium monosulfide cation

bes+

322

BO^-

boron monoxide anion

bo-

323

AlO

Aluminum monoxide

alo

324

AlO^-

Aluminum monoxide anion

alo-

325

AlO⁺

aluminum monoxide cation

alo+

326

boron sulfide

327

BS^-

boron monosulfide anion

bs-

328

BS⁺

boron monosulfide cation

bs+

329

AlS

Aluminum sulfide

als

330

AlS^-

aluminum monosulfide anion

als-

331

AlS⁺

aluminum monosulfide cation

als+

332

ScO

Scandium monoxide

sco

333

BO⁺

boron monoxide cation

bo+

334

carbon monosulfide

335

CS^-

carbon monosulfide anion

cs-

336

CS⁺

carbon monosulfide cation

cs+

337

SiO^-

silicon monoxide anion

sio-

338

SiO⁺

silicon monoxide cation

sio+

339

SiS^-

silicon monosulfide anion

sis-

340

SiS⁺

silicon monosulfide cation

sis+

341

TiO

Titanium monoxide

tio

342

CSe^-

Carbon monoselenide anion

cse-

343

CSe⁺

Carbon monoselenide cation

cse+

344

GeO⁺

Germanium monoxide cation

geo+

345

GeS

Germanium monosulfide

ges

346

Mononitrogen monosulfide

347

NS^-

nitrogen sulfide anion

ns-

348

NS⁺

nitrogen sulfide cation

ns+

349

PO^-

phosphorus monoxide anion

po-

350

PO⁺

phosphorus monoxide cation

po+

351

PS^-

phosphorus monosulfide anion

ps-

352

PS⁺

phosphorus monosulfide cation

ps+

353

Vanadium monoxide

354

AsO

Arsenic monoxide

aso

355

O₂^-

oxygen diatomic anion

o2-

356

O₂⁺

diatomic oxygen cation

o2+

357

SO^-

sulfur monoxide anion

so-

358

S₂^-

sulfur diatomic anion

s2-

359

S₂⁺

sulfur diatomic cation

s2+

360

SeO^-

selenium monoxide anion

seo-

361

SeO⁺

selenium monoxide cation

seo+

362

SeS

Selenium monosulfide

ses

363

SeS^-

selenium monosulfide anion

ses-

364

SeS⁺

selenium monosulfide cation

ses+

365

TeO

Tellurium monoxide

teo

366

Se₂^-

selenium diatomic anion

se2-

367

Se₂⁺

selenium diatomic cation

se2+

368

Te₂

Tellurium diatomic

te2

369

NaOH

sodium hydroxide

naoh

370

MgOH

magnesium hydroxide

mgoh

371

CaOH

Calcium monohydroxide

caoh

372

COH⁺

Carbon Monoxide, protonated

coh+

373

HCS

Thioformyl radical

hcs

374

HCS^-

Thioformyl anion

hcs-

375

HCS⁺

Thioformyl cation

hcs+

376

HNO^-

Nitrosyl hydride anion

hno-

377

NOH

Hydroxyimidogen

noh

378

NOH⁺

O-protonated nitric oxide

noh+

379

HNS

Sulfur imide

hns

380

HNS^-

Sulfur imide anion

hns-

381

HO₂

Hydroperoxy radical

ho2

382

HO₂^-

Hydroperoxy anion

ho2-

383

HO₂⁺

Hydroperoxy cation

ho2+

384

HS₂

Thiosulfeno radical

hs2

385

HOCH

hydroxycarbene

hoch

386

H₂CS⁺

thioformaldehyde cation

h2cs+

387

H₂NO

nitroxide

h2no

388

H₂O₂⁺

Hydrogen peroxide cation

h2o2+

389

H₂S₂

Disulfane

h2s2

390

H₂S₂⁺

hydrogen disulfide cation

h2s2+

391

CH₂OH

Hydroxymethyl radical

ch2oh

392

CH₃O

Methoxy radical

ch3o

393

CH₃O⁺

Methoxy cation

ch3o+

394

CH₃S

thiomethoxy

ch3s

395

H₂CSH⁺

Thioformaldehyde, protonated

h2csh+

396

NH₃O

Ammonia Oxide

nh3o

397

H₂POH

Phosphinous acid

h2poh

398

H₃PO

Phosphine oxide

h3po

399

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

400

CH₃OH^-

Methyl alcohol anion

ch3oh-

401

CH₃SH⁺

Methanethiol cation

ch3sh+

402

CH₃SeH

Methane selenol

ch3seh

403

H₂OH₂O

water dimer

h2oh2o

404

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

405

CH₃SH₂⁺

protonated methylsulfide

ch3sh2+

406

H₂ONH₃

Water Ammonia Dimer

h2onh3

407

LiCl^-

lithium chloride anion

licl-

408

LiCl⁺

lithium chloride cation

licl+

409

NaF

sodium fluoride

naf

410

NaF^-

sodium fluoride anion

naf-

411

Potassium Fluoride

412

NaCl

Sodium Chloride

nacl

413

NaCl^-

sodium chloride anion

nacl-

414

NaCl⁺

sodium chloride cation

nacl+

415

KCl

Potassium Chloride

kcl

416

CuF

Copper monofluoride

cuf

417

LiBr^-

lithium bromide anion

libr-

418

LiBr⁺

lithium bromide cation

libr+

419

CuCl

Copper monochloride

cucl

420

NaBr

Sodium Bromide

nabr

421

NaBr^-

sodium bromide anion

nabr-

422

NaBr⁺

sodium bromide cation

nabr+

423

KBr

Potassium Bromide

kbr

424

LiI

Lithium Iodide

lii

425

NaI

Sodium Iodide

nai

426

Potassium Iodide

427

LiF^-

lithium fluoride anion

lif-

428

BeF

Beryllium monofluoride

bef

429

BeF^-

Beryllium monofluoride anion

bef-

430

BeF⁺

Beryllium monofluoride cation

bef+

431

BeCl

beryllium monochloride

becl

432

MgF

Magnesium monofluoride

mgf

433

MgF^-

magnesium fluoride anion

mgf-

434

MgF⁺

magnesium fluoride cation

mgf+

435

CaF

Calcium monofluoride

caf

436

MgCl

magnesium monochloride

mgcl

437

MgCl^-

magnesium monochloride anion

mgcl-

438

MgCl⁺

magnesium monochloride cation

mgcl+

439

CaCl

calcium monochloride

cacl

440

TiCl

Titanium Monochloride

ticl

441

ZnF

Zinc monofluoride

znf

442

ZnF^-

Zinc monofluoride anion

znf-

443

ZnF⁺

Zinc monofluoride cation

znf+

444

ZnCl

Zinc monochloride

zncl

445

BeCl^-

beryllium monochloride anion

becl-

446

BeCl⁺

beryllium monochloride cation

becl+

447

BF^-

Boron monofluoride anion

bf-

448

BF⁺

Boron monofluoride cation

bf+

449

AlF^-

Aluminum monofluoride anion

alf-

450

AlF⁺

Aluminum monofluoride cation

alf+

451

BCl

boron monochloride

bcl

452

BCl^-

boron monochloride anion

bcl-

453

BCl⁺

boron monochloride cation

bcl+

454

AlCl

Aluminum monochloride

alcl

455

AlCl^-

aluminum monochloride anion

alcl-

456

AlCl⁺

aluminum monochloride cation

