CCCBDB List of Species with completed calculations

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List of which calculations are completed at CISD /cc-pVTZ

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count	Species	Name	State	Conformation
1	D	Deuterium atom	¹S	K_h
2	H	Hydrogen atom	¹S	K_h
3	H⁺	Hydrogen atom cation		K_h
4	D₂	Deuterium diatomic	¹Σ_g	D_∞h
5	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
6	HD	Deuterium hydride	¹Σ_g	D_∞h
7	He	Helium atom	¹S	K_h
8	He	Helium atom
9	He⁺	Helium atom cation	²S	K_h
10	HeH⁺	Helium hydride cation	¹Σ	C_∞v
11	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
12	Li	Lithium atom	²S	K_h
13	Na	Sodium atom	²S	K_h
14	LiH	Lithium Hydride	¹Σ	C_∞v
15	Be	Beryllium atom	¹S	K_h
16	Be⁺	Beryllium atom cation	²S	K_h
17	Mg	Magnesium atom	¹S	K_h
18	Mg⁺	Magnesium atom cation	²S	K_h
19	Ca	Calcium atom	¹S	K_h
20	MgH	magnesium monohydride	²Σ	C_∞v
21	ZnH⁺	Zinc, protonated
22	BeH₂⁺	Beryllium dihydride cation
23	B	Boron atom	²P	K_h
24	B	Boron atom	⁴P	K_h
25	B⁺	Boron atom cation	¹S	K_h
26	Al	Aluminum atom	²P	K_h
27	Al^-	Aluminum atom anion	³P	K_h
28	Al⁺	Aluminum atom cation	¹S	K_h
29	Ga	Gallium atom	²P
30	Ga^-	Gallium atom anion	³P	O_h
31	Ga⁺	Gallium atom cation	¹S
32	BH	Boron monohydride	¹Σ	C_∞v
33	AlH	aluminum monohydride	¹Σ	C_∞v
34	GaH	Gallium monohydride	¹Σ	C_∞v
35	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
36	BH₂	boron dihydride	²A₁	C_2v
37	AlH₂	aluminum dihydride	²A₁	C_2v
38	BH₃	boron trihydride	¹A₁^'	D_3h
39	BH₃⁺	boron trihydride cation	²B₂	C_2v
40	BH₃⁺	boron trihydride cation		C_2v
41	AlH₃	aluminum trihydride	¹A₁^'	D_3h
42	AlH₃^-	aluminum trihydride anion		C_3v
43	BH₄^-	borohydride anion	¹A₁	T_d
44	C	Carbon atom	³P₀	K_h
45	C	Carbon atom	³P₁	K_h
46	C⁺	Carbon atom cation	²P	K_h
47	Si	Silicon atom	³P	K_h
48	Si	Silicon atom	¹S	K_h
49	Si^-	Silicon atom anion	⁴S	K_h
50	Si⁺	Silicon atom cation	²P	K_h
51	Ge	Germanium atom	³P	K_h
52	Ge^-	Germanium anion	⁴S	K_h
53	Ge⁺	Germanium cation	²P	K_h
54	CH	Methylidyne	²Π_1/2	C_∞v
55	SiH	Silylidyne	²Π	C_∞v
56	GeH	germylidene	²Π	C_∞v
57	CH₂	Methylene	³B₁	C_2v
58	CH₂^-	methylene anion	²B₁	C_2v
59	SiH₂	silicon dihydride	¹A₁	C_2v
60	GeH₂	germylene	¹A₁	C_2v
61	CH₃	Methyl radical	²A₁	D_3h
62	CH₃⁺	methyl cation	¹A₁^'	D_3h
63	SiH₃	Silyl radical	²A₁	C_3v
64	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
65	GeH₃	Germyl radical	²A₁	C_3v
66	GeH₃⁺	germyl cation	¹A₁^'	D_3h
67	CH₄	Methane	¹A₁	T_d
68	SiH₂D₂	silane-d2
69	SiH₄	Silane	¹A₁	T_d
70	GeH₄	Germane	¹A₁	T_d
71	SiH₅⁺	Silane, protonated
72	N	Nitrogen atom	⁴S	K_h
73	N⁺	Nitrogen atom cation	³P	K_h
74	P	Phosphorus atom	⁴S	K_h
75	As	Arsenic atomic	⁴S	K_h
76	As^-	Arsenic anion	³P	K_h
77	As⁺	Arsenic cation	³P	K_h
78	NH	Imidogen	³Σ^-	C_∞v
79	PH	phosphorus monohydride	³Σ^-	C_∞v
80	AsH	Arsenic monohydride	³Σ	C_∞v
81	ND₂	Amidogen-d2	²B₁	C_2v
82	NH₂	Amino radical	²B₁	C_2v
83	NH₂⁺	Amino cation	³B₁	C_2v
84	NH₂⁺	Amino cation	¹A₁	C_2v
85	PH₂	Phosphino radical	²B₁	C_2v
86	ND₃	Ammonia-d3	¹A₁	C_3v
87	NH₃	Ammonia	¹A₁	C_3v
88	PH₃	Phosphine	¹A₁	C_3v
89	PH₃⁺	Phosphine cation	²A₁	C_3v
90	AsH₃	Arsine	¹A₁	C_3v
91	AsH₃⁺	Arsine cation	²A₁	C_3v
92	AsH₄⁺	Arsonium
93	NH₄	Ammonium radical
94	PH₄	Phosphoranyl radical
95	O	Oxygen atom	³S	K_h
96	O⁺	Oxygen atom cation	⁴S	K_h
97	S	Sulfur atom	³P	K_h
98	S	Sulfur atom
99	Se	Selenium atom	³P	K_h
100	Se^-	Selenium atom anion	²P	K_h
101	Se⁺	Selenium atom cation	⁴S	K_h
102	DO	Hydroxyl-d	²Π	C_∞v
103	OH	Hydroxyl radical	²Π	C_∞v
104	OH⁺	hydoxyl cation	³Σ	C_∞v
105	DS	Mercapto-d	²Π	C_∞v
106	HS	Mercapto radical	²Π	C_∞v
107	HS^-	mercapto anion	¹Σ	C_∞v
108	HS⁺	sulfur monohydride cation	³Σ	C_∞v
109	HSe	Selenium monohydride	²Π	C_∞v
110	HSe^-	selenium monohydride anion	¹Σ	C_∞v
111	HSe⁺	selenium monohydride cation	³Σ	C_∞v
112	D₂O	Deuterium oxide	¹A₁	C_2v
113	H₂O	Water	¹A₁	C_2v
114	H₂O^-	water anion	²A₁	C_2v
115	H₂O^-	water anion	²A^'	C_s
116	H₂O⁺	water cation	²B₁	C_2v
117	HDO	Water-d1	¹A₁	C_2v
118	D₂S	Hydrogen sulfide-d2	¹A₁	C_2v
119	H₂S	Hydrogen sulfide	¹A₁	C_2v
120	H₂Se	Hydrogen selenide	¹A₁	C_2v
121	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
122	H₃S⁺	Sulfonium cation	¹A₁	C_3v
123	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
124	F	Fluorine atom	²P	K_h
125	F⁺	Fluorine atom cation	³S	K_h
126	Cl	Chlorine atom	²P	K_h
127	Cl⁺	Chlorine atom cation	³P	K_h
128	Br	Bromine atom	²P	K_h
129	Br^-	Bromine atom anion	¹S	K_h
130	Br⁺	Bromine atom cation	³P	K_h
131	DF	Hydrofluoric acid-d	¹Σ	C_∞v
132	HF	Hydrogen fluoride	¹Σ	C_∞v
133	HF^-	hydrogen fluoride anion	²Σ	C_∞v
134	HF⁺	hydrogen fluoride cation	²Π	C_∞v
135	DCl	Hydrochloric acid-d	¹Σ	C_∞v
136	HCl	Hydrogen chloride	¹Σ	C_∞v
137	HCl^-	hydrogen chloride anion	²Σ	C_∞v
138	HCl⁺	hydrogen chloride cation	²Π	C_∞v
139	HBr	hydrogen bromide	¹Σ	C_∞v
140	HBr^-	hydrogen bromide anion	²Σ	C_∞v
141	HBr⁺	hydrogen bromide cation	²Π	C_∞v
142	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
143	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
144	Ne	Neon atom	¹S	K_h
145	Ne	Neon atom
146	Ne⁺	Neon atom cation	²P	K_h
147	Ar	Argon atom	¹S	K_h
148	Kr	Krypton atom	¹S	K_h
149	Kr⁺	Krypton cation	²P	K_h
150	HeLi⁺	Helium Lithium cation
151	ArH⁺	Argon hydride cation	¹Σ	C_∞v
152	KrH⁺	Protonated Krypton	¹Σ	C_∞v
153	NaLi	lithium sodium	¹Σ	C_∞v
154	Na₂	Sodium diatomic	¹Σ_g	D_∞h
155	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
156	LiAl	Lithium Aluminum
157	HBBH	Diborane(2)	³Σ_G	D_∞h
158	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
159	B₂H₆	Diborane	¹A_g	D_2h
160	B₂H₆⁺	Diborane cation
161	CaC	Calcium monocarbide
162	BSi	Boron silicide	⁴Σ	C_∞v
163	BSi	Boron silicide	²Σ	C_∞v
164	Si₂	Silicon diatomic	³Σ_g	D_∞h
165	GeC	Germanium monocarbide	¹Σ	C_∞v
166	SiGe	Silicon Germanium
167	C₂H^-	Ethynyl anion	¹Σ	C_∞v
168	C₂H₂	Acetylene	¹Σ_g	D_∞h
169	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
170	C₂H₂⁺	acetylene cation
171	H₂CC^-	vinylidene anion
172	HCCH^-	acetylene anion
173	HCCH^-	acetylene anion
174	Si₂H₂	disilyne
175	Si₂H₂	disilyne
176	Si₂H₂	disilyne
177	Si₂H₂	disilyne
178	CH₃Li	methyl lithium	¹A₁	C_3v
179	C₂H₃	vinyl	²A^'	C_s
180	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
181	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
182	C₂H₄	Ethylene	¹A_g	D_2h
183	Si₂H₄	Disilene
184	Si₂H₄	Disilene
185	Si₂H₄	Disilene
186	C₂H₅	Ethyl radical	²A^'	C_s
187	C₂H₆	Ethane	¹A_1g	D_3d
188	Si₂H₆	disilane	¹E_u	D_3d
189	LiN	Lithium Nitride	³Σ	C_∞v
190	LiP	Lithium monophosphide
191	LiP	Lithium monophosphide
192	MgN	Magnesium Nitride
193	MgN	Magnesium Nitride
194	GaAs	Gallium arsenide	³Π
195	GaAs	Gallium arsenide	¹Σ
196	BN	boron nitride	³Π	C_∞v
197	AlN	Aluminum nitride	³Π_i	C_∞v
198	CN	Cyano radical	²Σ	C_∞v
199	SiP	Silicon monophosphide	²Π	C_∞v
200	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
201	N₂	Nitrogen diatomic
202	PN	Phosphorus mononitride	¹Σ	C_∞v
203	HCN	Hydrogen cyanide	¹Σ	C_∞v
204	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
205	HNC⁺	hydrogen isocyanide cation
206	HCP⁺	Phosphaethyne cation
207	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
208	LiNH₂	lithium amide
209	HBNH	Boranimine	¹Σ	C_∞v
210	H₂NN	Isodiazene
211	CH₂NH	Methanimine	¹A^'	C_s
212	CH₂NH⁺	Methanimine cation
213	CHNH₂	aminomethylene
214	CHNH₂⁺	Aminocarbene cation
215	BH₂NH₂	Boranamine
216	CH₃NH₂	methyl amine	¹A^'	C_s
217	SiH₃NH₂	Silane, amino
218	BH₃PH₃	borane phosphine
219	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
220	N₂H₇⁺	ammonia ammonium dimer
221	LiSe	Lithium monoselenide
222	CaO	Calcium monoxide	¹Σ	C_∞v
223	CaS	Calcium sulfide	¹Σ	C_∞v
224	BO	boron monoxide	²Σ	C_∞v
225	BO^-	boron monoxide anion	¹Σ	C_∞v
226	GaO	Gallium monoxide	²Σ	C_∞v
227	GaS	Gallium monosulfide
228	CO	Carbon monoxide	¹Σ	C_∞v
229	CO⁺	carbon monoxide cation	²Σ	C_∞v
230	CS	carbon monosulfide	¹Σ	C_∞v
231	SiO	Silicon monoxide	¹Σ	C_∞v
232	SiS	silicon monosulfide	¹Σ	C_∞v
233	CSe	Carbon monoselenide	¹Σ	C_∞v
234	GeO	Germanium monoxide	¹Σ	C_∞v
235	SiSe	Silicon Monoselenide
236	SiSe⁺	Silicon Monoselenide cation
237	GeSe	Germanium monoselenide
238	NO	Nitric oxide	²Π	C_∞v
239	NO^-	nitric oxide anion	³Σ	C_∞v
240	NO⁺	nitric oxide cation	¹Σ	C_∞v
241	PS	phosphorus sulfide	²Σ	C_∞v
242	O₂	Oxygen diatomic	³Σ_g	D_∞h
243	O₂^--	dioxygen dianion
244	SO	Sulfur monoxide	³Σ	C_∞v
245	SO	Sulfur monoxide	¹Σ	C_∞v
246	SO⁺	sulfur monoxide cation	²Π	C_∞v
247	S₂	Sulfur diatomic	³Σ_g	D_∞h
248	SeO	Selenium monoxide	³Σ	C_∞v
249	Se₂	Selenium diatomic	³Σ_g	D_∞h
250	LiOH	lithium hydroxide	¹Σ	C_∞v
251	BeOH	beryllium monohydroxide	²A^'	C_s
252	HBO	Boron hydride oxide	¹Σ	C_∞v
253	HBS	hydrogen boron sulfide	¹Σ	C_∞v
254	COH	Hydroxymethylidyne
255	HCO	Formyl radical	²A^'	C_s
256	HCO^-	formyl anion	¹A^'	C_s