alcl+

457

ScF

Scandium monofluoride

scf

458

BBr

Boron monobromide

bbr

459

GaF⁺

Gallium monofluoride cation

gaf+

460

GaCl⁺

Gallium monochloride cation

gacl+

461

AlI

Aluminum monoiodide

ali

462

CF^-

carbon monofluoride anion

cf-

463

CF⁺

carbon monofluoride cation

cf+

464

CCl

carbon monochloride

ccl

465

CCl^-

carbon monochloride anion

ccl-

466

CCl⁺

carbon monochloride cation

ccl+

467

SiF

silicon monofluoride

sif

468

SiF^-

silicon monofluoride anion

sif-

469

SiF⁺

silicon monofluoride cation

sif+

470

SiCl^-

silicon monochloride anion

sicl-

471

SiCl⁺

silicon monochloride cation

sicl+

472

GeF⁺

Germanium monofluoride cation

gef+

473

nitrogen fluoride

474

NF^-

nitrogen monofluorine anion

nf-

475

NF⁺

nitrogen monofluoirde cation

nf+

476

NCl^-

nitrogen monochloride anion

ncl-

477

NCl⁺

nitrogen monochloride cation

ncl+

478

phosphorus monofluoride

479

PF^-

phosphorus monofluoride anion

pf-

480

PF⁺

phosphorus monofluoride cation

pf+

481

PCl

phosphorus chloride

pcl

482

PCl^-

phosphorus monochloride anion

pcl-

483

PCl⁺

phosphorus monochloride cation

pcl+

484

AsF

Arsenic monofluoride

asf

485

NBr

nitrogen monobromide

nbr

486

AsCl

Arsenic monochloride

ascl

487

SbF

Antimony monofluoride

sbf

488

SbCl

Antimony monochloride

sbcl

489

Oxygen monofluoride

490

FO^-

flourine oxide anion

fo-

491

FO⁺

fluorine monoxide cation

fo+

492

ClO^-

chlorine monoxide anion

clo-

493

SF^-

sulfur monofluoride anion

sf-

494

SCl

sulfur monochloride

scl

495

SCl^-

sulfur monochloride anion

scl-

496

BrO^-

Bromine monoxide anion

bro-

497

SeF

Selenium monofluoride

sef

498

SeCl

Selenium monochloride

secl

499

Iodine monoxide

500

F₂^-

flourine diatomic anion

f2-

501

ClF^-

clorine monofluoride anion

clf-

502

Cl₂^-

chlorine diatomic anion

cl2-

503

BrF^-

bromine fluoride anion

brf-

504

BrF⁺

bromine fluoride cation

brf+

505

BrCl^-

bromine chloride anion

brcl-

506

BrCl⁺

bromine chloride cation

brcl+

507

Iodine monofluoride

508

ICl

Iodine monochloride

icl

509

IBr

Iodine monobromide

ibr

510

I₂

Iodine diatomic

511

I₂⁺

Iodine diatomic cation

i2+

512

HCCl

Chloromethylene

hccl

513

CHBr

bromomethylene

chbr

514

DOCl

Hypochlorous acid-d

docl

515

HOBr

Hypobromous acid

hobr

516

HOBr⁺

Hypobromous acid cation

hobr+

517

HOI

Hypoiodous acid

hoi

518

FHF

Hydrogen difluoride

fhf

519

FHF^-

Hydrogen difluoride anion

fhf-

520

NH₂F

monofluoroamine

nh2f

521

H₂F₂

Hydrogen fluoride dimer

h2f2

522

CD₃F

methylfluoride-d3

cd3f

523

CD₃Cl

methyl chloride d3

cd3cl

524

SiH₃Br

bromosilane

sih3br

525

CH₃I

methyl iodide

ch3i

526

SiH₃I

Silyl Iodide

sih3i

527

Ne₂

Neon diatomic

ne2

528

Ne₂⁺

Neon diatomic cation

ne2+

529

Ar₂⁺

Argon diatomic cation

ar2+

530

Li₃

Lithium trimer

li3

531

Li₃⁺

Lithium trimer cation

li3+

532

C₃⁺

carbon trimer cation

c3+

533

C₃H₃

cyclopropenyl radical

cpr

534

C₃H₃

Propargyl radical

propargyl

535

C₃H₃^-

Propargyl anion

c3h3-

536

C₃H₃⁺

cyclopropenyl cation

cpr+

537

C₃H₃⁺

Propargyl cation

c3h3+

538

C₃H₅⁺

Allyl cation

allyl+

539

CH₃CHCH

1-propenyl radical

ch3chch

540

Zn(CH₃)₂

dimethyl zinc

dmz

541

C₃H₇⁺

cyclopropane, protonated

c3h7+

542

SiH₂(CH₃)₂

dimethylsilane

dms

543

NaCN

Sodium Cyanide

nacn

544

CuCN

Copper cyanide

cucn

545

CN₂

3H-Diazirin-3-ylidene

cn2

546

NCN

Cyanoimidogen

ncn

547

N₃^-

azide anion

n3-

548

N₃⁺

azide cation

n3+

549

HCCN

cyanomethylene

hccn

550

HCNN

diazomethyl radical

hcnn

551

CH₂N₂

diazirine

ch2n2

552

CH₂NN

diazomethane

ch2nn

553

NH₂CN

cyanamide

554

CH₃CN⁺

Acetonitrile cation

ch3cn+

555

CH₃NC

methyl isocyanide

ch3nc

556

HNCNH₂⁺

diiminomethane, protonated

hncnh2+

557

NCNH₃⁺

Cyanamide, protonated

ncnh3+

558

CH₂CHNH

vinylazine

ch2chnh

559

CH₃CHN

methylmethaniminyl radical

ch3chn

560

NHCHNH₂

aminomethanimine

cn2h4

561

C₂H₅N

Aziridine

c2h5n

562

CH₂CHNH₂

aminoethene

563

CH₂NCH₃

N-methylmethanimine

nmm

564

CH₃CHNH

ethanimine

565

NH₂BHNH₂

diaminoborane

nh2bhnh2

566

C₂H₅NH⁺

Protonated Aziridine

c2h5nh+

567

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

568

CH₃NHCH₃

Dimethylamine

ch3nhch3

569

CH₃PHCH₃

dimethylphosphine

ch3phch3

570

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

571

(CH₃)₂NH₂⁺

dimethylammonium cation

dmam

572

CH₃CH₂NH₃⁺

ethylamine, protonated

pea

573

Li₂O⁺

dilithium oxide cation

li2o+

574

Li₂S

dilithium sulfide

li2s

575

CCO

Dicarbon monoxide

cco

576

CNO^-

fulminate

cno-

577

NCO^-

cyanate

nco-

578

SCN

thiocyanato radical

scn

579

SCN^-

thiocyanide anion

scn-

580

BO₂

Boron dioxide

bo2

581

BO₂^-

Boron dioxide anion

bo2-

582

BO₂⁺

Boron dioxide cation

bo2+

583

N₂O^-

Nitrous oxide anion

n2o-

584

N₂O⁺

Nitrous oxide cation

n2o+

585

NNS

Nitrogen sulfide

nns

586

PPO

Phosphorus oxide phosphide

ppo

587

CO₂^-

Carbon dioxide anion

co2-

588

CO₂⁺

Carbon dioxide cation

co2+

589

OCS⁺

Carbonyl sulfide cation

cos+

590

SiO₂

silicon dioxide

sio2

591

CS₂^-

Carbon disulfide anion

cs2-

592

CS₂⁺

Carbon disulfide cation

cs2+

593

TiO₂

Titanium dioxide

tio2

594

SiS₂

Silicon disulfide

sis2

595

GeS₂

Germanium disulfide

ges2

596

CSe₂

Carbon diselenide

cse2

597

SCTe

Carbon sulfide Telluride

scte

598

NO₂^-

Nitrogen dioxide anion

no2-

599

NO₂⁺

Nitrogen dioxide cation

no2+

600

PO₂

Phosphorus dioxide

po2

601

PO₂^-

Phosphorus dioxide anion

po2-

602

PO₂⁺

Phosphorus dioxide cation

po2+

603

AsO₂

Aresenic dioxide

aso2

604

O₃

Ozone

605

O₃^-

Ozone anion

o3-

606

O₃⁺

Ozone cation

o3+

607

SO₂^-

Sulfur dioxide anion

so2-

608

SO₂⁺

Sulfur dioxide cation

so2+

609

S₃^-

Sulfur trimer anion

s3-

610

S₃⁺

Sulfur trimer cation

s3+

611

SeO₂⁺

Selenium dioxide cation

seo2+

612

TeO₂

Tellurium Dioxide

teo2

613

CS₂H⁺

Carbon disulfide, protonated

cs2h+

614

HNCO

Isocyanic acid

hnco

615

HOCN

cyanic acid

hocn

616

HCO₂^-

formate anion

hco2-

617

HNNO

nitrosoazane

hnno

618

HNNO⁺

Nitrous oxide, N-protonated

hnno+

619

NNOH⁺

Nitrous Oxide, O-protonated

nnoh+

620

HCOO

formate neutral radical

hcoo

621

HOCO⁺

Hydrocarboxyl cation

hoco+

622

HNO₂

Nitrous acid

hno2

623

HNO₂⁺

nitrous acid cation

hno2+

624

SO₂H⁺

protonated sulfur dioxide

so2h+

625

CH₂CO⁺

Ketene cation

ch2co+

626

HCCOH

ethynol

hccoh

627

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

628

NH₂NO

Nitrosamide

nh2no

629

CH₂O₂

Dioxirane

diox

630

H₂O₃

Hydrogen trioxide

h2o3

631

HSSSH

trisulfane

hsssh

632

NaOCH₃

Sodium methoxide

naoch3

633

CH₂BOH

hydroxy(methylene)borane

ch2boh

634

CH₃BO

Borane, methyloxo-

ch3bo

635

CH₂CHO

Vinyloxy radical

ch2cho

636

CH₃CO

Acetyl radical

ch3co

637

CH₃CO^-

Acetyl anion

ch3co-

638

CH₃CO⁺

acetyl cation

ch3co+

639

CH₂NOH

formaldoxime

ch2noh

640

CH₃NO

nitrosomethane

ch3no

641

CHONH₂

formamide

642

CNOH₃

1,2-oxaziridine

cnoh3

643

CH₂OOH

CH2OOH radical

ch2ooh

644

CH₃OO

methylperoxy radical

ch3oo

645

CH₃OO^-

methylperoxy anion

ch3oo-

646

CH₃OO⁺

methylperoxy cation

ch3oo+

647

CH₂CHOH

ethenol

ch2choh

648

H₂CONH₂⁺

protonated formamide

h2conh2+

649

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

650

CH₂(OH)₂

methanediol

ch2o2h2

651

CH₃OOH

Methyl peroxide

ch3ooh

652

H₂OH₂CO

water formaldehyde dimer

h2oh2co

653

CH₂CH₂OH

2-hydroxy ethyl radical

ch2ch2oh

654

CH₃CH₂O

Ethoxy radical

ethoxy

655

CH₃CHOH

1-hydroxy-ethyl radical

ch3choh

656

CH₃CHOH⁺

acetaldehyde, protonated

ch3choh+

657

CH₃OCH₂

methoxymethyl radical

ch3och2

658

CH₃SeCH₃

dimethylselenide

dmse

659

CH₃OHH₂O

methanol water dimer

ch3ohh2o

660

H₂OCH₃OH

water methanol dimer

h2och3oh

661

CuF₂

Copper difluoride

cuf2

662

ZnF₂

Zinc difluoride

znf2

663

FCN

Cyanogen fluoride

fcn

664

ClCN

chlorocyanogen

clcn

665

ICN

Cyanogen iodide

icn

666

BeF₂

Beryllium fluoride

bef2

667

MgF₂

Magnesium fluoride

mgf2

668

BeCl₂

Beryllium chloride

becl2

669

MgCl₂

Magnesium dichloride

mgcl2

670

CaCl₂

Calcium Chloride

cacl2

671

ZnCl₂

Zinc dichloride

zncl2

672

CaF₂

Calcium difluoride

caf2

673

FCO

Carbonyl fluoride

fco

674

FCO⁺

Carbonyl fluoride cation

fco+

675

ClCO

carbonyl monochloride

clco

676

FNS

Thionitrosyl fluoride

fns

677

BrNO

Nitrosyl bromide

brno

678

INO

Nitrosyl iodide

ino

679

CF₂^-

Difluoromethylene anion

cf2-

680

CF₂⁺

Difluoromethylene cation

cf2+

681

SiF₂⁺

Silicon difluoride cation

sif2+

682

CCl₂

dichloromethylene

ccl2

683

CCl₂^-

dichloromethylene anion

ccl2-

684

CCl₂⁺

dichloromethylene cation

ccl2+

685

SiCl₂

Dichlorosilylene

sicl2

686

GeF₂

Germanium difluoride

gef2

687

FOO

Dioxygen monofluoride radical

foo

688

ClOO

chloroperoxy radical

cloo

689

ClOO⁺

chloroperoxy cation

cloo+

690

OClO⁺

Chlorine dioxide cation

oclo+

691

ClSO

Sulfur chloride oxide

clso

692

ClS₂

Sulfur chloride

cls2

693

OBrO

Bromine dioxide radical

obro

694

NF₂

Difluoroamino radical

nf2

695

NF₂⁺

Difluoroamino cation

nf2+

696

F₂O

Difluorine monoxide

f2o

697

SF₂^-

sulfur difluoride anion

sf2-

698

SF₂⁺

sulfur difluoride cation

sf2+

699

Cl₂O

Dichlorine monoxide

cl2o

700

SCl₂

Sulfur dichloride

scl2

701

BrOCl

Bromine hypochlorite

brocl

702

BrOBr

Bromine oxide

brobr

703

F₃^-

trifluoride anion

f3-

704

Cl₃^-

trichloride anion

cl3-

705

I₃^-

triiodide

i3-

706

HCCF⁺

fluoroacetylene cation

hccf+

707

HCCCl

Chloroacetylene

hcccl

708

HFCO

formyl fluoride

hfco

709

HFCO⁺

formyl fluoride cation

hfco+

710

COHCl

Formyl chloride

cohcl

711

COHBr

Formyl bromide

cohbr

712

BHF₂

Difluoroborane

bhf2

713

BHCl₂

Borane, dichloro-

bhcl2

714

CHCl₂

dichloromethyl radical

chcl2

715

HOClO

Chlorous acid

hoclo

716

CH₂FCl

fluorochloromethane

ch2fcl

717

CH₂BrF

Methane, bromofluoro-

ch2fbr

718

CH₂FI

fluoroiodomethane

ch2fi

719

CH₂ClI

chloroiodomethane

ch2cli

720

CH₂BrI

bromoiodomethane

ch2bri

721

CH₂I₂

Diiodomethane

ch2i2

722

SiH₂Cl₂

dichlorosilane

sih2cl2

723

CH₂CHF⁺

fluoroethene cation

ch2chf+

724

C₂H₃Cl

Ethene, chloro-

ch2chcl

725

C₂H₃Br

vinyl bromide

c2h3br

726

C₂H₃I

Vinyl iodide

c2h3i

727

CH₃OCl

methyl hypochlorite

ch3ocl

728

C₂H₅F

fluoroethane

c2h5f

729

CH₃CH₂Cl

Ethyl chloride

c2h5cl

730

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

731

C₂H₅I

Ethyl iodide

c2h5i

732

KrF₂

Krypton difluoride

krf2

733

XeF₂

Xenon difluoride

xef2

734

B₄H₁₀

Tetraborane(10)