257	HCO⁺	Formyl cation	¹Σ	C_∞v
258	HNO	Nitrosyl hydride	¹A^'	C_s
259	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
260	HO₂	Hydroperoxy radical	²A^"	C_s
261	HSO⁺	Sulfur Monoxide, S-protonated
262	SOH	Sulfur Hydroxide
263	SOH⁺	Sulfur Monoxide, protonated
264	H₂CO	Formaldehyde	¹A₁	C_2v
265	H₂CO^-	formaldehyde anion	²A^'	C_s
266	H₂CO^-	formaldehyde anion
267	H₂CO⁺	formaldehyde cation	²B₂	C_2v
268	H₂CS	Thioformaldehyde	¹A₁	C_2v
269	H₂CS^-	thioformaldehyde anion
270	H₂CS^-	thioformaldehyde anion
271	H₂CSe	Selenoformaldehyde
272	H₂O₂	Hydrogen peroxide	¹A	C₂
273	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
274	H₂OO	water oxide
275	HOSH	hydrogen thioperoxide
276	H₂Se₂	hydrogen diselenide
277	NH₂OH	hydroxylamine	¹A^'	C_s
278	NH₂OH⁺	Hydroxylamine cation
279	NH₂SH	Thiohydroxylamine
280	NH₂SH	Thiohydroxylamine
281	NH₃S	sulfidoazane
282	CH₃OH	Methyl alcohol	¹A^'	C_s
283	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
284	SiH₃OH	silanol
285	NH₂OH₂⁺	protonated hydroxylamine
286	NH₃OH⁺	N-protonated hydroxylamine
287	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
288	LiF	lithium fluoride	¹Σ	C_∞v
289	LiCl	lithium chloride	¹Σ	C_∞v
290	NaF⁺	sodium fluoride cation	²Σ	C_∞v
291	LiBr	Lithium Bromide	¹Σ	C_∞v
292	LiF⁺	lithium fluoride cation	²Π	C_∞v
293	CaBr	Calcium monobromide
294	BF	Boron monofluoride	¹Σ	C_∞v
295	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
296	GaF	Gallium monofluoride	¹Σ	C_∞v
297	AlBr	Aluminum monobromide
298	GaCl	Gallium monochloride	¹Σ_G	C_∞v
299	GaBr	Gallium monobromide
300	CF	Fluoromethylidyne	²Π	C_∞v
301	CF^-	carbon monofluoride anion	³Σ	C_∞v
302	SiCl	Clorosilylidyne	²Π	C_∞v
303	CBr	Carbon monobromide	²Π	C_∞v
304	GeF	Germanium monofluoride	²Π	C_∞v
305	GeCl	Germanium monochloride	²Π	C_∞v
306	GeCl⁺	Germanium monochloride cation
307	SiBr	Silicon monobromide	²Π	C_∞v
308	SiBr⁺	Silicon monobromide cation
309	NCl	nitrogen monochloride	³Σ	C_∞v
310	PBr	Phosphorus monobromide
311	ClO	Monochlorine monoxide	²Π	C_∞v
312	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
313	SF	Monosulfur monofluoride	²Π	C_∞v
314	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
315	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
316	BrO	Bromine monoxide	²Π	C_∞v
317	BrO⁺	Bromine monoxide cation
318	SBr	Sulfur monobromide radical
319	SBr⁺	Sulfur monobromide cation
320	SeBr	Selenium monobromide
321	BrCl	Bromine monochloride	¹Σ	C_∞v
322	F₂	Fluorine diatomic	¹Σ_g	D_∞h
323	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
324	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
325	ClF⁺	clorine monofluoride cation	²Π	C_∞v
326	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
327	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
328	BrF	Bromine monofluoride	¹Σ	C_∞v
329	Br₂	Bromine diatomic	¹Σ_g	D_∞h
330	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
331	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
332	HCF	Fluoromethylene	¹A^'	C_s
333	HCF	Fluoromethylene	³A^"	C_s
334	HSiF	fluorosilylene
335	HSiCl	Chlorosilylene
336	HSiBr	monobromosilylene
337	HOF	Hypofluorous acid	¹A^'	C_s
338	HOCl	hypochlorous acid	¹A^'	C_s
339	HOCl⁺	hypochlorous acid cation
340	F₂H⁺	Fluorine, protonated	¹A^'	C_s
341	ClFH⁺	Chlorine fluoride, F-protonated
342	FClH⁺	Chlorine fluoride, Cl-protonated
343	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
344	CH₂Br	bromomethyl radical
345	CH₂F	fluoromethyl radical	²A	C_s
346	CH₂F⁺	fluoromethyl cation
347	CH₂Cl⁺	chloromethyl cation
348	CH₂Cl	chloromethyl radical	²A^'	C_s
349	CH₂Cl	chloromethyl radical	²B₁	C_2v
350	NH₂Cl	chloramine	¹A^'	C_s
351	CH₃F⁺	methyl fluoride cation
352	CH₃Cl	Methyl chloride	¹A₁	C_3v
353	SiH₃F	monofluorosilane	¹A₁	C_3v
354	SiH₃Cl	chlorosilane	¹A₁	C₁
355	CH₃Br	methyl bromide	¹A₁	C_3v
356	GeH₃F	monofluorogermane
357	GeH₃Cl	monochlorogermane
358	NH₃Cl⁺	protonated monochloroammonia
359	CH₃ClH⁺	methyl chloride, protonated
360	NH₄Cl	Ammonium chloride
361	LiNe⁺	Lithium Neon cation
362	Ar₂	Argon diatomic	¹S_g	D_∞h
363	C₃	carbon trimer	¹Σ_g	D_∞h
364	C₃	carbon trimer	¹A₁	C_2v
365	SiC₂	Silicon dicarbide
366	C₃H₄	cyclopropene	¹A₁	C_2v
367	CH₂CCH₂	allene	¹A₁	D_2d
368	CH₃CCH	propyne	¹A^'	C_3v
369	C₃H₅	Allyl radical	²A₂	C_2v
370	C₃H₆	Cyclopropane	¹A₁^'	D_3h
371	CH₂CHCH₃	Propene	¹A^'	C_s
372	C₃H₇	n-Propyl radical	²A^"	C₁
373	CH₃CHCH₃	Isopropyl radical	²A	C₂
374	C₃H₈	Propane	¹A₁	C_2v
375	Si₃H₈	trisilane
376	ZnCN	Zinc monocyanide	²Σ	C_∞v
377	ZnNC	Zinc isocyanide	²Σ	C_∞v
378	AlCN	Aluminum monocyanide
379	AlNC	Aluminum isocyanide
380	CNN	Diazocarbene
381	HN₃	hydrogen azide	¹A^'	C_s
382	HN₃⁺	Hydrazoic acid cation
383	HNCNH	diiminomethane	¹A	C₂
384	HNNNH⁺	1,2-Triazadienium
385	NH₂NN⁺	hydrazoic acid, protonated
386	CH₃CN	Acetonitrile	¹A₁	C_3v
387	CH₃CN^-	acetonitrile anion	²E	C_3v
388	CH₃CN^-	acetonitrile anion	²A^'	C_s
389	CHNCH₂	2H-Azirine
390	CHNHCH	1H-Azirine
391	H₂CCNH	Ethenimine
392	H₂CNCH	methyleneaminomethylene
393	HCCNH₂	Ethynamine
394	HCNCH₂⁺	2H-Azirine cation
395	NH₂CNH⁺	cyanamide, cn protonated
396	NH₃CN⁺	cyanamide, amine protonated
397	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
398	CH₃CH₂NH₂	Ethylamine
399	Na₂S	Sodium sulfide
400	Na₂S	Sodium sulfide
401	LiO₂	Lithium dioxide
402	NaO₂	Sodium superoxide
403	NCO	isocyanato radical	²Π	C_∞v
404	N₂O	Nitrous oxide	¹Σ	C_∞v
405	CO₂	Carbon dioxide	¹Σ_g	D_∞h
406	OCS	Carbonyl sulfide	¹Σ	C_∞v
407	CS₂	Carbon disulfide	¹Σ_g	D_∞h
408	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
409	OCSe	Carbonyl selenide	¹Σ	C_∞v
410	SCSe	Carbon sulfide selenide
411	NSO	sulfinyl amidogen
412	SNO	Nitrogen oxide sulfide
413	SO₂	Sulfur dioxide	¹A₁	C_2v
414	SSO	Disulfur monoxide	¹A^'	C_s
415	S₃	Sulfur trimer	¹A₁	C_2v
416	S₃	Sulfur trimer
417	SeO₂	Selenium dioxide	¹A₁	C_2v
418	HCCO	ketenyl radical	²Π	C_∞v
419	HCCO	ketenyl radical	²A^"	C_s
420	HCNO	fulminic acid	¹Σ	C_∞v
421	HNCS	Isothiocyanic acid
422	HNCS	Isothiocyanic acid
423	HSCN	thiocyanic acid	¹A^'	C_s
424	HOCO	Hydrocarboxyl radical	¹A^'	cis
425	HOCO	Hydrocarboxyl radical	¹A^'	trans
426	O₃H⁺	protonated ozone	¹A^'	C_s
427	O₃H⁺	protonated ozone
428	C₂H₂O	Oxirene	¹A₁	C_2v
429	CH₂CO	Ketene	¹A₁	C_2v
430	CH₂CS	Thioketene
431	Be(OH)₂	Beryllium hydroxide
432	Be(OH)₂	Beryllium hydroxide
433	HCOOH	Formic acid	¹A^'	C_s
434	HCOOH	Formic acid
435	BH₃CO	Borane carbonyl	¹A₁	C_3v
436	CH₂COH⁺	ketene, protonated
437	CH₃CO	Acetyl radical	²A^'	C_s
438	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
439	CHSNH₂	thioformamide
440	NHCHSH	Methanimidothioic acid
441	C₂H₄O	Ethylene oxide	¹A₁	C_2v
442	C₂H₄O⁺	ethylene oxide cation
443	CH₃CHO	Acetaldehyde	¹A^'	C_s
444	CH₃CHO⁺	acetaldehyde cation
445	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
446	C₂H₄S	Thiirane	¹A₁	C_2v
447	CH₂CHSH	Ethenethiol
448	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
449	NH₂CHOH⁺	Formamide, O-protonated
450	CH₃SSH	Hydrogen methyl disulfide
451	HSCH₂SH	Methanedithiol
452	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
453	NH₂CH₂OH	aminomethanol
454	CH₃CH₂SH	ethanethiol	¹A^'	C_s
455	CH₃CH₂SH	ethanethiol	¹A	C₁
456	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
457	CH₃SCH₃⁺	dimethyl sulfide cation
458	BrCN	Cyanogen bromide	¹Σ	C_∞v
459	FBO	Boron monofluoride monoxide
460	BeBr₂	Beryllium bromide
461	CaBr₂	Calcium dibromide
462	BF₂	Boron difluoride radical	²A₁	C_2v
463	FNO	Nitrosyl fluoride	¹A^'	C_s
464	ClNO	Nitrosyl chloride	¹A^'	C_s
465	FSN	Thiazyl fluoride	¹A^'	C_s
466	OPCl	Phosphorus oxychloride
467	CF₂	Difluoromethylene	¹A₁	D_∞h
468	SiF₂	Silicon difluoride	¹A₁	C_2v
469	GeCl₂	Germanium dichloride	¹A₁	C_2v
470	FOO⁺	Fluorine dioxide cation
471	OClO	Chlorine dioxide	²B₁	D_∞h
472	OClO^-	Chlorine dioxide anion	¹A^'	C_s
473	BrOO	Bromine dioxide
474	PF₂	Phosphorus difluoride
475	PF₂⁺	Phosphorus difluoride cation
476	SF₂	sulfur difluoride	¹A₁	C_2v
477	SeF₂	Selenium difluoride
478	SeCl₂	Selenium Dichloride
479	SBr₂	Sulfur dibromide
480	SeBr₂	Selenium dibromide
481	Br₃^-	tribromide anion
482	SFCl	Sulfur chloride fluoride
483	HCCF	Fluoroacetylene	¹Σ	C_∞v
484	CHF₂	difluoromethyl radical	²A	C_s
485	CHF₂⁺	difluoromethyl cation
486	CHFCl	Chlorofluoromethyl radical
487	CHFCl⁺	Chlorofluoromethyl cation
488	CHCl₂⁺	dichloromethyl cation
489	CHBr₂	dibromomethyl radical
490	NHF₂	difluoramine
491	NHCl₂	dichloroamine
492	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
493	SiH₂F₂	difluorosilane
494	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
495	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
496	CH₂Br₂	dibromomethane	¹A₁	C_2v
497	CH₃MgBr	Methyl Magnesium Bromide
498	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
499	CH₂FOH	fluoromethanol
500	C₂H₅Br	Ethyl bromide	¹A^'	C_s

count

Species

Name

State

Conformation

Deuterium atom

¹S

K_h

Hydrogen atom

¹S

K_h

H⁺

Hydrogen atom cation

K_h

D₂

Deuterium diatomic

¹Σ_g

D_∞h

H₂

Hydrogen diatomic

¹Σ_g

D_∞h

Deuterium hydride

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

Sodium atom

²S

K_h

LiH

Lithium Hydride

¹Σ

C_∞v

Beryllium atom

¹S

K_h

Be⁺

Beryllium atom cation

²S

K_h

Magnesium atom

¹S

K_h

Mg⁺

Magnesium atom cation

²S

K_h

Calcium atom

¹S

K_h

MgH

magnesium monohydride

²Σ

C_∞v

ZnH⁺

Zinc, protonated

BeH₂⁺

Beryllium dihydride cation

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

Boron monohydride

¹Σ

C_∞v

AlH

aluminum monohydride

¹Σ

C_∞v

GaH

Gallium monohydride

¹Σ

C_∞v

GaH⁺

Gallium monohydride cation

²Σ

C_∞v

BH₂

boron dihydride

²A₁

C_2v

AlH₂

aluminum dihydride

²A₁

C_2v

BH₃

boron trihydride

¹A₁^'

D_3h

BH₃⁺

boron trihydride cation

²B₂

C_2v

BH₃⁺

boron trihydride cation

C_2v

AlH₃

aluminum trihydride

¹A₁^'

D_3h

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

³B₁

C_2v

CH₂^-

methylene anion

²B₁

C_2v

SiH₂

silicon dihydride

¹A₁

C_2v

GeH₂

germylene

¹A₁

C_2v

CH₃

Methyl radical

²A₁

D_3h

CH₃⁺

methyl cation

¹A₁^'

D_3h

SiH₃

Silyl radical

²A₁

C_3v

SiH₃⁺

Silyl cation

¹A₁^'

D_3h

GeH₃

Germyl radical

²A₁

C_3v

GeH₃⁺

germyl cation

¹A₁^'

D_3h

CH₄

Methane

¹A₁

T_d

SiH₂D₂

silane-d2

SiH₄

Silane

¹A₁

T_d

GeH₄

Germane

¹A₁

T_d

SiH₅⁺

Silane, protonated

Nitrogen atom

⁴S

K_h

N⁺

Nitrogen atom cation

³P

K_h

Phosphorus atom

⁴S

K_h

Arsenic atomic

⁴S

K_h

As^-

Arsenic anion

³P

K_h

As⁺

Arsenic cation

³P

K_h

Imidogen

³Σ^-

C_∞v

phosphorus monohydride

³Σ^-

C_∞v

AsH

Arsenic monohydride

³Σ

C_∞v

ND₂

Amidogen-d2

²B₁

C_2v

NH₂

Amino radical

²B₁

C_2v

NH₂⁺

Amino cation

³B₁

C_2v

NH₂⁺

Amino cation

¹A₁

C_2v

PH₂

Phosphino radical

²B₁

C_2v

ND₃

Ammonia-d3

¹A₁

C_3v

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

100

Se^-

Selenium atom anion

²P

K_h

101

Se⁺

Selenium atom cation

⁴S

K_h

102

Hydroxyl-d

²Π

C_∞v

103

Hydroxyl radical

²Π

C_∞v

104

OH⁺

hydoxyl cation

³Σ

C_∞v

105

Mercapto-d

²Π

C_∞v

106

Mercapto radical

²Π

C_∞v

107

HS^-

mercapto anion

¹Σ

C_∞v

108

HS⁺

sulfur monohydride cation

³Σ

C_∞v

109

HSe

Selenium monohydride

²Π

C_∞v

110

HSe^-

selenium monohydride anion

¹Σ

C_∞v

111

HSe⁺

selenium monohydride cation

³Σ

C_∞v

112

D₂O

Deuterium oxide

¹A₁

C_2v

113

H₂O

Water

¹A₁

C_2v

114

H₂O^-

water anion

²A₁

C_2v

115

H₂O^-

water anion

²A^'