b4h10

735

C₄⁺

Carbon tetramer cation

c4+

736

C₄H₂

Diacetylene

c4h2

737

C₂H₃CCH

1-Buten-3-yne

c2h3cch

738

C₄H₄

cyclobutadiene

cbd

739

H₂CCCCH₂

Butatriene

h2cccch2

740

C₄H₆

Cyclobutene

c822355

741

C₄H₆

Methylenecyclopropane

c6142730

742

CH₂CCHCH₃

1,2-Butadiene

butad12

743

CH₂CHCHCH₂

1,3-Butadiene

c106990

744

CH₃CCCH₃

2-Butyne

c503173

745

CHCCH₂CH₃

1-Butyne

c107006

746

CH₃CHCHCH₂

methylallyl radical

c4h7

747

C₄H₈

methylcyclopropane

mcp

748

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

749

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

750

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

751

B(CH₃)₃

trimethylborane

bme3

752

Al(CH₃)₃

trimethyl aluminum

tma

753

C(CH₃)₃

Tert-butyl radical

tbutyl

754

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

755

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

756

CH₃CH(CH₃)CH₃

Isobutane

isobutane

757

SiH(CH₃)₃

trimethylsilane

trimsi

758

Li₃N

trilithium nitride

li3n

759

C₂N₂

Cyanogen

c2n2

760

C₂N₂⁺

Cyanogen cation

c2n2+

761

P₄

Phosphorus tetramer

762

HCCCN

Cyanoacetylene

hcccn

763

C₃H₃N

acrylonitrile

ch2chcn

764

C₃H₃N⁺

acrylonitrile cation

ch2chcn+

765

CH₃N₃

methyl azide

ch3n3

766

NH₂CCNH₂

Diaminoacetylene

daa

767

NH₂CH₂CN

Aminoacetonitrile

aan

768

CH₃NHN₂⁺

methyl azide, protonated

ch3nhn2+

769

CH₅N₃

Guanidine

guanidine

770

C₄H₆

Bicyclo[1.1.0]butane

c157335

771

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

772

CH₆N₃⁺

guanidinium

ch6n3+

773

C₃H₇N

Cyclopropylamine

cpram

774

C₃H₇N

Azetidine

azet

775

C₄H₈

cyclobutane

cbutane

776

C₂H₈N₂

Ethylenediamine

ethdiam

777

CH₃NHNHCH₃

dimethyl hydrazine

dmh

778

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

779

N(CH₃)₃

Trimethylamine

trimeam

780

P(CH₃)₃

trimethylphosphine

tmp

781

As(CH₃)₃

trimethyl arsine

tmas

782

(CH₃)₃NH⁺

protonated trimethyl amine

ptma

783

C₃H₇NH₃⁺

n-propylamine, protonated

c3h7nh2

784

Li₂O₂

dilithium dioxide

li2o2

785

C₃O

Tricarbon monoxide

c3o

786

B₂O₂

Diboron dioxide

b2o2

787

CO₃

Carbon trioxide

co3

788

CO₃^--

carbonate

co3--

789

NO₃

Nitrogen trioxide

no3

790

NO₃^-

nitrate anion

no3-

791

NO₃⁺

nitrogen trioxide cation

no3+

792

SO₃^-

Sulfur trioxide anion

so3-

793

SO₃⁺

Sulfur trioxide cation

so3+

794

SeO₃

selenium trioxide

seo3

795

TeO₃

Tellurium trioxide

teo3

796

HCO₃^-

bicarbonate anion

hco3-

797

HSO₃

Hydroxysulfonyl radical

hso3

798

NH₂NO₂

nitramide

nh2no2

799

C₂H₂CO

cyclopropenone

c2h2co

800

HCCCHO

2-propynal

hcccho

801

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

802

H₂CO₃

Carbonic acid

h2co3

803

H₂CS₃

thiocarbonic acid

h2cs3

804

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

805

H₂SO₃

Sulfurous acid

h2so3

806

CH₃COO^-

acetate anion

ch3coo-

807

CH₃ONO

Methyl nitrite

ch3ono

808

NH₂COOH

Carbamic acid

nh2cooh

809

H₃BO₃

Boric acid

h3bo3

810

H₃CO₃⁺

carbonic acid, protonated

h3co3+

811

C₃H₄O

2-Propyn-1-ol

c107197

812

C₃H₄O

allenol

c9000071

813

C₃H₄O

Cyclopropanone

cpone

814

C₃H₄O

Methylketene

c6004440

815

NH₂CONH₂

Urea

urea

816

NH₂CONH₂⁺

Urea cation

urea+

817

NH₂CSNH₂

Thiourea

thiourea

818

C₂H₄O₂

1,3-dioxetane

c2h4o2

819

CH₃COOH

Acetic acid

ch3cooh

820

CH₃OCHO

methyl formate

ch3ocho

821

CHOCH₂OH

hydroxy acetaldehyde

haa

822

NH₂COOH₂⁺

Carbamic acid, O-protonated

nh2cooh2+

823

NH₃COOH⁺

protonated Carbamic acid

nh3cooh+

824

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

825

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

826

HCOOHH₂O

Formic acid water dimer

hcoohh2o

827

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

828

CH₃COCH₂

Acetonyl radical

ch3coch2

829

CH₃CHNOH

Acetaldoxime

acetaldoxime

830

CH₃CONH₂

Acetamide

acetamide

831

HCONHCH₃

N-methylformamide

nmfa

832

CH₅N₂O⁺

urea, N-protonated

ch4n2o+

833

H₂NCOHNH₂⁺

urea, protonated

ureah+

834

C₂H₅OO

ethylperoxy radical

c2h5oo

835

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

836

C₃H₅OH

Cyclopropanol

cproh

837

C₃H₆O

2-Propen-1-ol

c107186

838

C₃H₆O

Oxetane

oxetane

839

C₃H₆O

Propylene oxide

prox

840

CH₃COCH₃^-

acetone anion

ch3coch3-

841

C₃H₆S

Thietane

thietane

842

C₃H₆S

Thiirane, methyl-

methiirane

843

CH₃CSCH₃

Thioacetone

ch3csch3

844

C₂H₆O₂

1,2-Ethanediol

ethdiol

845

CH₃OOCH₃

dimethylperoxide

dmp

846

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

847

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

848

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

849

HOCH₂CH₂NH₂

monoethanolamine

mea

850

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

851

CH₃OC₂H₅

Ethane, methoxy-

etome

852

C₃H₇SH

1-Propanethiol

prsh

853

CH₃CHSHCH₃

2-Propanethiol

isoprsh

854

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

855

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

856

Na₂F₂

Sodium Fluoride Dimer

na2f2

857

Na₂Cl₂

Disodium dichloride

na2cl2

858

C₂F₂

difluoroacetylene

c2f2

859

C₂Cl₂

dichloroacetylene

c2cl2

860

C₂Cl₂⁺

dichloroacetylene cation

c2cl2+

861

FNO₂

Nitryl fluoride

fno2

862

FONO

Nitrosyl hypofluorite

fono

863

ClNO₂

Nitryl chloride

clno2

864

ClONO

chlorine nitrite

clono

865

BrONO

Bromine nitrite

brono

866

N₂F₂

(Z)-Difluorodiazene

n2f2_z

867

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

868

COFCl

Carbonic chloride fluoride

cofcl

869

CCl₂O

Phosgene

cl2co

870

Cl₂CS

Thiophosgene

cl2cs

871

COBr₂

Carbonic dibromide

cobr2

872

BF₃^-

Borane, trifluoro- anion

bf3-

873

AlF₂Cl

Aluminum chloride difluoride

alclf2

874

ScF₃

Scandium trifluoride

ScF3

875

AlFCl₂

Aluminum dichloride fluoride

alcl2f

876

AlCl₃

Aluminum trichloride

alcl3

877

BBr₃

Boron tribromide

bbr3

878

AlBr₃

Aluminum Bromide

albr3

879

ClO₃

Chlorine trioxide

clo3

880

ClO₃^-

chlorate anion

clo3-

881

BrO₃^-

Bromate anion

bro3-

882

CF₃

Trifluoromethyl radical

cf3

883

CF₃^-

Trifluoromethyl anion

cf3-

884

CF₃⁺

Trifluoromethyl cation

cf3+

885

SiF₃

Silicon trifluoride radical

sif3

886

SiF₃⁺

Silicon trifluoride cation

sif3+

887

CCl₃

Trichloromethyl radical

ccl3

888

CCl₃^-

Trichloromethyl anion

ccl3-

889

CCl₃⁺

Trichloromethyl cation

ccl3+

890

SiCl₃

trichlorosilyl radical

sicl3

891

SiCl₃⁺

trichlorosilyl cation

sicl3+

892

FOOF

Perfluoroperoxide

foof

893

F₂SO

Thionyl Fluoride

f2so

894

ClOOCl

Dichlorine dioxide

cloocl

895

FSSF

Difluorodisulfane

fssf

896

S₂F₂

Thio-thionyl fluoride

s2f2

897

SOCl₂

thionyl chloride

socl2

898

SeOCl₂

selenium oxychloride

seocl2

899

NF₃^-

Nitrogen trifluoride anion

nf3-

900

NF₃⁺

Nitrogen trifluoride cation

nf3+

901

PF₃

Phosphorus trifluoride

pf3

902

AsF₃

Arsenic trifluoride

asf3

903

PCl₃

Phosphorus trichloride

pcl3

904

SbF₃

Antimony Trifluoride

sbf3

905

AsCl₃

Arsenous trichloride

ascl3

906

SbCl₃

Antimony Trichloride

sbcl3

907

PBr₃

Phosphorus tribromide

pbr3

908

AsBr₃

Arsenic tribromide

asbr3

909

NI₃

Nitrogen triiodide

ni3

910

PI₃

Phosphorus triiodide

pi3

911

ClSSCl

Disulfur dichloride

s2cl2

912

SF₃

Sulfur trifluoride

sf3

913

ClF₃

Chlorine trifluoride

clf3

914

BrF₃

Bromine trifluoride

brf3

915

IF₃

iodone trifluoride

if3

916

CHF₂Cl

difluorochloromethane

chf2cl

917

CHFCl₂

fluorodichloromethane

chfcl2

918

CDCl₃

trichloromethane-d

cdcl3

919

SiHCl₃

Trichlorosilane

sihcl3

920

CHF₂I

difluoroiodomethane

chf2i

921

CHFClI

fluorochloroiodomethane

chfcli

922

CHCl₂I

dichloroiodomethane

chcl2i

923

CHClBr₂

Methane, dibromochloro-

chclbr2

924

CHBr₃

bromoform

chbr3

925

CHI₃

Iodoform

chi3

926

NF₃H⁺

protonated nitrogen trifluoride

nf3h+

927

C₂H₂F₂

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

c2h2f2e

928

C₂H₂F₂

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

c2h2f2z

929

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

930

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

931

CHClCHCl

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

chclchcle

932

CHClCHCl

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

chclchclz

933

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

934

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

935

CH₃COF

Acetyl fluoride

ch3cof

936

CH₂ClCHO

chloroacetaldehyde

ch2clcho

937

CH₃COCl

Acetyl Chloride

ch3cocl

938

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

ch2fch2cl

939

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

940

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

941

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

942

CH₂CFCH₃

2-fluoropropene

2fpro

943

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

944

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

945

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

946

CH₂ClCH₂OH

2-Chloroethanol

ch2clch2oh

947

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

ch2clch2oh2+

948

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

949

CH₃CH₂CH₂Br

n-propyl bromide

prbr

950

CH₃CHBrCH₃

i-propyl bromide

iprbr

951

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

952

C₅H₅

cyclopentadienyl radical

c5h5

953

C₅H₅^-

cylopentadienyl anion

c5h5-

954

C₅H₆

1,3-Cyclopentadiene

c542927

955

C₅H₆

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

c78808

956

C₅H₆

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

c2004695

957

C₅H₆

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

c1574409

958

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

959

C₅H₆

Cyclopropylacetylene

c6746947

960

C₅H₇

1,3-pentadienyl radical

pdyl

961

C₅H₇

cyclopentenyl radical

cpyl

962

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

963

C₅H₈

1,2-Pentadiene

c591957

964

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

965

C₅H₈

1,3-Pentadiene, (E)-

c2004708

966

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

967

C₅H₈

1,4-Pentadiene

c591935

968

C₅H₈

1-pentyne

a1pentyne

969

C₅H₈

2,3-Pentadiene

c591968

970

C₅H₈

Cyclobutane, methylene-

c1120565

971

C₅H₈

Cyclopentene

c142290

972

C₅H₈

Ethenylcyclopropane

c693867

973

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

974

C₅H₁₀

1-Butene, 2-methyl-

c563462

975

C₅H₁₀

2-Butene, 2-methyl-

c513359

976

C₅H₁₀

2-Pentene, (E)-

c646048

977

C₅H₁₀

2-Pentene, (Z)-

c627203

978

C₅H₁₀

Cyclopentane

c287923

979

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

980

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

981

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

982

C₅H₁₂

Butane, 2-methyl-

buta2

983

C₅H₁₂

Pentane

pentane

984

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

985

Si(CH₃)₄

tetramethylsilane

tms

986

N₂O₃

Dinitrogen trioxide

n2o3

987

C₃H₂N₂

Malononitrile

c3h2n2

988

CH₂N₄

1H-Tetrazole

1htz

989

C₃H₃N₂

imidazolyl radical

990

C₃H₃N₂^-

imidizolyl anion

im-

991

C₂H₃N₃

1H-1,2,4-Triazole

c288880

992

C₄H₄N

pyrrolide radical

c4h4n

993

C₄H₄N^-

pyrrolide anion

c4h4n-

994

C₃H₄N₂

1H-Imidazole

1himidaz

995

C₃H₄N₂

1H-Pyrazole

1hpyraz

996

C₃H₄N₂

4H-Imidazole

imid4h

997

C₄H₅N

(E)-2-Butenenitrile

c627269

998

C₄H₅N

(Z)-2-Butenenitrile

c1190767

999

C₄H₅N

2H-pyrrole

pyrrole2

1000

C₄H₅N

3H-pyrrole

pyrrole3

1001

C₄H₅N

Cyclopropanecarbonitrile

c5500210

1002

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

1003

C₄H₆N⁺

pyrrole, alpha-protonated

appyr

1004

C₄H₆N⁺

pyrrole, beta-protonated

bppyr

1005

C₄H₆N⁺

pyrrole, protonated

ppyr

1006

C₃H₆N₂

3-Aminopropionitrile

c151188

1007

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

1008

CH₃CH₂CH₂CN

Butanenitrile

c109740

1009

C₅H₈

Bicyclo[2.1.0]pentane

c185944

1010

C₅H₈

Spiropentane

c157404

1011

C₄H₉N

Cyclobutylamine

cbam

1012

C₄H₉N

Pyrrolidine

pyrrolidine

1013

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

1014

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

1015

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1016

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1017

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1018

NH(C₂H₅)₂

diethylamine

dea

1019

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1020

C₃O₂⁺

Carbon suboxide cation

c3o2+

1021

MgCO₃

Magnesium Carbonate

mgco3

1022

BeCO₃

Beryllium Carbonate

beco3

1023

CaCO₃

Calcium Carbonate

caco3

1024

ONONO

Nitrosyl nitrite

onono

1025

PO₄^---

phosphate

po4---

1026

SO₄^--

sulfate

so4--

1027

HOONO₂

peroxy nitric acid

hoono2

1028

HSO₄^-

bisulfate anion

hso4-

1029

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1030

C₃H₂O₂

Propiolic acid

c3h2o2

1031

CHOCOOH

oxo acetic acid

oaa

1032

H₂SO₄

Sulfuric acid

h2so4

1033

H₂SeO₄

Selenic acid

h2seo4

1034

C₃H₃NO

Oxazole

oxazole

1035

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1036

CH₃NO₃

Methyl nitrate

ch3no3

1037

H₃PO₄

Phosphoric Acid

h3po4

1038

C₄H₄O⁺

Furan cation

furan+

1039

C₄H₄S

Thiophene

furans

1040

C₃H₄O₂

β–Propiolactone

beta

1041

C₃H₄O₂

2-Propenoic acid

propenoic2

1042

C₃H₄O₂

Methyl glyoxal

megly

1043

C₃H₄O₂

propanedial

1044

C₃H₄O₂

propenalol

1045

HOCHCCHOH

allenediol

aldiol

1046

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1047

C₂H₄O₃

trioxolane124

triox

1048

HOCH₂COOH

Hydroxyacetic acid

hac

1049

CH₂CHCONH₂

Acrylamide

c79061

1050

CH₃OCH₂CN

Methoxyacetonitrile

c1738369

1051

CH₅N₃S

Hydrazinecarbothioamide

c79196

1052

H₂NCH₂COOH

Glycine

glycine

1053

CH₃SO₂NH₂

methanesulfonamide

ch3so2nh2

1054

C₄H₆O

cis-2-butenal

butenal2c

1055

C₄H₆O

Cyclobutanone

cbutone

1056

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1057

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1058

CH₂CHOCHCH₂

Vinyl ether

vinylether

1059

CHOCHCHCH₃

2-Butenal

butenal2

1060

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1061

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1062

CH₂CHSCHCH₂

Divinyl sulfide

divis

1063

C₂H₆N₂O

Urea, methyl-

c598505

1064

C₃H₆O₂

1,3-Dioxolane

dioxolane

1065

CH₃CH₂COOH

Propanoic Acid

propanoic

1066

CH₃COOCH₃

methyl acetate

aame

1067

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1068

C₃H₇NO

dimethylformamide

dmf

1069

C₃H₇NO

Propanamide

propanam

1070

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1071

C₄H₈O

Cyclobutanol

c2919235

1072

C₄H₈O

Furan, tetrahydro-

thf

1073

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1074

CH₃COCH₂CH₃

2-Butanone

buta2one

1075

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1076

CHOCH₂CH₂CH₃

Butanal

butanal

1077

C₃H₈O₂

1,3-Propanediol

c504632

1078

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1079

C₃H₈O₂

Methane, dimethoxy-