C_s

116

H₂O⁺

water cation

²B₁

C_2v

117

HDO

Water-d1

¹A₁

C_2v

118

D₂S

Hydrogen sulfide-d2

¹A₁

C_2v

119

H₂S

Hydrogen sulfide

¹A₁

C_2v

120

H₂Se

Hydrogen selenide

¹A₁

C_2v

121

H₂Se⁺

Hydrogen selenide cation

²B₁

C_2v

122

H₃S⁺

Sulfonium cation

¹A₁

C_3v

123

H₃Se⁺

Hydrogen Selenide, protonated

¹A₁

C_3v

124

Fluorine atom

²P

K_h

125

F⁺

Fluorine atom cation

³S

K_h

126

Chlorine atom

²P

K_h

127

Cl⁺

Chlorine atom cation

³P

K_h

128

Bromine atom

²P

K_h

129

Br^-

Bromine atom anion

¹S

K_h

130

Br⁺

Bromine atom cation

³P

K_h

131

Hydrofluoric acid-d

¹Σ

C_∞v

132

Hydrogen fluoride

¹Σ

C_∞v

133

HF^-

hydrogen fluoride anion

²Σ

C_∞v

134

HF⁺

hydrogen fluoride cation

²Π

C_∞v

135

DCl

Hydrochloric acid-d

¹Σ

C_∞v

136

HCl

Hydrogen chloride

¹Σ

C_∞v

137

HCl^-

hydrogen chloride anion

²Σ

C_∞v

138

HCl⁺

hydrogen chloride cation

²Π

C_∞v

139

HBr

hydrogen bromide

¹Σ

C_∞v

140

HBr^-

hydrogen bromide anion

²Σ

C_∞v

141

HBr⁺

hydrogen bromide cation

²Π

C_∞v

142

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

143

H₂Br⁺

protonated hydrogen bromide

²A₁

C_2v

144

Neon atom

¹S

K_h

145

Neon atom

146

Ne⁺

Neon atom cation

²P

K_h

147

Argon atom

¹S

K_h

148

Krypton atom

¹S

K_h

149

Kr⁺

Krypton cation

²P

K_h

150

HeLi⁺

Helium Lithium cation

151

ArH⁺

Argon hydride cation

¹Σ

C_∞v

152

KrH⁺

Protonated Krypton

¹Σ

C_∞v

153

NaLi

lithium sodium

¹Σ

C_∞v

154

Na₂

Sodium diatomic

¹Σ_g

D_∞h

155

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

156

LiAl

Lithium Aluminum

157

HBBH

Diborane(2)

³Σ_G

D_∞h

158

B₂H₄

Diborane(4) D2d

¹A₁

D_2d

159

B₂H₆

Diborane

¹A_g

D_2h

160

B₂H₆⁺

Diborane cation

161

CaC

Calcium monocarbide

162

BSi

Boron silicide

⁴Σ

C_∞v

163

BSi

Boron silicide

²Σ

C_∞v

164

Si₂

Silicon diatomic

³Σ_g

D_∞h

165

GeC

Germanium monocarbide

¹Σ

C_∞v

166

SiGe

Silicon Germanium

167

C₂H^-

Ethynyl anion

¹Σ

C_∞v

168

C₂H₂

Acetylene

¹Σ_g

D_∞h

169

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

170

C₂H₂⁺

acetylene cation

171

H₂CC^-

vinylidene anion

172

HCCH^-

acetylene anion

173

HCCH^-

acetylene anion

174

Si₂H₂

disilyne

175

Si₂H₂

disilyne

176

Si₂H₂

disilyne

177

Si₂H₂

disilyne

178

CH₃Li

methyl lithium

¹A₁

C_3v

179

C₂H₃

vinyl

²A^'

C_s

180

C₂H₃⁺

vinyl cation

¹A₁

C2V bridging H

181

C₂H₃⁺

vinyl cation

¹A₁

C2V HCCH2

182

C₂H₄

Ethylene

¹A_g

D_2h

183

Si₂H₄

Disilene

184

Si₂H₄

Disilene

185

Si₂H₄

Disilene

186

C₂H₅

Ethyl radical

²A^'

C_s

187

C₂H₆

Ethane

¹A_1g

D_3d

188

Si₂H₆

disilane

¹E_u

D_3d

189

LiN

Lithium Nitride

³Σ

C_∞v

190

LiP

Lithium monophosphide

191

LiP

Lithium monophosphide

192

MgN

Magnesium Nitride

193

MgN

Magnesium Nitride

194

GaAs

Gallium arsenide

³Π

195

GaAs

Gallium arsenide

¹Σ

196

boron nitride

³Π

C_∞v

197

AlN

Aluminum nitride

³Π_i

C_∞v

198

Cyano radical

²Σ

C_∞v

199

SiP

Silicon monophosphide

²Π

C_∞v

200

N₂

Nitrogen diatomic

¹Σ_g

D_∞h

201

N₂

Nitrogen diatomic

202

Phosphorus mononitride

¹Σ

C_∞v

203

HCN

Hydrogen cyanide

¹Σ

C_∞v

204

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

205

HNC⁺

hydrogen isocyanide cation

206

HCP⁺

Phosphaethyne cation

207

NNH⁺

Dinitrogen monohydride cation

¹Σ

C_∞v

208

LiNH₂

lithium amide

209

HBNH

Boranimine

¹Σ

C_∞v

210

H₂NN

Isodiazene

211

CH₂NH

Methanimine

¹A^'

C_s

212

CH₂NH⁺

Methanimine cation

213

CHNH₂

aminomethylene

214

CHNH₂⁺

Aminocarbene cation

215

BH₂NH₂

Boranamine

216

CH₃NH₂

methyl amine

¹A^'

C_s

217

SiH₃NH₂

Silane, amino

218

BH₃PH₃

borane phosphine

219

CH₃NH₃

methyl ammonium radical

²A₁

C_3v

220

N₂H₇⁺

ammonia ammonium dimer

221

LiSe

Lithium monoselenide

222

CaO

Calcium monoxide

¹Σ

C_∞v

223

CaS

Calcium sulfide

¹Σ

C_∞v

224

boron monoxide

²Σ

C_∞v

225

BO^-

boron monoxide anion

¹Σ

C_∞v

226

GaO

Gallium monoxide

²Σ

C_∞v

227

GaS

Gallium monosulfide

228

Carbon monoxide

¹Σ

C_∞v

229

CO⁺

carbon monoxide cation

²Σ

C_∞v

230

carbon monosulfide

¹Σ

C_∞v

231

SiO

Silicon monoxide

¹Σ

C_∞v

232

SiS

silicon monosulfide

¹Σ

C_∞v

233

CSe

Carbon monoselenide

¹Σ

C_∞v

234

GeO

Germanium monoxide

¹Σ

C_∞v

235

SiSe

Silicon Monoselenide

236

SiSe⁺

Silicon Monoselenide cation

237

GeSe

Germanium monoselenide

238

Nitric oxide

²Π

C_∞v

239

NO^-

nitric oxide anion

³Σ

C_∞v

240

NO⁺

nitric oxide cation

¹Σ

C_∞v

241

phosphorus sulfide

²Σ

C_∞v

242

O₂

Oxygen diatomic

³Σ_g

D_∞h

243

O₂^--

dioxygen dianion

244

Sulfur monoxide

³Σ

C_∞v

245

Sulfur monoxide

¹Σ

C_∞v

246

SO⁺

sulfur monoxide cation

²Π

C_∞v

247

S₂

Sulfur diatomic

³Σ_g

D_∞h

248

SeO

Selenium monoxide

³Σ

C_∞v

249

Se₂

Selenium diatomic

³Σ_g

D_∞h

250

LiOH

lithium hydroxide

¹Σ

C_∞v

251

BeOH

beryllium monohydroxide

²A^'

C_s

252

HBO

Boron hydride oxide

¹Σ

C_∞v

253

HBS

hydrogen boron sulfide

¹Σ

C_∞v

254

COH

Hydroxymethylidyne

255

HCO

Formyl radical

²A^'

C_s

256

HCO^-

formyl anion

¹A^'

C_s

257

HCO⁺

Formyl cation

¹Σ

C_∞v

258

HNO

Nitrosyl hydride

¹A^'

C_s

259

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

260

HO₂

Hydroperoxy radical

²A^"

C_s

261

HSO⁺

Sulfur Monoxide, S-protonated

262

SOH

Sulfur Hydroxide

263

SOH⁺

Sulfur Monoxide, protonated

264

H₂CO

Formaldehyde

¹A₁

C_2v

265

H₂CO^-

formaldehyde anion

²A^'

C_s

266

H₂CO^-

formaldehyde anion

267

H₂CO⁺

formaldehyde cation

²B₂

C_2v

268

H₂CS

Thioformaldehyde

¹A₁

C_2v

269

H₂CS^-

thioformaldehyde anion

270

H₂CS^-

thioformaldehyde anion

271

H₂CSe

Selenoformaldehyde

272

H₂O₂

Hydrogen peroxide

¹A

C₂

273

H₂O₂

Hydrogen peroxide

¹A_g

C_2h

274

H₂OO

water oxide

275

HOSH

hydrogen thioperoxide

276

H₂Se₂

hydrogen diselenide

277

NH₂OH

hydroxylamine

¹A^'

C_s

278

NH₂OH⁺

Hydroxylamine cation

279

NH₂SH

Thiohydroxylamine

280

NH₂SH

Thiohydroxylamine

281

NH₃S

sulfidoazane

282

CH₃OH

Methyl alcohol

¹A^'

C_s

283

CH₃OH⁺

Methyl alcohol cation

²A^"

C_s

284

SiH₃OH

silanol

285

NH₂OH₂⁺

protonated hydroxylamine

286

NH₃OH⁺

N-protonated hydroxylamine

287

H₅O₂⁺

Dihydroxonium ion

¹A

C₂

288

LiF

lithium fluoride

¹Σ

C_∞v

289

LiCl

lithium chloride

¹Σ

C_∞v

290

NaF⁺

sodium fluoride cation

²Σ

C_∞v

291

LiBr

Lithium Bromide

¹Σ

C_∞v

292

LiF⁺

lithium fluoride cation

²Π

C_∞v

293

CaBr

Calcium monobromide

294

Boron monofluoride

¹Σ

C_∞v

295

AlF

Aluminum monofluoride

¹Σ⁺

C_∞v

296

GaF

Gallium monofluoride

¹Σ

C_∞v

297

AlBr

Aluminum monobromide

298

GaCl

Gallium monochloride

¹Σ_G

C_∞v

299

GaBr

Gallium monobromide

300

Fluoromethylidyne

²Π

C_∞v

301

CF^-

carbon monofluoride anion

³Σ

C_∞v

302

SiCl

Clorosilylidyne

²Π

C_∞v

303

CBr

Carbon monobromide

²Π

C_∞v

304

GeF

Germanium monofluoride

²Π

C_∞v

305

GeCl

Germanium monochloride

²Π

C_∞v

306

GeCl⁺

Germanium monochloride cation

307

SiBr

Silicon monobromide

²Π

C_∞v

308

SiBr⁺

Silicon monobromide cation

309

NCl

nitrogen monochloride

³Σ

C_∞v

310

PBr

Phosphorus monobromide

311

ClO

Monochlorine monoxide

²Π

C_∞v

312

ClO⁺

chlorine monoxide cation

³Σ

C_∞v

313

Monosulfur monofluoride

²Π

C_∞v

314

SF⁺

sulfur monofluoride cation

³Σ

C_∞v

315

SCl⁺

sulfur monochloride cation

³Σ_g

C_∞v

316

BrO

Bromine monoxide

²Π

C_∞v

317

BrO⁺

Bromine monoxide cation

318

SBr

Sulfur monobromide radical

319

SBr⁺

Sulfur monobromide cation

320

SeBr

Selenium monobromide

321

BrCl

Bromine monochloride

¹Σ

C_∞v

322

F₂

Fluorine diatomic

¹Σ_g

D_∞h

323

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

324

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

325

ClF⁺

clorine monofluoride cation

²Π

C_∞v

326

Cl₂

Chlorine diatomic

¹Σ_g

D_∞h

327

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

328

BrF

Bromine monofluoride

¹Σ

C_∞v

329

Br₂

Bromine diatomic

¹Σ_g

D_∞h

330

Br₂^-

bromine diatomic anion

²Σ_u

D_∞h

331

Br₂⁺

bromine diatomic cation

²Π_g

D_∞h

332

HCF

Fluoromethylene

¹A^'

C_s

333

HCF

Fluoromethylene

³A^"

C_s

334

HSiF

fluorosilylene

335

HSiCl

Chlorosilylene

336

HSiBr

monobromosilylene

337

HOF

Hypofluorous acid

¹A^'

C_s

338

HOCl

hypochlorous acid

¹A^'

C_s

339

HOCl⁺

hypochlorous acid cation

340

F₂H⁺

Fluorine, protonated

¹A^'

C_s

341

ClFH⁺

Chlorine fluoride, F-protonated

342

FClH⁺

Chlorine fluoride, Cl-protonated

343

Cl₂H⁺

Chlorine, protonated

¹A^'

C_s

344

CH₂Br

bromomethyl radical

345

CH₂F

fluoromethyl radical

²A

C_s

346

CH₂F⁺

fluoromethyl cation

347

CH₂Cl⁺

chloromethyl cation

348

CH₂Cl

chloromethyl radical

²A^'

C_s

349

CH₂Cl

chloromethyl radical

²B₁

C_2v

350

NH₂Cl

chloramine

¹A^'

C_s

351

CH₃F⁺

methyl fluoride cation

352

CH₃Cl

Methyl chloride

¹A₁

C_3v

353

SiH₃F

monofluorosilane

¹A₁

C_3v

354

SiH₃Cl

chlorosilane

¹A₁

C₁

355

CH₃Br

methyl bromide

¹A₁

C_3v

356

GeH₃F

monofluorogermane

357

GeH₃Cl

monochlorogermane

358

NH₃Cl⁺

protonated monochloroammonia

359

CH₃ClH⁺

methyl chloride, protonated

360

NH₄Cl

Ammonium chloride

361

LiNe⁺

Lithium Neon cation

362

Ar₂

Argon diatomic

¹S_g

D_∞h

363

C₃

carbon trimer

¹Σ_g

D_∞h

364

C₃

carbon trimer

¹A₁

C_2v

365

SiC₂

Silicon dicarbide

366

C₃H₄

cyclopropene

¹A₁

C_2v

367

CH₂CCH₂

allene

¹A₁

D_2d

368

CH₃CCH

propyne

¹A^'

C_3v

369

C₃H₅

Allyl radical

²A₂

C_2v

370

C₃H₆

Cyclopropane

¹A₁^'

D_3h

371

CH₂CHCH₃

Propene

¹A^'

C_s

372

C₃H₇

n-Propyl radical

²A^"