c109875

1080

C₃H₈O₂

Propylene glycol

c57556

1081

C₃H₈S₂

1,3-Propanedithiol

c109808

1082

C₄H₁₀O

1-Butanol

butanol1

1083

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1084

C₄H₁₀O

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

butanol2

1085

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1086

C₄H₁₀O

Propane, 2-methoxy-

c598538

1087

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1088

C₂H₅SC₂H₅

Diethyl sulfide

etset

1089

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1090

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1091

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1092

FNO₃

Fluorine nitrate

fno3

1093

ClONO₂

Chlorine nitrate

clono2

1094

BrONO₂

Bromine nitrate

brono2

1095

TiCl₄

Titanium tetrachloride

ticl4

1096

ClO₄^-

perchlorate anion

clo4-

1097

BF₄^-

tetrafluoroboron anion

bf4-

1098

ClFO₃

Perchloryl fluoride

clfo3

1099

SO₂F₂

Sulfuryl fluoride

so2f2

1100

SO₂Cl₂

Sulfuryl chloride

so2cl2

1101

F₃NO

Nitrogen trifluoride oxide

f3no

1102

F₃PO

Phosphoryl fluoride

pf3o

1103

Cl₃PO

Phosphoryl chloride

pcl3o

1104

CF₄

Carbon tetrafluoride

cf4

1105

SiF₄

Silicon tetrafluoride

sif4

1106

TiF₄

Titanium tetrafluoride

tif4

1107

CFCl₃

Trichloromonofluoromethane

cfcl3

1108

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1109

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

1110

SiCl₄

Silane, tetrachloro-

sicl4

1111

CF₃I

trifluoroiodomethane

cf3i

1112

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1113

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1114

GeCl₄

Germanium Tetrachloride

gecl4

1115

CCl₃I

trichloroiodomethane

ccl3i

1116

CFBr₃

fluorotribromomethane

cfbr3

1117

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1118

CF₂I₂

difluorodiiodomethane

cf2i2

1119

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1120

SiBr₄

Silicon tetrabromide

sibr4

1121

CBr₃I

tribromoiododmethane

cbr3i

1122

CI₄

tetraiodomethane

ci4

1123

SiI₄

silicon tetraiodide

sii4

1124

ClOF₃

Chlorine trifluoride oxide

clof3

1125

C₂HF₃

Trifluoroethylene

c2hf3

1126

C₂HF₃⁺

Trifluoroethylene cation

c2hf3+

1127

CHClCCl₂

Trichloroethylene

chclccl2

1128

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1129

HClO₄

perchloric acid

hclo4

1130

HSO₃F

Fluorosulfonic acid

hso3f

1131

CF₃OH

trifluoromethanol

cf3oh

1132

CHClCCHCl

1,3-dichloroallene

chclcchcl

1133

PF₃CH₂

phosphorane, trifluoromethylene-

pf3ch2

1134

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1135

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

1136

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1137

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1138

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1139

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1140

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1141

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1142

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1143

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1144

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1145

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1146

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1147

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1148

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1149

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1150

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1151

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1152

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

bute2cl1

1153

CH₃CClCHCH₃

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

bute2cl2e

1154

CH₃CClCHCH₃

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

bute2cl2z

1155

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1156

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1157

C₄H₉F

1-fluorobutane

butaf1

1158

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1159

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1160

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1161

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1162

XeF₄

Xenon tetrafluoride

xef4

1163

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1164

NH₃BF₃

Amminetrifluoroboron

nh3bf3

1165

C₆H₂

hexatriyne

c6h2

1166

C₆H₄

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

c6h4e

1167

C₆H₄

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

c6h4z

1168

C₆H₄

Benzyne

benzyne

1169

C₆H₅

phenyl

1170

C₆H₅^-

phenyl anion

phenyl-

1171

C₆H₆

2,4-Hexadiyne

hexadiyne

1172

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1173

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

1174

C₆H₆

Trimethylenecycopropane

tmcp

1175

C₆H₆⁺

Benzene cation

c6h6+

1176

C₆H₇⁺

benzene, protonated

c6h7+

1177

C₆H₈

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

c821078

1178

C₆H₈

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

c59660650

1179

C₆H₈

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

hexatri135

1180

C₆H₈

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

hetr234c

1181

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1182

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1183

C₆H₈

3-Methylenecyclopentene

c930267

1184

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1185

C₆H₈

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

c30830207

1186

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1187

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1188

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1189

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1190

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1191

C₆H₁₀

1,5-Hexadiene

c592427

1192

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1193

C₆H₁₀

1-Hexyne

hexyne1

1194

C₆H₁₀

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

hexdi24ee

1195

C₆H₁₀

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

hexdi24ez

1196

C₆H₁₀

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

hexdi24zz

1197

C₆H₁₀

2-Hexyne

c764352

1198

C₆H₁₀

3-Hexyne

hexyne3

1199

C₆H₁₀

cyclohexene

1200

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1201

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1202

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1203

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1204

C₆H₁₂

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

dmcb12t

1205

C₆H₁₂

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

dmcb13t

1206

C₆H₁₂

(E)-2-Hexene

e2hexene

1207

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1208

C₆H₁₂

(E)-hex-3-ene

e3hexene

1209

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1210

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1211

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1212

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1213

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1214

C₆H₁₂

3-methylenepentane

c760214

1215

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1216

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1217

C₆H₁₂

Cyclohexane

cyclohexane

1218

C₆H₁₂

Cyclopentane, methyl-

c96377

1219

C₆H₁₂

Ethylcyclobutane

c4806615

1220

C₆H₁₂

hex-1-ene

hexene1

1221

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1222

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1223

C₆H₁₄

Hexane

hexane

1224

C₆H₁₄

Pentane, 2-methyl-

penta2

1225

C₆H₁₄

Pentane, 3-methyl-

penta3

1226

C₄N₂

2-Butynedinitrile

c4n2

1227

C₄H₂N₂

Fumaronitrile

c4h2n2

1228

C₂H₂N₄

sym-tetrazine

ttz

1229

C₃H₃N₃

1,3,5-Triazine

triazine135

1230

CH₃N₅

5-Aminotetrazole

c4418615

1231

C₄H₄N₂

1,3-Diazine

diazine13

1232

C₄H₄N₂

Pyrazine

pyrazine

1233

C₄H₄N₂

Pyridazine

pyridazine

1234

C₄H₄N₂

Succinonitrile

c110612

1235

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1236

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1237

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1238

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1239

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1240

C₅H₅N

Pyridine

pyridine

1241

B₃N₃H₆

borazine

1242

C₆H₆

Fulvene

fulvene

1243

C₅H₆N⁺

Pyridinium

c5h6n

1244

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1245

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1246

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1247

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1248

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1249

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1250

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1251

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1252

C₅H₉N

Pentanenitrile

c110598

1253

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1254

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1255

C₅H₁₁N

Cyclopentanamine

cypentam

1256

C₅H₁₁N

Piperidine

piper

1257

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1258

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1259

Li₂CO₃

Lithium Carbonate

li2co3

1260

Na₂CO₃

Sodium Carbonate

na2co3

1261

C₂O₄^--

oxalate anion

c2o4

1262

MgSO₄

Magnesium Sulfate

mgso4

1263

C₂H₂O₄

Oxalic Acid

oxalic

1264

C₂H₃NO₃

Oxamic acid

oxamic

1265

C₄H₄O₂

2(5H)-Furanone

furanone

1266

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1267

C₂H₄N₂O₂

Oxalamide

oxalamide

1268

C₂H₄N₂S₂

Ethanedithioamide

c79403

1269

C₂H₄CO₃

Ethylene carbonate

etco3

1270

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1271

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1272

C₂H₄O₄

Formic acid dimer

fadimer

1273

C₄H₅NO

3-Methylisoxazole

isox3m

1274

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1275

C₄H₅NS

4-Methylthiazole

c693958

1276

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1277

C₅H₆O

2-methylfuran

furan2m

1278

C₅H₆O

3-Methylfuran

furan3m

1279

C₅H₆S

Thiophene, 2-methyl-

c554143

1280

C₅H₆S

Thiophene, 3-methyl-

c616444

1281

C₄H₆O₂

2,3-Butanedione

c431038

1282

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1283

C₄H₆O₂

Crotonic Acid

crot

1284

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1285

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1286

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1287

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1288

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1289

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1290

C₄H₆OS

Vinyl sulfoxide

c1115157

1291

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1292

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1293

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1294

C₃H₆S₃

1,3,5-Trithiane

c3h6s3

1295

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1296

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1297

C₄H₇NO

2-Pyrrolidinone

c616455

1298

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1299

C₄H₇NO

Methacrylamide

c79390

1300

C₄H₇NO

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

c1120645

1301

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1302

C₃H₇ONO

Propyl nitrite

prono

1303

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1304

CH₃CH(NH₂)COOH

Alanine

alanine

1305

CH₃NHCH₂COOH

Sarcosine

sarcosine

1306

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1307

NH₂COOC₂H₅

Urethane

urethane

1308

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1309

C₅H₈O

Cyclopentanone

c120923

1310

C₅H₈O

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

c1487156

1311

C₅H₈O

Methyl cyclopropyl ketone

c765435

1312

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1313

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

1314

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1315

C₄H₈O₂

1,3-Dioxane

dioxan13

1316

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1317

C₄H₈O₂

1,4-Dioxane

dioxan14

1318

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1319

C₄H₈OS

s-Ethyl thioacetate

c625605

1320

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1321

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1322

C₄H₉NO

Butanamide

c541355

1323

C₄H₉NO

Propanamide, 2-methyl-

c563837

1324

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1325

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1326

C₅H₁₀O

2-methylbutyraldehyde

2meba

1327

C₅H₁₀O

2-Pentanone

mpk

1328

C₅H₁₀O

Cyclopentanol

c96413

1329

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1330

C₅H₁₀O

Pentanal

pal

1331

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1332

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1333

C₅H₁₀S

Cyclopentanethiol

c1679078

1334

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1335

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1336

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1337

C₄H₁₀O₂

1,3-Butanediol

budiol13

1338

C₄H₁₀O₂

1,4-Butanediol

budiol14

1339

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1340

C₄H₁₀OS

Diethyl sulfoxide

c70291

1341

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1342

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1343

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1344

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1345

C₅H₁₂O

1-Pentanol

pentanol1

1346

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1347

C₅H₁₂O

2-Pentanol

peol2

1348

C₅H₁₂O

3-Pentanol

pentan3ol

1349

C₅H₁₂O

Butane, 1-methoxy-

meobu

1350

C₅H₁₂O

Propane, 1-ethoxy-

proet

1351

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1352

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1353

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1354

C₅H₁₂S

1-Pentanethiol

c110667

1355

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1356

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1357

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1358

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1359

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1360

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1361

C₅H₁₂S

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

c6163640

1362

ClCOClCO

Oxalyl chloride

oxcl

1363

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1364

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1365

B₂F₄

Diboron tetrafluoride

b2f4

1366

B₂Cl₄

Diboron tetrachloride

b2cl4

1367

C₂F₄

Tetrafluoroethylene

c2f4

1368

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1369

CF₂CCl₂

difluorodichloroethylene

cf2ccl2

1370

CFClCClF

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

cfclcclf

1371

CFClCFCl

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

cfclcfcl

1372

C₂FCl₃

fluorotrichloroethene

c2fcl3

1373

C₂Cl₄