C₁

373

CH₃CHCH₃

Isopropyl radical

²A

C₂

374

C₃H₈

Propane

¹A₁

C_2v

375

Si₃H₈

trisilane

376

ZnCN

Zinc monocyanide

²Σ

C_∞v

377

ZnNC

Zinc isocyanide

²Σ

C_∞v

378

AlCN

Aluminum monocyanide

379

AlNC

Aluminum isocyanide

380

CNN

Diazocarbene

381

HN₃

hydrogen azide

¹A^'

C_s

382

HN₃⁺

Hydrazoic acid cation

383

HNCNH

diiminomethane

¹A

C₂

384

HNNNH⁺

1,2-Triazadienium

385

NH₂NN⁺

hydrazoic acid, protonated

386

CH₃CN

Acetonitrile

¹A₁

C_3v

387

CH₃CN^-

acetonitrile anion

²E

C_3v

388

CH₃CN^-

acetonitrile anion

²A^'

C_s

389

CHNCH₂

2H-Azirine

390

CHNHCH

1H-Azirine

391

H₂CCNH

Ethenimine

392

H₂CNCH

methyleneaminomethylene

393

HCCNH₂

Ethynamine

394

HCNCH₂⁺

2H-Azirine cation

395

NH₂CNH⁺

cyanamide, cn protonated

396

NH₃CN⁺

cyanamide, amine protonated

397

C₂H₆N⁺

aziridine, protonated

¹A₁

C_2v

398

CH₃CH₂NH₂

Ethylamine

399

Na₂S

Sodium sulfide

400

Na₂S

Sodium sulfide

401

LiO₂

Lithium dioxide

402

NaO₂

Sodium superoxide

403

NCO

isocyanato radical

²Π

C_∞v

404

N₂O

Nitrous oxide

¹Σ

C_∞v

405

CO₂

Carbon dioxide

¹Σ_g

D_∞h

406

OCS

Carbonyl sulfide

¹Σ

C_∞v

407

CS₂

Carbon disulfide

¹Σ_g

D_∞h

408

GeO₂

Germanium dioxide

¹Σ_g

D_∞h

409

OCSe

Carbonyl selenide

¹Σ

C_∞v

410

SCSe

Carbon sulfide selenide

411

NSO

sulfinyl amidogen

412

SNO

Nitrogen oxide sulfide

413

SO₂

Sulfur dioxide

¹A₁

C_2v

414

SSO

Disulfur monoxide

¹A^'

C_s

415

S₃

Sulfur trimer

¹A₁

C_2v

416

S₃

Sulfur trimer

417

SeO₂

Selenium dioxide

¹A₁

C_2v

418

HCCO

ketenyl radical

²Π

C_∞v

419

HCCO

ketenyl radical

²A^"

C_s

420

HCNO

fulminic acid

¹Σ

C_∞v

421

HNCS

Isothiocyanic acid

422

HNCS

Isothiocyanic acid

423

HSCN

thiocyanic acid

¹A^'

C_s

424

HOCO

Hydrocarboxyl radical

¹A^'

cis

425

HOCO

Hydrocarboxyl radical

¹A^'

trans

426

O₃H⁺

protonated ozone

¹A^'

C_s

427

O₃H⁺

protonated ozone

428

C₂H₂O

Oxirene

¹A₁

C_2v

429

CH₂CO

Ketene

¹A₁

C_2v

430

CH₂CS

Thioketene

431

Be(OH)₂

Beryllium hydroxide

432

Be(OH)₂

Beryllium hydroxide

433

HCOOH

Formic acid

¹A^'

C_s

434

HCOOH

Formic acid

435

BH₃CO

Borane carbonyl

¹A₁

C_3v

436

CH₂COH⁺

ketene, protonated

437

CH₃CO

Acetyl radical

²A^'

C_s

438

HOCHNH

hydroxymethylimine

¹A^'

CS H all up

439

CHSNH₂

thioformamide

440

NHCHSH

Methanimidothioic acid

441

C₂H₄O

Ethylene oxide

¹A₁

C_2v

442

C₂H₄O⁺

ethylene oxide cation

443

CH₃CHO

Acetaldehyde

¹A^'

C_s

444

CH₃CHO⁺

acetaldehyde cation

445

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

446

C₂H₄S

Thiirane

¹A₁

C_2v

447

CH₂CHSH

Ethenethiol

448

CH₃CHS

Thioacetaldehyde

¹A^'

C₁

449

NH₂CHOH⁺

Formamide, O-protonated

450

CH₃SSH

Hydrogen methyl disulfide

451

HSCH₂SH

Methanedithiol

452

C₂H₄OH⁺

ethylene oxide, protonated

¹A^'

C_s

453

NH₂CH₂OH

aminomethanol

454

CH₃CH₂SH

ethanethiol

¹A^'

C_s

455

CH₃CH₂SH

ethanethiol

¹A

C₁

456

CH₃SCH₃

Dimethyl sulfide

¹A₁

C_2v

457

CH₃SCH₃⁺

dimethyl sulfide cation

458

BrCN

Cyanogen bromide

¹Σ

C_∞v

459

FBO

Boron monofluoride monoxide

460

BeBr₂

Beryllium bromide

461

CaBr₂

Calcium dibromide

462

BF₂

Boron difluoride radical

²A₁

C_2v

463

FNO

Nitrosyl fluoride

¹A^'

C_s

464

ClNO

Nitrosyl chloride

¹A^'

C_s

465

FSN

Thiazyl fluoride

¹A^'

C_s

466

OPCl

Phosphorus oxychloride

467

CF₂

Difluoromethylene

¹A₁

D_∞h

468

SiF₂

Silicon difluoride

¹A₁

C_2v

469

GeCl₂

Germanium dichloride

¹A₁

C_2v

470

FOO⁺

Fluorine dioxide cation

471

OClO

Chlorine dioxide

²B₁

D_∞h

472

OClO^-

Chlorine dioxide anion

¹A^'

C_s

473

BrOO

Bromine dioxide

474

PF₂

Phosphorus difluoride

475

PF₂⁺

Phosphorus difluoride cation

476

SF₂

sulfur difluoride

¹A₁

C_2v

477

SeF₂

Selenium difluoride

478

SeCl₂

Selenium Dichloride

479

SBr₂

Sulfur dibromide

480

SeBr₂

Selenium dibromide

481

Br₃^-

tribromide anion

482

SFCl

Sulfur chloride fluoride

483

HCCF

Fluoroacetylene

¹Σ

C_∞v

484

CHF₂

difluoromethyl radical

²A

C_s

485

CHF₂⁺

difluoromethyl cation

486

CHFCl

Chlorofluoromethyl radical

487

CHFCl⁺

Chlorofluoromethyl cation

488

CHCl₂⁺

dichloromethyl cation

489

CHBr₂

dibromomethyl radical

490

NHF₂

difluoramine

491

NHCl₂

dichloroamine

492

CH₂F₂

Methane, difluoro-

¹A₁

C_2v

493

SiH₂F₂

difluorosilane

494

CH₂Cl₂

Methylene chloride

¹A₁

C_2v

495

CH₂BrCl

Methane, bromochloro-

¹A^'

C_s

496

CH₂Br₂

dibromomethane

¹A₁

C_2v

497

CH₃MgBr

Methyl Magnesium Bromide

498

CH₂CHF

Ethene, fluoro-

¹A^'

C_s

499

CH₂FOH

fluoromethanol

500

C₂H₅Br

Ethyl bromide

¹A^'

C_s

501

C₄

Carbon tetramer

³Σ_g

D_∞h

502

C₄

Carbon tetramer

503

C₄H₂⁺

diacetlyene cation

²Π_g

D_∞h

504

C₄H₄

Tetrahedrane

505

C₄H₆

1-Methylcyclopropene

¹A

C₁

506

CH₂CHCH₂CH₃

1-Butene

¹A

C₁

507

CH₃CH₂CH₂CH₃

Butane

¹A_g

Anti

508

As₄

Arsenic tetramer

¹A₁

T_d

509

H₂CNCN

cyanamide, methylene

510

HNCCNH

Ethenediimine

511

C₂H₅CN

ethyl cyanide

¹A^'

C_s

512

H₂NCHCHNH₂

diaminoethylene

513

N(SiH₃)₃

trisilylamine

514

Na₂O₂

disodium dioxide

515

ONNO

NO dimer

¹A_g

trans C2H

516

ONNO

NO dimer

¹A₁

cis C2V

517

CS₃^--

Carbonotrithioate

518

SO₃

Sulfur trioxide

¹A₁^'

D_3h

519

SO₃^--

Sulfate dianion

520

S₄

Sulfur tetramer

521

S₄

Sulfur tetramer

522

S₄

Sulfur tetramer

523

HNO₃

Nitric acid

¹A^'

C_s

524

C₃H₂O

Propadienal

525

C₃H₂O

Propadienal

526

C₂H₂O₂

Ethanedial

¹A_g

C_2h

527

CH₃NCO

methylisocyante

528

HOCH₂CN

cyanomethanol

529

CH₃NO₂

Methane, nitro-

¹A^'

C_s

530

H₃AlO₃

Aluminum hydroxide

531

CH₂CHCHO

Acrolein

¹A^'

C_s

532

CH₂CHCHO

Acrolein

533

CH₂C(OH)NH₂

1-amino vinyl alchohol

534

CH₃C(OH)=NH

Ethaninidic acid

535

CH₃CSNH₂

Ethanethioamide

536

CH₃CH₂CHO

Propanal

¹A^'

C_s

537

C₃H₇OH

1-Propanol

538

Li₂F₂

Lithium fluoride dimer

539

CF₂O

Carbonic difluoride

¹A₁

C_2v

540

CF₂O⁺

Carbonic difluoride cation

541

BF₃

Borane, trifluoro-

¹A^'

D_3h

542

BF₃⁺

boron trifluoride cation

543

AlF₃

Aluminum trifluoride

¹A₁^'

D_3h

544

BClF₂

Chlorodifluoroborane

545

BCl₃

Borane, trichloro-

¹A₁^'

D_3h

546

BCl₃⁺

Boron Trichloride cation

547

GaF₃

Gallium trifluoride

¹A₁^'

D_3h

548

GaCl₃

Gallium trichloride

¹A₁^'

D_3h

549

CF₂Cl

difluorochloromethyl radical

550

CFCl₂

dichlorofluoromethyl radical

551

CBr₃

tribromomethyl radical

552

SSCl₂

Thiothionyl chloride

553

NF₃

Nitrogen trifluoride

¹A₁

C_3v

554

NCl₃

nitrogen trichloride

¹A₁

C_3v

555

NBr₃

Nitrogen Tribromide

¹A₁

C_3v

556

HClO₃

Chloric Acid

¹A^'

C_s

557

HClO₃

Chloric Acid

¹A

C₁

558

CHF₃

Methane, trifluoro-

¹A₁

C_3v

559

SiHF₃

trifluorosilane

560

CHBrF₂

Methane, bromodifluoro-

¹A^'

C_s

561

CHBrCl₂

Methane, bromodichloro-

¹A^'

C_s

562

CHBr₂F

dibromofluoromethane

563

AsF₃H⁺

Arsenic trifluoride, protonated

564

CHBrCHBr

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

565

CHBrCHBr

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

566

C₂H₄F₂

1,2-difluoroethane

¹A_g

C2H anti

567

C₂H₄F₂

1,2-difluoroethane

¹A

C2 gauche

568

CH₃CHF₂

Ethane, 1,1-difluoro-

¹A^'

C_s

569

CH₂BrCH₂Cl

1-bromo-2-chloroethane

570

CH₂BrCH₂Cl

1-bromo-2-chloroethane

571

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

¹A_g

C_2h

572

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

¹A

C₂

573

CH₂CHCH₂F

Allyl Fluoride

574

CH₂CHCH₂F

Allyl Fluoride

575

CH₃CHCHF

trans-1-Fluoro-1-propene

576

CH₂FCH₂OH

2-fluoroethanol

577

CH₂FCH₂CH₃

1-Fluoropropane

578

CH₃CHFCH₃

2-Fluoropropane

¹A^'

C_s

579

B₅H₉

pentaborane9

580

C₅H₄

pentatetraene

581

C₅H₈

Bicyclo[1.1.1]pentane

582

C₄H₅N

Pyrrole

¹A₁

C_2v

583

C₃O₂

Carbon suboxide

¹Σ_G

D_∞h

584

B₂O₃

diboron trioxide

585

B₂O₃

diboron trioxide

586

CHOOCHO

diformyl ether

587

C₃H₃NO

Isoxazole

¹A^'

C_s

588

C₃H₃NS

Thiazole

589

C₄H₄Se

selenophene

590

HCOOC₂H₅

Ethyl formate

¹A^'

C_s

591

C₂H₆O₂S

Dimethyl sulfone

¹A₁

C_2v

592

C₄H₈S

Thiophene, tetrahydro-

¹A

C₁

593

C₄H₁₀O

Methyl propyl ether

¹A

C₁

594

C₄H₉SH

1-Butanethiol

595

CF₃Cl

Methane, chlorotrifluoro-

¹A₁

C_3v

596

CF₂Cl₂

difluorodichloromethane

¹A₁

C_2v

597

CF₃Br

Bromotrifluoromethane

¹A₁

C_3v

598

GeF₄

Germanium tetrafluoride

¹A₁

T_d

599

CBrCl₂F

bromodichlorofluoromethane

600

CBr₂ClF

dibromochlorofluoromethane

601

CBr₂Cl₂

dibromodichloromethane

¹A₁

C_2v

602

CBr₃Cl

tribromochloromethane

¹A₁

C_3v

603

CBr₄

Carbon tetrabromide

¹A₁

T_d

604

GeBr₄

Germanium tetrabromide

605

SF₄

Sulfur tetrafluoride

¹A₁

C_2v

606

SeF₄

Selenium tetrafluoride

607

SCl₄

Sulfur tetrachloride

608

CH₂ClCCCl

1,3-dichloropropyne

609

CHCl₂CCH

3,3-dichloropropyne

610

CHCl₂CHO

dichloroacetaldehyde

611

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

¹A

C₁

612

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

¹A^'

C_s

613

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

614

CH₂FCH₂CH₂F

1,3-difluoropropane

615

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

¹A₁

C_2v

616

C₂H₂N₂O

Furazan

617

C₆H₆

Prismane

618

C₆H₆

1,2,4,5-Hexatetraene

¹A_g

C_2h

619

C₆H₆

Dewar Benzene

620

C₆H₇⁺

benzene, protonated

¹A₁

C_2v

621

N₃P₃

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

622

C₃H₂O₃

vinylene carbonate

623

C₅H₆O

2H-Pyran

624

C₅H₆O

Pentadienal

625

C₄H₆O₂

γ–Butyrolactone

¹A

C₁

626

C₃H₆O₃

1,3,5-Trioxane

¹A₁

C₁

627

C₅H₁₀O

3-Pentanone

¹A₁

C_2v

628

C₄F₂

difluorobutadiyne

629

C₂ClF₃

Ethene, chlorotrifluoro-

630

C₂Br₄

tetrabromoethene

631

SiF₅^-

silicon pentafluoride anion

632

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

633

CHCl₂CHCl₂

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

634

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

635

CH(CN)₃

tricyanomethane

636

HN=C=C(CN)₂

Dicyanoketenimine

637

C₆H₁₂O

Oxepane

638

F₂CCCF₂

tetrafluoroallene

639

SF₆

Sulfur Hexafluoride

¹A_1G

O_h

640

C₆H₅CHO

benzaldehyde

¹A^'