Tetrachloroethylene

c2cl4

1374

CF₃OF

Trifluoromethylhypofluorite

cf3of

1375

SOF₄

Sulfur tetrafluoride oxide

sof4

1376

AsF₅

Arsenic pentafluoride

asf5

1377

PCl₅

Phosphorus pentachloride

pcl5

1378

SF₅

Sulfur pentafluoride

sf5

1379

SF₅⁺

pentafluoro sulfur cation

sf5+

1380

SbCl₅

Antimony pentachloride

sbcl5

1381

BrF₅

bromine pentafluoride

brf5

1382

ClF₅

chlorinepentafluoride

clf5

1383

IF₅

pentafluoroiodine

if5

1384

CF₃CHO

trifluoroacetaldehyde

cf3cho

1385

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1386

CHFClCHClF

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

chfclchclf

1387

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1388

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1389

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1390

CHFClCHFCl

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

chfclchfcl

1391

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

ch2clccl3

1392

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

1393

CF₃COOH

trifluoroacetic acid

cf3cooh

1394

C₄H₃ClO

Furan, 2-chloro

fur2cl

1395

C₄H₃ClO

Furan,3-chloro

fur3cl

1396

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1397

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1398

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1399

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1400

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1401

C₄H₈Cl₂

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

c2211678

1402

C₄H₈Cl₂

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

c4028562

1403

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1404

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1405

C₄H₈O₂

Butanoic acid

bua

1406

C₆H₅CH₂

benzyl radical

benzyl

1407

C₆H₅CH₃

toluene

1408

C₇H₈

cycloheptatriene

cht

1409

C₇H₈

Norbornadiene

norbor

1410

C₇H₈

Quadricyclane

qucy

1411

C₇H₁₂

Norbornane

nor

1412

C₇H₁₄

cycloheptane

c7h14

1413

C₇H₁₆

2-methylhexane

2mhex

1414

C₇H₁₆

3-methylhexane

hex3m

1415

C₇H₁₆

heptane

1416

C₆H₇N

2-Methylpyridine

1417

C₆H₅NH₂

aniline

1418

C₆H₁₃N

2-Methylpiperidine

pip2m

1419

C₆H₁₃N

cyclohexanamine

cham

1420

C₆H₁₅N

triethylamine

tea

1421

N₂O₅

Dinitrogen pentoxide

n2o5

1422

C₄H₂O₃

Maleic Anhydride

malan

1423

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1424

C₆H₅O

phenoxy radical

phenoxy

1425

C₅H₅NO

2(1H)-Pyridinone

c72762006

1426

C₅H₅NO

2(3H)-Pyridinone

c9000048

1427

C₅H₅NO

2(5H)-Pyridinone

c9000037

1428

C₅H₅NO

2-Pyridinol

c109104

1429

C₅H₅NO

3(2H)-Pyridinone

c9000004

1430

C₅H₅NO

3(4H)-Pyridinone

c9000026

1431

C₅H₅NO

3(6H)-Pyridinone

c9000015

1432

C₅H₅NO

3-Pyridinol

c109002

1433

C₅H₅NO

4(1H)-Pryidinone

c9000060

1434

C₅H₅NO

4(3H)-Pryidinone

c9000059

1435

C₅H₅NO

4-Pyridinol

c626642

1436

C₆H₅OH

phenol

1437

C₆H₆O

2,4-Cyclohexadienone

c24599573

1438

C₆H₆O

2,5-Cyclohexadienone

c5664335

1439

C₆H₅SH

Benzenethiol

phsh

1440

HO₂CCHNH₂CH₂OH

Serine

serine

1441

C₅H₈O₂

Acetylacetone

acac

1442

C₄H₈O₂S

Sulfolane

sulfolane

1443

C₇H₁₀

Norbornene

norbornene

1444

CH(C₂H₃)₃

trivinyl methane

tvm

1445

C₆H₁₀O

cyclohexanone

chexo

1446

C₆H₁₂O

hexanal

c6h12o

1447

C₃H₇OC₃H₇

di-n-propyl ether

propr

1448

CF₃COO^-

trifluoro acetate anion

cf3coo-

1449

CF₃COF

trifluoroacetyl fluoride

cf3cof

1450

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1451

PF₆

Hexafluorophosphate neutral

pf6

1452

PF₆^-

Hexafluorophosphate ion

pf6-

1453

SeF₆

Selenium hexafluoride

sef6

1454

SF₅Cl

sulfur chloropentafluoride

sf5cl

1455

CF₃CHF₂

pentafluoroethane

cf3chf2

1456

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1457

CF₃CHCl₂

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

cf3chcl2

1458

CHCl₂CClF₂

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

chcl2cclf2

1459

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1460

C₆H₅F

Fluorobenzene

bzf

1461

C₆H₅Cl

chlorobenzene

bzcl

1462

C₆H₅Br

bromobenzene

bzbr

1463

C₈H₆

Calicene

calicene

1464

C₆H₅CCH

phenylacetylene

phac

1465

C₈H₆

benzocyclobutadiene

bcbd

1466

C₈H₆

Pentalene

pentalene

1467

C₆H₅CHCH₂

Styrene

styrene

1468

C₈H₈

cyclooctatetraene

cot

1469

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1470

CH₃C₆H₄CH₃

meta-xylene

mxylene

1471

CH₃C₆H₄CH₃

paraxylene

pxylene

1472

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1473

C₈H₁₆

cyclooctane

cyclooct

1474

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1475

C₈H₁₈

Octane

c8h18

1476

C₆H₅CN

phenyl cyanide

phcn

1477

C₆H₁₂N₂

Triethylenediamine

ted

1478

C₄O₄^--

squarate dianion

c4o4--

1479

S₈

Octasulfur

1480

C₆H₄O₂

parabenzoquinone

pbq

1481

C₄H₄N₂O₂

Uracil

uracil

1482

C₆H₅OCH₃

Anisole

anisole

1483

C₅H₉NO₂

Proline

proline

1484

C₆H₁₂O₂

Methyl pivalate

c598981

1485

C₆H₁₂O₂

Hexanoic acid

hexa

1486

C₄F₄

tetrafluorcyclobutadiene

c4f4

1487

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1488

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1489

CF₂ClCF₂Cl

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

cf2clcf2cl

1490

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1491

CF₂ClCFCl₂

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

cf2clcfcl2

1492

CF₃CCl₃

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

cf3ccl3

1493

C₂F₆

hexafluoroethane

c2f6

1494

C₂Cl₆

hexachloroethane

c2cl6

1495

IF₇

Iodine heptafluoride

if7

1496

C₆H₄F₂

metadifluorobenzene

mdfb

1497

C₆H₄F₂

orthodifluorobenzene

odfb

1498

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1499

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1500

C₉H₈

Indene

indene

1501

C₉H₈

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

snt

1502

C₉H₁₂

n-propyl benzene

prbz

1503

C₉H₂₀

Nonane

nonane

1504

C(CN)₄

tetracyanomethane

c5n4

1505

C₅H₄N₄

purine

1506

C₈H₇N

Indole

indole

1507

C₃H₃N₃O₃

cyanuric acid

cyanuric

1508

C₆H₅NO₂

Nitrobenzene

c6h5no2

1509

C₆H₅COOH

benzoic acid

benzo

1510

CH₃COC₆H₅

acetophenone

acph

1511

C₃Cl₃N₃

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

c3cl3n3

1512

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1513

C₁₀H₈

Azulene

azu

1514

C₁₀H₈

naphthalene

naph

1515

C₁₀H₁₆

adamantane

1516

C₆N₄

Tetracyanoethylene

tcne

1517

C₆N₄^-

tetracyanoethylene anion

tcne-

1518

C₁₀H₂₂

Decane

decane

1519

C₄F₆

perfluorobutadiene

c4f6

1520

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1521

C₃F₈

perfluoropropane

c3f8

1522

Fe(CO)₅

Iron pentacarbonyl

ipc

1523

Fe(C₅H₅)₂

ferrocene

fecp2

1524

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1525

C₁₂H₈

Acenaphthylene

acenaph

1526

C₁₂H₈

biphenylene

biph

1527

C₁₂H₁₀

biphenyl

1528

C₁₂H₁₀

Heptalene

heptalene

1529

C₆H₁₂O₆

Inositol

inositol

1530

C₆F₆

hexafluorobenzene

c6f6

1531

S₂F₁₀

disulphur decafluoride

s2f10

1532

C₁₄H₁₀

Anthracene

anth

1533

C₁₄H₁₀

Phenanthrene

phenanthrene

1534

C₁₂H₁₀N₂

azobenzene

1535

C₆H₅COC₆H₅

benzophenone

1536

C₁₆H₁₀

Pyrene

pyrene

1537

C₁₈H₁₂

Tetracene

tetracene

1538

C₁₉H₁₆

Triphenylmethane

tpm

1539

C₂₄H₁₂

Coronene

coronene

1540

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. 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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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