C_s

641

C₂Cl₆

hexachloroethane

¹A_1g

D_3d

642

C₆H₅NO

nitrosobenzene

¹A^'

C_s

643

C₃F₆

hexafluoropropene

644

C₈H₁₈O

1-Octanol

645

C₁₀H₁₀

bullvalene

Species NOT done yet

count	Species	Name	file name
1	D^-	Deuterium atom anion	d-
2	D⁺	Deuterium atom cation	d+
3	H^-	Hydrogen atom anion	h-
4	H₂^-	hydrogen diatomic anion	h2-
5	H₂⁺	Hydrogen cation	h2+
6	H₃⁺	hydrogen trimer cation	h3+
7	He^-	Helium atom anion	he-
8	HeH	Helium hydride	heh
9	Li^-	Lithium atom anion	li-
10	Li⁺	Lithium atom cation	li+
11	Na^-	Sodium atom anion	na-
12	Na⁺	Sodium atom cation	na+
13	K	Potassium atom	k
14	K^-	Potassium atom anion	k-
15	K⁺	Potassium atom cation	k+
16	Cu	Copper atom	cu
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 hydride	kh
25	KH⁺	Potassium hydrogen cation	kh+
26	CuH	Copper monohydride	cuh
27	Be^-	Beryllium atom anion	be-
28	Mg^-	Magnesium atom anion	mg-
29	Ca^-	Calcium atom anion	ca-
30	Ca⁺	Calcium atom cation	ca+
31	Zn	Zinc atom	zn
32	Zn^-	Zinc atom anion	zn-
33	Zn⁺	Zinc atom cation	zn+
34	BeH	beryllium monohydride	beh
35	BeH^-	berylium monohydride anion	beh-
36	BeH⁺	beryllium monohydride cation	beh+
37	MgH^-	magnesium monohydride anion	mgh-
38	MgH⁺	magnesium monohydride cation	mgh+
39	CaH	Calcium monohydride	cah
40	CaH⁺	Calcium monohydride cation	cah+
41	TiH	Titanium monohydride	tih
42	ZnH	Zinc monohydride	znh
43	BeH₂	beryllium dihydride	beh2
44	MgH₂	magnesium dihydride	mgh2
45	CaH₂	Calcium Hydride	cah2
46	ZnH₂	Zinc hydride	znh2
47	B^-	Boron atom anion	b-
48	Sc	Scandium atom	sc
49	Sc⁺	Scandium cation	sc+
50	BH^-	boron monohydride anion	bh-
51	BH⁺	boron monohydride cation	bh+
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 anion	bh2-
57	BH₂⁺	Boron dihydride cation	bh2+
58	AlH₂^-	aluminum dihydride anion	alh2-
59	AlH₂⁺	aluminum dihydride cation	alh2+
60	BH₃^-	boron trihydride anion	bh3-
61	AlH₃⁺	aluminum trihydride cation	alh3+
62	ScH₃	Scandium trihydride	sch3
63	GaH₃	Gallium trihydride	gah3
64	BH₄	borohydride	bh4
65	AlH₄^-	Aluminum tetrahydride anion	alh4-
66	C^-	Carbon atom anion	c-
67	Ti	Titanium atom	ti
68	Ti^-	Titanium atom anion	ti-
69	Ti⁺	Titanium atom cation	ti+
70	Sn	Tin atom	sn
71	Sn⁺	Tin cation	sn+
72	CH^-	methylidyne anion	ch-
73	CH⁺	Methylidyne cation	ch+
74	SiH^-	silicon monohydride anion	sih-
75	SiH⁺	silicon monohydride cation	sih+
76	GeH⁺	Germaniun monohyrdide cation	geh+
77	CH₂⁺	methylene cation	ch2+
78	SiH₂^-	silicon dihydride anion	sih2-
79	SiH₂⁺	silicon dihydride cation	sih2+
80	GeH₂^-	germylene anion	geh2-
81	CH₃^-	methyl anion	ch3-
82	SiH₃^-	Silyl anion	sih3-
83	CD₄	methane-d4	cd4
84	CH₂D₂	methane-d2	ch2d2
85	CH₃D	methane-d	ch3d
86	CH₄^-	Methane anion	ch4-
87	CH₄⁺	Methane cation	ch4+
88	CHD₃	methane-d3	chd3
89	SiH₄⁺	Silane cation	sih4+
90	SnH₄	Stannane	snh4
91	N^-	Nitrogen atom anion	n-
92	P^-	Phosphorus atom anion	p-
93	P⁺	Phosphorus atom cation	p+
94	V	Vanadium atom	v
95	V⁺	Vanadium atom cation	v+
96	Sb	Antimony atom	sb
97	NH^-	Imidogen anion	nh-
98	NH⁺	imidogen cation	nh+
99	PH^-	phosphorus monohydride anion	ph-
100	PH⁺	phosphorus monohydride cation	ph+
101	AsH⁺	Arsenic monohydride cation	ash+
102	SbH	Antimony monohydride	sbh
103	NH₂^-	amino anion	nh2-
104	PH₂^-	Phosphino anion	ph2-
105	PH₂⁺	Phosphino cation	ph2+
106	AsH₂	Arsenic dihydride	ash2
107	AsH₂⁺	Arsenic dihydride cation	ash2+
108	NH₃^-	Ammonia anion	nh3-
109	NH₃⁺	ammonia cation	nh3+
110	SbH₃	Stibine	sbh3
111	NH₄⁺	ammonium cation	nh4+
112	PH₄⁺	phosphonium cation	ph4+
113	O^-	Oxygen atom anion	o-
114	S^-	Sulfur atom anion	s-
115	S⁺	Sulfur atom cation	s+
116	Cr	Chromium atom	cr
117	Te	Tellurium atom	te
118	Te⁺	Tellurium atom cation	te+
119	OH^-	hydroxide anion	oh-
120	CrH⁺	Chromium hydride cation	crh+
121	TeH	Telluryl radical	teh
122	H₂S^-	Hydrogen sulfide anion	h2s-
123	H₂S⁺	Hydrogen sulfide cation	h2s+
124	H₂Te	Hydrogen Telluride	h2te
125	H₃O⁺	hydronium cation	h3o+
126	F^-	Fluorine atom anion	f-
127	Cl^-	Chlorine atom anion	cl-
128	Mn	Manganese atom	mn
129	I	Iodine atom	iodine
130	I^-	Iodine atom anion	iodine-
131	I⁺	Iodine atom cation	iodine+
132	HI	Hydrogen iodide	hi
133	HI⁺	Hydrogen iodide cation	hi+
134	H₂F⁺	dihydrogen fluoride cation	h2f+
135	H₂I⁺	Iodonium	h2i+
136	Ne^-	Neon atom anion	ne-
137	Ar^-	Argon atom anion	ar-
138	Ar⁺	Argon atom cation	ar+
139	Fe	Iron atom	fe
140	Xe	Xenon atom	xe
141	NeH	neon hydrogen	neh
142	NeH⁺	neon hydrogen cation	neh+
143	XeH⁺	Xenon, protonated	xeh+
144	H₂Ar	H2 Ar dimer	h2ar
145	Co	Cobalt atom	cobalt
146	Ni	Nickel atom	ni
147	Li₂	Lithium diatomic	li2
148	Li₂^-	lithium diatomic anion	li2-
149	Li₂⁺	lithium diatomic cation	li2+
150	NaLi^-	lithium sodium anion	lina-
151	NaLi⁺	lithium sodium cation	lina+
152	LiK	Lithium Potassium	lik
153	Na₂⁺	sodium diatomic cation	na2+
154	NaK	Sodium Potassium	nak
155	NaK⁺	Sodium Potassium diatomic cation	nak+
156	K₂	Potassium diatomic	k2
157	Cu₂	Copper diatomic	cu2
158	LiBe	Lithium Beryllium	libe
159	LiMg	Lithium magnesium	limg
160	NaBe	Sodium Beryllium	nabe
161	NaMg	Sodium Magnesium	namg
162	Be₂	Beryllium diatomic	be2
163	Be₂^-	Beryllium diatomic anion	be2-
164	Be₂⁺	Beryllium diatomic cation	be2+
165	BeMg	Beryllium Magnesium	bemg
166	Mg₂	Magnesium diatomic	mg2
167	Mg₂^-	magnesium diatomic anion	mg2-
168	Mg₂⁺	magnesium diatomic cation	mg2+
169	Ca₂	Calcium diatomic	ca2
170	LiB	Lithium boride	lib
171	NaAl	Sodium aluminum	naal
172	BeB	Beryllium monoboride	beb
173	B₂	Boron diatomic	b2
174	B₂^-	Boron diatomic anion	b2-
175	B₂⁺	Boron diatomic cation	b2+
176	BAl	Boron Aluminum	bal
177	Al₂	Aluminum diatomic	al2
178	Al₂^-	aluminum diatomic anion	al2-
179	Al₂⁺	aluminum diatomic cation	al2+
180	BGa	Boron Gallium	bga
181	AlGa	Aluminum Gallium	alga
182	Ga₂	Gallium diatomic	ga2
183	LiBH₄	Lithium borohydride	libh4
184	HBHHBH	Diborane(4) C2V	hbhhbh
185	Al₂H₆	dialane	al2h6
186	Ga₂H₆	digallane	ga2h6
187	LiC	Lithium Carbide	lic
188	BeC	Beryllium Carbide	bec
189	BC	boron monocarbide	bc
190	BC^-	boron monocarbide anion	bc-
191	BC⁺	boron monocarbide cation	bc+
192	AlC	Aluminum carbide	alc
193	C₂	Carbon diatomic	c2
194	C₂^-	carbon diatomic anion	c2-
195	C₂⁺	carbon diatomic cation	c2+
196	SiC	silicon monocarbide	sic
197	SiC^-	silicon monocarbide anion	sic-
198	SiC⁺	silicon monocarbide cation	sic+
199	Si₂^-	silcon diatomic anion	si2-
200	Si₂⁺	silcon diatomic cation	si2+
201	Ge₂	Germanium diatomic	ge2
202	C₂H	Ethynyl radical	c2h
203	C₂H⁺	Ethynyl cation	c2h+
204	ZnCH₂	Zinc methylene	znch2
205	CCH₂	vinylidene	vinylidene
206	CuCH₃	monomethyl copper	cuch3
207	ZnCH₃	Zinc monomethyl	znch3
208	CH₂BH	methyleneborane	ch2bh
209	C₂H₃^-	vinyl anion	c2h3-
210	C₂H₄^-	Ethylene anion	c2h4-
211	C₂H₄⁺	Ethylene cation	c2h4+
212	CH₃CH	methylmethylene	ch3ch
213	CH₂SiH₂	silaethylene	ch2sih2
214	CH₃BH₂	methylborane	ch3bh2
215	C₂H₅^-	Ethyl anion	c2h5-
216	C₂H₅⁺	Ethyl cation	c2h5+
217	C₂H₆⁺	ethane cation	c2h6+
218	CH₃SiH₃	methyl silane	ch3sih3
219	GeH₃CH₃	methyl germane	geh3ch3
220	C₂H₇⁺	Ethane, protonated	c2h7+
221	LiN⁺	Lithium Nitride cation	lin+
222	BeN	Beryllium mononitride	ben
223	BeN^-	Beryllium mononitride anion	ben-
224	BeN⁺	Beryllium mononitride cation	ben+
225	BN^-	boron nitride anion	bn-
226	AlN^-	aluminum mononitride anion	aln-
227	AlN⁺	aluminum mononitride cation	aln+
228	BP	Boron monophosphide	bp
229	AlP	Aluminum monophosphide	alp
230	GaN	Gallium mononitride	gan
231	GaP	Gallium monophosphide	gap
232	BN⁺	boron nitride cation	bn+
233	CN^-	cyanide anion	cn-
234	CN⁺	Cyano cation	cn+
235	CP	Carbon monophosphide	cp
236	CP^-	carbon monophosphide anion	cp-
237	CP⁺	carbon monophosphide cation	cp+
238	SiN	Silicon nitride	sin
239	SiN^-	silicon mononitride anion	sin-
240	SiN⁺	silicon mononitride cation	sin+
241	SiP^-	Silicon monophosphide anion	sip-
242	SiP⁺	Silicon monophosphide cation	sip+
243	TiN	Titanium mononitride	tin
244	N₂^-	nitrogen diatomic anion	n2-
245	N₂⁺	diatomic nitrogen cation	n2+
246	PN^-	phosphorus nitride anion	pn-
247	PN⁺	phosphorus nitride cation	pn+
248	P₂	Phosphorus diatomic	p2
249	P₂^-	phosphorus diatomic anion	p2-
250	P₂⁺	phosphorus diatomic cation	p2+
251	AsN	Arsenic mononitride	asn
252	AsP	Arsenic monophosphide	asp
253	SbN	Antimony nitride	sbn
254	As₂	Arsenic diatomic	as2
255	HNB	hydrogen nitrogen boron	hnb
256	HNC	hydrogen isocyanide	hnc
257	HCN^-	Hydrogen cyanide anion	hcn-
258	HCP	Phosphaethyne	hcp
259	NNH	Dinitrogen monohydride	nnh
260	HPO	Hydrogen phosphorus oxide	hpo
261	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
262	CNH₂	Aminomethylidyne radical	cnh2
263	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
264	H₂CN	Dihydrogen cyanide radical	h2cn
265	H₂CN⁺	hydrocyanonium cation	h2cn+
266	HCNH	methyleneazane	hcnh
267	HCNH⁺	N-protonated HCN	hcnh+
268	N₂H₂	(E)-diazene	n2h2
269	N₂H₂	(Z)-Diazene	n2h2z
270	N₂H₂⁺	trans-diazene cation	n2h2+
271	CH₂PH	Phosphaethene	ch3p
272	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
273	N₂H₄	Hydrazine	n2h4
274	N₂H₄⁺	hydrazine cation	n2h4+
275	P₂H₄	Diphosphine	p2h4
276	CH₃NH₂⁺	methyl amine cation	ch3nh2+
277	CH₃PH₂	Methyl phosphine	ch3ph2
278	N₂H₅⁺	protonated hydrazine	n2h5+
279	BH₃NH₃	borane ammonia	bh3nh3
280	CH₃NH₃⁺	protonated methylamine	ch3nh3+
281	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
282	NH₃NH₃	Ammonia Dimer	nh3nh3
283	LiO	lithium oxide	lio
284	LiO^-	lithium oxide anion	lio-
285	LiO⁺	lithium oxide cation	lio+
286	LiS	Lithium monosulfide	lis
287	LiS⁺	Lithium sulfide cation	lis+
288	NaO	sodium monoxide	nao
289	NaO^-	sodium oxide anion	nao-
290	NaO⁺	sodium oxide cation	nao+
291	KO	Potassium monoxide	ko
292	KO⁺	Potassium monoxide cation	ko+
293	NaS	Sodium sulfide	nas
294	CuO	Copper Monoxide	cuo
295	BeO	beryllium oxide	beo
296	BeO^-	Beryllium monoxide anion	beo-
297	BeO⁺	Beryllium monoxide cation	beo+
298	BeS	beryllium sulfide	bes
299	MgO	magnesium oxide	mgo
300	MgO^-	magnesium oxide anion	mgo-
301	MgO⁺	magnesium oxide cation	mgo+
302	MgS	magnesium sulfide	mgs
303	MgS^-	magnesium sulfide anion	mgs-
304	MgS⁺	magnesium sulfide cation	mgs+
305	ZnO	zinc monoxide	zno
306	ZnS	Zinc sulfide	zns
307	BeS^-	Beryllium monosulfide anion	bes-
308	BeS⁺	Beryllium monosulfide cation	bes+
309	AlO	Aluminum monoxide	alo
310	AlO^-	Aluminum monoxide anion	alo-
311	AlO⁺	aluminum monoxide cation	alo+
312	BS	boron sulfide	bs
313	BS^-	boron monosulfide anion	bs-
314	BS⁺	boron monosulfide cation	bs+
315	AlS	Aluminum sulfide	als
316	AlS^-	aluminum monosulfide anion	als-
317	AlS⁺	aluminum monosulfide cation	als+
318	ScO	Scandium monoxide	sco
319	BO⁺	boron monoxide cation	bo+
320	CO^-	carbon monoxide anion	co-
321	CS^-	carbon monosulfide anion	cs-
322	CS⁺	carbon monosulfide cation	cs+
323	SiO^-	silicon monoxide anion	sio-
324	SiO⁺	silicon monoxide cation	sio+
325	SiS^-	silicon monosulfide anion	sis-
326	SiS⁺	silicon monosulfide cation	sis+
327	TiO	Titanium monoxide	tio
328	CSe^-	Carbon monoselenide anion	cse-
329	CSe⁺	Carbon monoselenide cation	cse+
330	GeO⁺	Germanium monoxide cation	geo+
331	GeS	Germanium monosulfide	ges
332	NS	Mononitrogen monosulfide	ns
333	NS^-	nitrogen sulfide anion	ns-
334	NS⁺	nitrogen sulfide cation	ns+
335	PO	Phosphorus monoxide	po
336	PO^-	phosphorus monoxide anion	po-
337	PO⁺	phosphorus monoxide cation	po+
338	PS^-	phosphorus monosulfide anion	ps-
339	PS⁺	phosphorus monosulfide cation	ps+
340	VO	Vanadium monoxide	vo
341	AsO	Arsenic monoxide	aso
342	NSe	Nitrogen monoselenide	nse
343	AsS	Arsenic monosulfide	ass
344	PSe	Phosphorus monoselenide	pse
345	AsSe	Arsenic monoselenide	asse
346	O₂^-	oxygen diatomic anion	o2-
347	O₂⁺	diatomic oxygen cation	o2+
348	SO^-	sulfur monoxide anion	so-
349	S₂^-	sulfur diatomic anion	s2-
350	S₂⁺	sulfur diatomic cation	s2+
351	SeO^-	selenium monoxide anion	seo-
352	SeO⁺	selenium monoxide cation	seo+
353	SeS	Selenium monosulfide	ses
354	SeS^-	selenium monosulfide anion	ses-
355	SeS⁺	selenium monosulfide cation	ses+
356	TeO	Tellurium monoxide	teo
357	Se₂^-	selenium diatomic anion	se2-
358	Se₂⁺	selenium diatomic cation	se2+
359	Te₂	Tellurium diatomic	te2
360	NaOH	sodium hydroxide	naoh
361	KOH	Potassium hydroxide	koh
362	MgOH	magnesium hydroxide	mgoh
363	CaOH	Calcium monohydroxide	caoh
364	COH⁺	Carbon Monoxide, protonated	coh+
365	HCS	Thioformyl radical	hcs
366	HCS^-	Thioformyl anion	hcs-
367	HCS⁺	Thioformyl cation	hcs+
368	HNO^-	Nitrosyl hydride anion	hno-
369	NOH	Hydroxyimidogen	noh
370	NOH⁺	O-protonated nitric oxide	noh+
371	HNS	Sulfur imide	hns
372	HNS^-	Sulfur imide anion	hns-
373	HO₂^-	Hydroperoxy anion	ho2-
374	HO₂⁺	Hydroperoxy cation	ho2+
375	HS₂	Thiosulfeno radical	hs2
376	HOCH	hydroxycarbene	hoch
377	H₂CS⁺	thioformaldehyde cation	h2cs+
378	H₂NO	nitroxide	h2no
379	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
380	H₂S₂	Disulfane	h2s2
381	H₂S₂⁺	hydrogen disulfide cation	h2s2+
382	CH₂OH	Hydroxymethyl radical	ch2oh
383	CH₂OH⁺	hydroxymethyl cation	ch2oh+
384	CH₃O	Methoxy radical	ch3o
385	CH₃O^-	methoxy anion	ch3o-
386	CH₃O⁺	Methoxy cation	ch3o+
387	CH₃S	thiomethoxy	ch3s
388	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
389	NH₃O	Ammonia Oxide	nh3o
390	H₂POH	Phosphinous acid	h2poh
391	H₃PO	Phosphine oxide	h3po
392	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
393	CH₃OH^-	Methyl alcohol anion	ch3oh-
394	CH₃SH	Methanethiol	ch3sh
395	CH₃SH⁺	Methanethiol cation	ch3sh+
396	CH₃SeH	Methane selenol	ch3seh
397	H₂OH₂O	water dimer	h2oh2o
398	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
399	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
400	H₂ONH₃	Water Ammonia Dimer	h2onh3
401	LiCl^-	lithium chloride anion	licl-
402	LiCl⁺	lithium chloride cation	licl+
403	NaF	sodium fluoride	naf
404	NaF^-	sodium fluoride anion	naf-
405	KF	Potassium Fluoride	kf
406	NaCl	Sodium Chloride	nacl
407	NaCl^-	sodium chloride anion	nacl-
408	NaCl⁺	sodium chloride cation	nacl+
409	KCl	Potassium Chloride	kcl
410	CuF	Copper monofluoride	cuf
411	LiBr^-	lithium bromide anion	libr-
412	LiBr⁺	lithium bromide cation	libr+
413	CuCl	Copper monochloride	cucl
414	NaBr	Sodium Bromide	nabr
415	NaBr^-	sodium bromide anion	nabr-
416	NaBr⁺	sodium bromide cation	nabr+
417	KBr	Potassium Bromide	kbr
418	LiI	Lithium Iodide	lii
419	NaI	Sodium Iodide	nai
420	KI	Potassium Iodide	ki
421	LiF^-	lithium fluoride anion	lif-
422	BeF	Beryllium monofluoride	bef
423	BeF^-	Beryllium monofluoride anion	bef-
424	BeF⁺	Beryllium monofluoride cation	bef+
425	BeCl	beryllium monochloride	becl
426	MgF	Magnesium monofluoride	mgf
427	MgF^-	magnesium fluoride anion	mgf-
428	MgF⁺	magnesium fluoride cation	mgf+
429	CaF	Calcium monofluoride	caf
430	MgCl	magnesium monochloride	mgcl
431	MgCl^-	magnesium monochloride anion	mgcl-
432	MgCl⁺	magnesium monochloride cation	mgcl+
433	CaCl	calcium monochloride	cacl
434	TiCl	Titanium Monochloride	ticl
435	ZnF	Zinc monofluoride	znf
436	ZnF^-	Zinc monofluoride anion	znf-
437	ZnF⁺	Zinc monofluoride cation	znf+
438	ZnCl	Zinc monochloride	zncl
439	BeCl^-	beryllium monochloride anion	becl-
440	BeCl⁺	beryllium monochloride cation	becl+
441	BF^-	Boron monofluoride anion	bf-
442	BF⁺	Boron monofluoride cation	bf+
443	AlF^-	Aluminum monofluoride anion	alf-
444	AlF⁺	Aluminum monofluoride cation	alf+
445	BCl	boron monochloride	bcl
446	BCl^-	boron monochloride anion	bcl-
447	BCl⁺	boron monochloride cation	bcl+
448	AlCl	Aluminum monochloride	alcl
449	AlCl^-	aluminum monochloride anion	alcl-
450	AlCl⁺	aluminum monochloride cation	alcl+
451	ScF	Scandium monofluoride	scf
452	BBr	Boron monobromide	bbr
453	GaF⁺	Gallium monofluoride cation	gaf+
454	GaCl⁺	Gallium monochloride cation	gacl+
455	AlI	Aluminum monoiodide	ali
456	CF⁺	carbon monofluoride cation	cf+
457	CCl	carbon monochloride	ccl
458	CCl^-	carbon monochloride anion	ccl-
459	CCl⁺	carbon monochloride cation	ccl+
460	SiF	silicon monofluoride	sif
461	SiF^-	silicon monofluoride anion	sif-
462	SiF⁺	silicon monofluoride cation	sif+
463	SiCl^-	silicon monochloride anion	sicl-
464	SiCl⁺	silicon monochloride cation	sicl+
465	GeF⁺	Germanium monofluoride cation	gef+
466	NF	nitrogen fluoride	nf
467	NF^-	nitrogen monofluorine anion	nf-
468	NF⁺	nitrogen monofluoirde cation	nf+
469	NCl^-	nitrogen monochloride anion	ncl-
470	NCl⁺	nitrogen monochloride cation	ncl+
471	PF	phosphorus monofluoride	pf
472	PF^-	phosphorus monofluoride anion	pf-
473	PF⁺	phosphorus monofluoride cation	pf+
474	PCl	phosphorus chloride	pcl
475	PCl^-	phosphorus monochloride anion	pcl-
476	PCl⁺	phosphorus monochloride cation	pcl+
477	AsF	Arsenic monofluoride	asf
478	NBr	nitrogen monobromide	nbr
479	AsCl	Arsenic monochloride	ascl
480	SbF	Antimony monofluoride	sbf
481	SbCl	Antimony monochloride	sbcl
482	FO	Oxygen monofluoride	fo
483	FO^-	flourine oxide anion	fo-
484	FO⁺	fluorine monoxide cation	fo+
485	ClO^-	chlorine monoxide anion	clo-
486	SF^-	sulfur monofluoride anion	sf-
487	SCl	sulfur monochloride	scl
488	SCl^-	sulfur monochloride anion	scl-
489	BrO^-	Bromine monoxide anion	bro-
490	SeF	Selenium monofluoride	sef
491	SeCl	Selenium monochloride	secl
492	IO	Iodine monoxide	io
493	F₂^-	flourine diatomic anion	f2-
494	ClF^-	clorine monofluoride anion	clf-
495	Cl₂^-	chlorine diatomic anion	cl2-
496	BrF^-	bromine fluoride anion	brf-
497	BrF⁺	bromine fluoride cation	brf+
498	BrCl^-	bromine chloride anion	brcl-
499	BrCl⁺	bromine chloride cation	brcl+
500	IF	Iodine monofluoride	if

count

Species

Name

file name

problem

D^-

Deuterium atom anion

D⁺

Deuterium atom cation

H^-

Hydrogen atom anion

H₂^-

hydrogen diatomic anion

h2-

H₂⁺

Hydrogen cation

h2+

H₃⁺

hydrogen trimer cation

h3+

He^-

Helium atom anion

he-

HeH

Helium hydride

heh

Li^-

Lithium atom anion

li-

Li⁺

Lithium atom cation

li+

Na^-

Sodium atom anion

na-

Na⁺

Sodium atom cation

na+

Potassium atom

K^-

Potassium atom anion

K⁺

Potassium atom cation

Copper atom

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+

Potassium hydride

KH⁺

Potassium hydrogen cation

kh+

CuH

Copper monohydride

cuh

Be^-

Beryllium atom anion

be-

Mg^-

Magnesium atom anion

mg-

Ca^-

Calcium atom anion

ca-

Ca⁺

Calcium atom cation

ca+

Zinc atom

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

CaH₂

Calcium Hydride

cah2

ZnH₂

Zinc hydride

znh2

B^-

Boron atom anion

Scandium atom

Sc⁺

Scandium cation

sc+

BH^-

boron monohydride anion

bh-

BH⁺

boron monohydride cation

bh+

AlH^-

aluminum monohydride anion

alh-

AlH⁺

aluminum monohydride cation

alh+

ScH

Scandium monohydride

sch

ScH⁺

Scandium monohydride cation

sch+

BH₂^-

boron dihydride anion

bh2-

BH₂⁺

Boron dihydride cation

bh2+

AlH₂^-

aluminum dihydride anion

alh2-

AlH₂⁺

aluminum dihydride cation

alh2+

BH₃^-

boron trihydride anion

bh3-

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 cation

ch2+

SiH₂^-

silicon dihydride anion

sih2-

SiH₂⁺

silicon dihydride cation

sih2+

GeH₂^-

germylene anion

geh2-

CH₃^-

methyl anion

ch3-

SiH₃^-

Silyl anion

sih3-

CD₄

methane-d4

cd4

CH₂D₂

methane-d2

ch2d2

CH₃D

methane-d

ch3d

CH₄^-

Methane anion

ch4-

CH₄⁺

Methane cation

ch4+

CHD₃

methane-d3

chd3

SiH₄⁺

Silane cation

sih4+

SnH₄

Stannane

snh4

N^-

Nitrogen atom anion

P^-

Phosphorus atom anion

P⁺

Phosphorus atom cation

Vanadium atom

V⁺

Vanadium atom cation

Antimony atom

NH^-

Imidogen anion

nh-

NH⁺

imidogen cation

nh+

PH^-

phosphorus monohydride anion

ph-

100

PH⁺

phosphorus monohydride cation

ph+

101

AsH⁺

Arsenic monohydride cation

ash+

102

SbH

Antimony monohydride

sbh

103

NH₂^-

amino anion

nh2-

104

PH₂^-

Phosphino anion

ph2-

105

PH₂⁺

Phosphino cation

ph2+

106

AsH₂

Arsenic dihydride

ash2

107

AsH₂⁺

Arsenic dihydride cation

ash2+

108

NH₃^-

Ammonia anion

nh3-

109

NH₃⁺

ammonia cation

nh3+

110

SbH₃

Stibine

sbh3

111

NH₄⁺

ammonium cation

nh4+

112

PH₄⁺

phosphonium cation

ph4+

113

O^-

Oxygen atom anion

114

S^-

Sulfur atom anion

115

S⁺

Sulfur atom cation

116

Chromium atom

117

Tellurium atom

118

Te⁺

Tellurium atom cation

te+

119

OH^-

hydroxide anion

oh-

120

CrH⁺

Chromium hydride cation

crh+

121

TeH

Telluryl radical

teh

122

H₂S^-

Hydrogen sulfide anion

h2s-

123

H₂S⁺

Hydrogen sulfide cation

h2s+

124

H₂Te

Hydrogen Telluride

h2te

125

H₃O⁺

hydronium cation

h3o+

126

F^-

Fluorine atom anion

127

Cl^-

Chlorine atom anion

cl-

128

Manganese atom

129

Iodine atom

iodine

130

I^-

Iodine atom anion

iodine-

131

I⁺

Iodine atom cation

iodine+

132

Hydrogen iodide

133

HI⁺

Hydrogen iodide cation

hi+

134

H₂F⁺

dihydrogen fluoride cation

h2f+

135

H₂I⁺

Iodonium

h2i+

136

Ne^-

Neon atom anion

ne-

137

Ar^-

Argon atom anion

ar-

138

Ar⁺

Argon atom cation

ar+

139

Iron atom

140

Xenon atom

141

NeH

neon hydrogen

neh

142

NeH⁺

neon hydrogen cation

neh+

143

XeH⁺

Xenon, protonated

xeh+

144

H₂Ar

H2 Ar dimer

h2ar

145

Cobalt atom

cobalt

146

Nickel atom

147

Li₂

Lithium diatomic

li2

148

Li₂^-

lithium diatomic anion

li2-

149

Li₂⁺

lithium diatomic cation

li2+

150

NaLi^-

lithium sodium anion

lina-

151

NaLi⁺

lithium sodium cation

lina+

152

LiK

Lithium Potassium

lik

153

Na₂⁺

sodium diatomic cation

na2+

154

NaK

Sodium Potassium

nak

155

NaK⁺

Sodium Potassium diatomic cation

nak+

156

K₂

Potassium diatomic

157

Cu₂

Copper diatomic

cu2

158

LiBe

Lithium Beryllium

libe

159

LiMg

Lithium magnesium

limg

160

NaBe

Sodium Beryllium

nabe

161

NaMg

Sodium Magnesium

namg

162

Be₂

Beryllium diatomic

be2

163

Be₂^-

Beryllium diatomic anion

be2-

164

Be₂⁺

Beryllium diatomic cation

be2+

165

BeMg

Beryllium Magnesium

bemg

166

Mg₂

Magnesium diatomic

mg2

167

Mg₂^-

magnesium diatomic anion

mg2-

168

Mg₂⁺

magnesium diatomic cation

mg2+

169

Ca₂

Calcium diatomic

ca2

170

LiB

Lithium boride

lib

171

NaAl

Sodium aluminum

naal

172

BeB

Beryllium monoboride

beb

173

B₂

Boron diatomic

174

B₂^-

Boron diatomic anion

b2-

175

B₂⁺

Boron diatomic cation

b2+

176

BAl

Boron Aluminum

bal

177

Al₂

Aluminum diatomic

al2

178

Al₂^-

aluminum diatomic anion

al2-

179

Al₂⁺

aluminum diatomic cation

al2+

180

BGa

Boron Gallium

bga

181

AlGa

Aluminum Gallium

alga

182

Ga₂

Gallium diatomic

ga2

183

LiBH₄

Lithium borohydride

libh4

184

HBHHBH

Diborane(4) C2V

hbhhbh

185

Al₂H₆

dialane

al2h6

186

Ga₂H₆

digallane

ga2h6

187

LiC

Lithium Carbide

lic

188

BeC

Beryllium Carbide

bec

189

boron monocarbide

190

BC^-

boron monocarbide anion

bc-

191

BC⁺

boron monocarbide cation

bc+

192

AlC

Aluminum carbide

alc

193

C₂

Carbon diatomic

194

C₂^-

carbon diatomic anion

c2-

195

C₂⁺

carbon diatomic cation

c2+

196

SiC

silicon monocarbide

sic

197

SiC^-

silicon monocarbide anion

sic-

198

SiC⁺

silicon monocarbide cation

sic+

199

Si₂^-

silcon diatomic anion

si2-

200

Si₂⁺

silcon diatomic cation

si2+

201

Ge₂

Germanium diatomic

ge2

202

C₂H

Ethynyl radical

c2h

203

C₂H⁺

Ethynyl cation

c2h+

204

ZnCH₂

Zinc methylene

znch2

205

CCH₂

vinylidene

206

CuCH₃

monomethyl copper

cuch3

207

ZnCH₃

Zinc monomethyl

znch3

208

CH₂BH

methyleneborane

ch2bh

209

C₂H₃^-

vinyl anion

c2h3-

210

C₂H₄^-

Ethylene anion

c2h4-

211

C₂H₄⁺

Ethylene cation

c2h4+

212

CH₃CH

methylmethylene

ch3ch

213

CH₂SiH₂

silaethylene

ch2sih2

214

CH₃BH₂

methylborane

ch3bh2

215

C₂H₅^-

Ethyl anion

c2h5-

216

C₂H₅⁺

Ethyl cation

c2h5+

217

C₂H₆⁺

ethane cation

c2h6+

218

CH₃SiH₃

methyl silane

ch3sih3

219

GeH₃CH₃

methyl germane

geh3ch3

220

C₂H₇⁺

Ethane, protonated

c2h7+

221

LiN⁺

Lithium Nitride cation

lin+

222

BeN

Beryllium mononitride

ben

223

BeN^-

Beryllium mononitride anion

ben-

224

BeN⁺

Beryllium mononitride cation

ben+

225

BN^-

boron nitride anion

bn-

226

AlN^-

aluminum mononitride anion

aln-

227

AlN⁺

aluminum mononitride cation

aln+

228

Boron monophosphide

229

AlP

Aluminum monophosphide

alp

230

GaN

Gallium mononitride

gan

231

GaP

Gallium monophosphide

gap

232

BN⁺

boron nitride cation

bn+

233

CN^-

cyanide anion

cn-

234

CN⁺

Cyano cation

cn+

235

Carbon monophosphide

236

CP^-

carbon monophosphide anion

cp-

237

CP⁺

carbon monophosphide cation

cp+

238

SiN

Silicon nitride

sin

239

SiN^-

silicon mononitride anion

sin-

240

SiN⁺

silicon mononitride cation

sin+

241

SiP^-

Silicon monophosphide anion

sip-

242

SiP⁺

Silicon monophosphide cation

sip+

243

TiN

Titanium mononitride

tin

244

N₂^-

nitrogen diatomic anion

n2-

245

N₂⁺

diatomic nitrogen cation

n2+

246

PN^-

phosphorus nitride anion

pn-

247

PN⁺

phosphorus nitride cation

pn+

248

P₂

Phosphorus diatomic

249

P₂^-

phosphorus diatomic anion

p2-

250

P₂⁺

phosphorus diatomic cation

p2+

251

AsN

Arsenic mononitride

asn

252

AsP

Arsenic monophosphide

asp

253

SbN

Antimony nitride

sbn

254

As₂

Arsenic diatomic

as2

255

HNB

hydrogen nitrogen boron

hnb

256

HNC

hydrogen isocyanide

hnc

257

HCN^-

Hydrogen cyanide anion

hcn-

258

HCP

Phosphaethyne

hcp

259

NNH

Dinitrogen monohydride

nnh

260

HPO

Hydrogen phosphorus oxide

hpo

261

HPO⁺

Hydrogen phosphorus oxide cation

hpo+

262

CNH₂

Aminomethylidyne radical

cnh2

263

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

264

H₂CN

Dihydrogen cyanide radical

h2cn

265

H₂CN⁺

hydrocyanonium cation

h2cn+

266

HCNH

methyleneazane

hcnh

267

HCNH⁺

N-protonated HCN

hcnh+

268

N₂H₂

(E)-diazene

n2h2

269

N₂H₂

(Z)-Diazene

n2h2z

270

N₂H₂⁺

trans-diazene cation

n2h2+

271

CH₂PH

Phosphaethene

ch3p

272

CH₂NH₂⁺

methyleneamine cation

ch2nh2+

273

N₂H₄

Hydrazine

n2h4

274

N₂H₄⁺

hydrazine cation

n2h4+

275

P₂H₄

Diphosphine

p2h4

276

CH₃NH₂⁺

methyl amine cation

ch3nh2+

277

CH₃PH₂

Methyl phosphine

ch3ph2

278

N₂H₅⁺

protonated hydrazine

n2h5+

279

BH₃NH₃

borane ammonia

bh3nh3

280

CH₃NH₃⁺

protonated methylamine

ch3nh3+

281

CH₃PH₃⁺

methyl phosphine, protonated

ch3ph3+

282

NH₃NH₃

Ammonia Dimer

nh3nh3

283

LiO

lithium oxide

lio

284

LiO^-

lithium oxide anion

lio-

285

LiO⁺

lithium oxide cation

lio+

286

LiS

Lithium monosulfide

lis

287

LiS⁺

Lithium sulfide cation

lis+

288

NaO

sodium monoxide

nao

289

NaO^-

sodium oxide anion

nao-

290

NaO⁺

sodium oxide cation

nao+

291

Potassium monoxide

292

KO⁺

Potassium monoxide cation

ko+

293

NaS

Sodium sulfide

nas

294

CuO

Copper Monoxide

cuo

295

BeO

beryllium oxide

beo

296

BeO^-

Beryllium monoxide anion

beo-

297

BeO⁺

Beryllium monoxide cation

beo+

298

BeS

beryllium sulfide

bes

299

MgO

magnesium oxide

mgo

300

MgO^-

magnesium oxide anion

mgo-

301

MgO⁺

magnesium oxide cation

mgo+

302

MgS

magnesium sulfide

mgs

303

MgS^-

magnesium sulfide anion

mgs-

304

MgS⁺

magnesium sulfide cation

mgs+

305

ZnO

zinc monoxide

zno

306

ZnS

Zinc sulfide

zns

307

BeS^-

Beryllium monosulfide anion

bes-

308

BeS⁺

Beryllium monosulfide cation

bes+

309

AlO

Aluminum monoxide

alo

310

AlO^-

Aluminum monoxide anion

alo-

311

AlO⁺

aluminum monoxide cation

alo+

312

boron sulfide

313

BS^-

boron monosulfide anion

bs-

314

BS⁺

boron monosulfide cation

bs+

315

AlS

Aluminum sulfide

als

316

AlS^-

aluminum monosulfide anion

als-

317

AlS⁺

aluminum monosulfide cation

als+

318

ScO

Scandium monoxide

sco

319

BO⁺

boron monoxide cation

bo+

320

CO^-

carbon monoxide anion

co-

321

CS^-

carbon monosulfide anion

cs-

322

CS⁺

carbon monosulfide cation

cs+

323

SiO^-

silicon monoxide anion

sio-

324

SiO⁺

silicon monoxide cation

sio+

325

SiS^-

silicon monosulfide anion

sis-

326

SiS⁺

silicon monosulfide cation

sis+

327

TiO

Titanium monoxide

tio

328

CSe^-

Carbon monoselenide anion

cse-

329

CSe⁺

Carbon monoselenide cation

cse+

330

GeO⁺

Germanium monoxide cation

geo+

331

GeS

Germanium monosulfide

ges

332

Mononitrogen monosulfide

333

NS^-

nitrogen sulfide anion

ns-

334

NS⁺

nitrogen sulfide cation

ns+

335

Phosphorus monoxide

336

PO^-

phosphorus monoxide anion

po-

337

PO⁺

phosphorus monoxide cation

po+

338

PS^-

phosphorus monosulfide anion

ps-

339

PS⁺

phosphorus monosulfide cation

ps+

340

Vanadium monoxide

341

AsO

Arsenic monoxide

aso

342

NSe

Nitrogen monoselenide

nse

343

AsS

Arsenic monosulfide

ass

344

PSe

Phosphorus monoselenide

pse

345

AsSe

Arsenic monoselenide

asse

346

O₂^-

oxygen diatomic anion

o2-

347

O₂⁺

diatomic oxygen cation

o2+

348

SO^-

sulfur monoxide anion

so-

349

S₂^-

sulfur diatomic anion

s2-

350

S₂⁺

sulfur diatomic cation

s2+

351

SeO^-

selenium monoxide anion

seo-

352

SeO⁺

selenium monoxide cation

seo+

353

SeS

Selenium monosulfide

ses

354

SeS^-

selenium monosulfide anion

ses-

355

SeS⁺

selenium monosulfide cation

ses+

356

TeO

Tellurium monoxide

teo

357

Se₂^-

selenium diatomic anion

se2-

358

Se₂⁺

selenium diatomic cation

se2+

359

Te₂

Tellurium diatomic

te2

360

NaOH

sodium hydroxide

naoh

361

KOH

Potassium hydroxide

koh

362

MgOH

magnesium hydroxide

mgoh

363

CaOH

Calcium monohydroxide

caoh

364

COH⁺

Carbon Monoxide, protonated

coh+

365

HCS

Thioformyl radical

hcs

366

HCS^-

Thioformyl anion

hcs-

367

HCS⁺

Thioformyl cation

hcs+

368

HNO^-

Nitrosyl hydride anion

hno-

369

NOH

Hydroxyimidogen

noh

370

NOH⁺

O-protonated nitric oxide

noh+

371

HNS

Sulfur imide

hns

372

HNS^-

Sulfur imide anion

hns-

373

HO₂^-

Hydroperoxy anion

ho2-

374

HO₂⁺

Hydroperoxy cation

ho2+

375

HS₂

Thiosulfeno radical

hs2

376

HOCH

hydroxycarbene

hoch

377

H₂CS⁺

thioformaldehyde cation

h2cs+

378

H₂NO

nitroxide

h2no

379

H₂O₂⁺

Hydrogen peroxide cation

h2o2+

380

H₂S₂

Disulfane

h2s2

381

H₂S₂⁺

hydrogen disulfide cation

h2s2+

382

CH₂OH

Hydroxymethyl radical

ch2oh

383

CH₂OH⁺

hydroxymethyl cation

ch2oh+

384

CH₃O

Methoxy radical

ch3o

385

CH₃O^-

methoxy anion

ch3o-

386

CH₃O⁺

Methoxy cation

ch3o+

387

CH₃S

thiomethoxy

ch3s

388

H₂CSH⁺

Thioformaldehyde, protonated

h2csh+

389

NH₃O

Ammonia Oxide

nh3o

390

H₂POH

Phosphinous acid

h2poh

391

H₃PO

Phosphine oxide

h3po

392

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

393

CH₃OH^-

Methyl alcohol anion

ch3oh-

394

CH₃SH

Methanethiol

ch3sh

395

CH₃SH⁺

Methanethiol cation

ch3sh+

396

CH₃SeH

Methane selenol

ch3seh

397

H₂OH₂O

water dimer

h2oh2o

398

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

399

CH₃SH₂⁺

protonated methylsulfide

ch3sh2+

400

H₂ONH₃

Water Ammonia Dimer

h2onh3

401

LiCl^-

lithium chloride anion

licl-

402

LiCl⁺

lithium chloride cation

licl+

403

NaF

sodium fluoride

naf

404

NaF^-

sodium fluoride anion

naf-

405

Potassium Fluoride

406

NaCl

Sodium Chloride

nacl

407

NaCl^-

sodium chloride anion

nacl-

408

NaCl⁺

sodium chloride cation

nacl+

409

KCl

Potassium Chloride

kcl

410

CuF

Copper monofluoride

cuf

411

LiBr^-

lithium bromide anion

libr-

412

LiBr⁺

lithium bromide cation

libr+

413

CuCl

Copper monochloride

cucl

414

NaBr

Sodium Bromide

nabr

415

NaBr^-

sodium bromide anion

nabr-

416

NaBr⁺

sodium bromide cation

nabr+

417

KBr

Potassium Bromide

kbr

418

LiI

Lithium Iodide

lii

419

NaI

Sodium Iodide

nai

420

Potassium Iodide

421

LiF^-

lithium fluoride anion

lif-

422

BeF

Beryllium monofluoride

bef

423

BeF^-

Beryllium monofluoride anion

bef-

424

BeF⁺

Beryllium monofluoride cation

bef+

425

BeCl

beryllium monochloride

becl

426

MgF

Magnesium monofluoride

mgf

427

MgF^-

magnesium fluoride anion

mgf-

428

MgF⁺

magnesium fluoride cation

mgf+

429

CaF

Calcium monofluoride

caf

430

MgCl

magnesium monochloride

mgcl

431

MgCl^-

magnesium monochloride anion

mgcl-

432

MgCl⁺

magnesium monochloride cation

mgcl+

433

CaCl

calcium monochloride

cacl

434

TiCl

Titanium Monochloride

ticl

435

ZnF

Zinc monofluoride

znf

436

ZnF^-

Zinc monofluoride anion

znf-

437

ZnF⁺

Zinc monofluoride cation

znf+

438

ZnCl

Zinc monochloride

zncl

439

BeCl^-

beryllium monochloride anion

becl-

440

BeCl⁺

beryllium monochloride cation

becl+

441

BF^-

Boron monofluoride anion

bf-

442

BF⁺

Boron monofluoride cation

bf+

443

AlF^-

Aluminum monofluoride anion

alf-

444

AlF⁺

Aluminum monofluoride cation

alf+

445

BCl

boron monochloride

bcl

446

BCl^-

boron monochloride anion

bcl-

447

BCl⁺

boron monochloride cation

bcl+

448

AlCl

Aluminum monochloride

alcl

449

AlCl^-

aluminum monochloride anion

alcl-

450

AlCl⁺

aluminum monochloride cation

alcl+

451

ScF

Scandium monofluoride

scf

452

BBr

Boron monobromide

bbr

453

GaF⁺

Gallium monofluoride cation

gaf+

454

GaCl⁺

Gallium monochloride cation

gacl+

455

AlI

Aluminum monoiodide

ali

456

CF⁺

carbon monofluoride cation

cf+

457

CCl

carbon monochloride

ccl

458

CCl^-

carbon monochloride anion

ccl-

459

CCl⁺

carbon monochloride cation

ccl+

460

SiF

silicon monofluoride

sif

461

SiF^-

silicon monofluoride anion

sif-

462

SiF⁺

silicon monofluoride cation

sif+

463

SiCl^-

silicon monochloride anion

sicl-

464

SiCl⁺

silicon monochloride cation

sicl+

465

GeF⁺

Germanium monofluoride cation

gef+

466

nitrogen fluoride

467

NF^-

nitrogen monofluorine anion

nf-

468

NF⁺

nitrogen monofluoirde cation

nf+

469

NCl^-

nitrogen monochloride anion

ncl-

470

NCl⁺

nitrogen monochloride cation

ncl+

471

phosphorus monofluoride

472

PF^-

phosphorus monofluoride anion

pf-

473

PF⁺

phosphorus monofluoride cation

pf+

474

PCl

phosphorus chloride

pcl

475

PCl^-

phosphorus monochloride anion

pcl-

476

PCl⁺

phosphorus monochloride cation

pcl+

477

AsF

Arsenic monofluoride

asf

478

NBr

nitrogen monobromide

nbr

479

AsCl

Arsenic monochloride

ascl

480

SbF

Antimony monofluoride

sbf

481

SbCl

Antimony monochloride

sbcl

482

Oxygen monofluoride

483

FO^-

flourine oxide anion

fo-

484

FO⁺

fluorine monoxide cation

fo+

485

ClO^-

chlorine monoxide anion

clo-

486

SF^-

sulfur monofluoride anion

sf-

487

SCl

sulfur monochloride

scl

488

SCl^-

sulfur monochloride anion

scl-

489

BrO^-

Bromine monoxide anion

bro-

490

SeF

Selenium monofluoride

sef

491

SeCl

Selenium monochloride

secl

492

Iodine monoxide

493

F₂^-

flourine diatomic anion

f2-

494

ClF^-

clorine monofluoride anion

clf-

495

Cl₂^-

chlorine diatomic anion

cl2-

496

BrF^-

bromine fluoride anion

brf-

497

BrF⁺

bromine fluoride cation

brf+

498

BrCl^-

bromine chloride anion

brcl-

499

BrCl⁺

bromine chloride cation

brcl+

500

Iodine monofluoride

501

ICl

Iodine monochloride

icl

502

IBr

Iodine monobromide

ibr

503

I₂

Iodine diatomic

504

I₂⁺

Iodine diatomic cation

i2+

505

HCCl

Chloromethylene

hccl

506

CHBr

bromomethylene

chbr

507

DOCl

Hypochlorous acid-d

docl

508

HOBr

Hypobromous acid

hobr

509

HOBr⁺

Hypobromous acid cation

hobr+

510

HOI

Hypoiodous acid

hoi

511

FHF

Hydrogen difluoride

fhf

512

FHF^-

Hydrogen difluoride anion

fhf-

513

NH₂F

monofluoroamine

nh2f

514

H₂F₂

Hydrogen fluoride dimer

h2f2

515

CD₃F

methylfluoride-d3

cd3f

516

CH₃F

Methyl fluoride

ch3f

517

CD₃Cl

methyl chloride d3

cd3cl

518

CH₃Cl⁺

Methyl chloride cation

ch3cl+

519

SiH₃Br

bromosilane

sih3br

520

CH₃I

methyl iodide

ch3i

521

SiH₃I

Silyl Iodide

sih3i

522

Ne₂

Neon diatomic

ne2

523

Ne₂⁺

Neon diatomic cation

ne2+

524

Ar₂⁺

Argon diatomic cation

ar2+

525

Li₃

Lithium trimer

li3

526

Li₃⁺

Lithium trimer cation

li3+

527

C₃⁺

carbon trimer cation

c3+

528

C₃H₃

cyclopropenyl radical

cpr

529

C₃H₃

Propargyl radical

propargyl

530

C₃H₃^-

Propargyl anion

c3h3-

531

C₃H₃⁺

cyclopropenyl cation

cpr+

532

C₃H₃⁺

Propargyl cation

c3h3+

533

C₃H₅⁺

Allyl cation

allyl+

534

CH₃CHCH

1-propenyl radical

ch3chch

535

Zn(CH₃)₂

dimethyl zinc

dmz

536

C₃H₇⁺

cyclopropane, protonated

c3h7+

537

CH₃CHCH₃⁺

Isopropyl cation

prop2yl+

538

SiH₂(CH₃)₂

dimethylsilane

dms

539

LiCN

lithium cyanide

licn

540

NaCN

Sodium Cyanide

nacn

541

KCN

Potassium cyanide

kcn

542

CuCN

Copper cyanide

cucn

543

CN₂

3H-Diazirin-3-ylidene

cn2

544

NCN

Cyanoimidogen

ncn

545

N₃

azide radical

546

N₃^-

azide anion

n3-

547

N₃⁺

azide cation

n3+

548

HCCN

cyanomethylene

hccn

549

HCNN

diazomethyl radical

hcnn

550

CH₂N₂

diazirine

ch2n2

551

CH₂NN

diazomethane

ch2nn

552

NH₂CN

cyanamide

553

CH₃CN⁺

Acetonitrile cation

ch3cn+

554

CH₃NC

methyl isocyanide

ch3nc

555

HNCNH₂⁺

diiminomethane, protonated

hncnh2+

556

NCNH₃⁺

Cyanamide, protonated

ncnh3+

557

CH₂CHNH

vinylazine

ch2chnh

558

CH₃CHN

methylmethaniminyl radical

ch3chn

559

NHCHNH₂

aminomethanimine

cn2h4

560

C₂H₅N

Aziridine

c2h5n

561

CH₂CHNH₂

aminoethene

562

CH₂NCH₃

N-methylmethanimine

nmm

563

CH₃CHNH

ethanimine

564

NH₂BHNH₂

diaminoborane

nh2bhnh2

565

C₂H₅NH⁺

Protonated Aziridine

c2h5nh+

566

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

567

CH₃NHCH₃

Dimethylamine

ch3nhch3

568

CH₃PHCH₃

dimethylphosphine

ch3phch3

569

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

570

(CH₃)₂NH₂⁺

dimethylammonium cation

dmam

571

CH₃CH₂NH₃⁺

ethylamine, protonated

pea

572

Li₂O

dilithium oxide

li2o

573

Li₂O⁺

dilithium oxide cation

li2o+

574

Li₂S

dilithium sulfide

li2s

575

Na₂O

disodium monoxide

na2o

576

CCO

Dicarbon monoxide

cco

577

CNO^-

fulminate

cno-

578

NCO^-

cyanate

nco-

579

SCN

thiocyanato radical

scn

580

SCN^-

thiocyanide anion

scn-

581

BO₂

Boron dioxide

bo2

582

BO₂^-

Boron dioxide anion

bo2-

583

BO₂⁺

Boron dioxide cation

bo2+

584

N₂O^-

Nitrous oxide anion

n2o-

585

N₂O⁺

Nitrous oxide cation

n2o+

586

NNS

Nitrogen sulfide

nns

587

PPO

Phosphorus oxide phosphide

ppo

588

CO₂^-

Carbon dioxide anion

co2-

589

CO₂⁺

Carbon dioxide cation

co2+

590

OCS⁺

Carbonyl sulfide cation

cos+

591

SiO₂

silicon dioxide

sio2

592

CS₂^-

Carbon disulfide anion

cs2-

593

CS₂⁺

Carbon disulfide cation

cs2+

594

TiO₂

Titanium dioxide

tio2

595

SiS₂

Silicon disulfide

sis2

596

GeS₂

Germanium disulfide

ges2

597

CSe₂

Carbon diselenide

cse2

598

SCTe

Carbon sulfide Telluride

scte

599

NO₂

Nitrogen dioxide

no2

600

NO₂^-

Nitrogen dioxide anion

no2-

601

NO₂⁺

Nitrogen dioxide cation

no2+

602

PO₂

Phosphorus dioxide

po2

603

PO₂^-

Phosphorus dioxide anion

po2-

604

PO₂⁺

Phosphorus dioxide cation

po2+

605

AsO₂

Aresenic dioxide

aso2

606

O₃

Ozone

607

O₃^-

Ozone anion

o3-

608

O₃⁺

Ozone cation

o3+

609

SO₂^-

Sulfur dioxide anion

so2-

610

SO₂⁺

Sulfur dioxide cation

so2+

611

S₃^-

Sulfur trimer anion

s3-

612

S₃⁺

Sulfur trimer cation

s3+

613

SeO₂⁺

Selenium dioxide cation

seo2+

614

TeO₂

Tellurium Dioxide

teo2

615

CS₂H⁺

Carbon disulfide, protonated

cs2h+

616

HNCO

Isocyanic acid

hnco

617

HOCN

cyanic acid

hocn

618

HCO₂^-

formate anion

hco2-

619

HNNO

nitrosoazane

hnno

620

HNNO⁺

Nitrous oxide, N-protonated

hnno+

621

NNOH⁺

Nitrous Oxide, O-protonated

nnoh+

622

HCOO

formate neutral radical

hcoo

623

HOCO⁺

Hydrocarboxyl cation

hoco+

624

HNO₂

Nitrous acid

hno2

625

HNO₂⁺

nitrous acid cation

hno2+

626

SO₂H⁺

protonated sulfur dioxide

so2h+

627

CH₂CO⁺

Ketene cation

ch2co+

628

HCCOH

ethynol

hccoh

629

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

630

NH₂NO

Nitrosamide

nh2no

631

CH₂O₂

Dioxirane

diox

632

H₂COO

Dioxymethyl radical

h2coo

633

H₂COO⁺

dioxymethyl cation

h2coo+

634

H₂O₃

Hydrogen trioxide

h2o3

635

HSSSH

trisulfane

hsssh

636

NaOCH₃

Sodium methoxide

naoch3

637

CH₂BOH

hydroxy(methylene)borane

ch2boh

638

CH₃BO

Borane, methyloxo-

ch3bo

639

CH₂CHO

Vinyloxy radical

ch2cho

640

CH₃CO^-

Acetyl anion

ch3co-

641

CH₃CO⁺

acetyl cation

ch3co+

642

CH₂NOH

formaldoxime

ch2noh

643

CH₃NO

nitrosomethane

ch3no

644

CHONH₂

formamide

645

CNOH₃

1,2-oxaziridine

cnoh3

646

CH₂OOH

CH2OOH radical

ch2ooh

647

CH₃OO

methylperoxy radical

ch3oo

648

CH₃OO^-

methylperoxy anion

ch3oo-

649

CH₃OO⁺

methylperoxy cation

ch3oo+

650

CH₂CHOH

ethenol

ch2choh

651

H₂CONH₂⁺

protonated formamide

h2conh2+

652

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

653

CH₂(OH)₂

methanediol

ch2o2h2

654

CH₃OOH

Methyl peroxide

ch3ooh

655

H₂OH₂CO

water formaldehyde dimer

h2oh2co

656

CH₂CH₂OH

2-hydroxy ethyl radical

ch2ch2oh

657

CH₃CH₂O

Ethoxy radical

ethoxy

658

CH₃CHOH

1-hydroxy-ethyl radical

ch3choh

659

CH₃CHOH⁺

acetaldehyde, protonated

ch3choh+

660

CH₃OCH₂

methoxymethyl radical

ch3och2

661

CH₃CH₂OH

Ethanol

etoh

662

CH₃OCH₃

Dimethyl ether

meome

663

CH₃SeCH₃

dimethylselenide

dmse

664

CH₃OHH₂O

methanol water dimer

ch3ohh2o

665

H₂OCH₃OH

water methanol dimer

h2och3oh

666

CuF₂

Copper difluoride

cuf2

667

ZnF₂

Zinc difluoride

znf2

668

CNF

iso cyanogen fluoride

cnf

669

FCN

Cyanogen fluoride

fcn

670

ClCN

chlorocyanogen

clcn

671

ICN

Cyanogen iodide

icn

672

BeF₂

Beryllium fluoride

bef2

673

MgF₂

Magnesium fluoride

mgf2

674

BeCl₂

Beryllium chloride

becl2

675

MgCl₂

Magnesium dichloride

mgcl2

676

CaCl₂

Calcium Chloride

cacl2

677

ZnCl₂

Zinc dichloride

zncl2

678

CaF₂

Calcium difluoride

caf2

679

FCO

Carbonyl fluoride

fco

680

FCO⁺

Carbonyl fluoride cation

fco+

681

ClCO

carbonyl monochloride

clco

682

FNS

Thionitrosyl fluoride

fns

683

BrNO

Nitrosyl bromide

brno

684

INO

Nitrosyl iodide

ino

685

CF₂^-

Difluoromethylene anion

cf2-

686

CF₂⁺

Difluoromethylene cation

cf2+

687

CFCl

chlorofluoromethylene

cfcl

688

SiF₂⁺

Silicon difluoride cation

sif2+

689

CCl₂

dichloromethylene

ccl2

690

CCl₂^-

dichloromethylene anion

ccl2-

691

CCl₂⁺

dichloromethylene cation

ccl2+

692

SiCl₂

Dichlorosilylene

sicl2

693

GeF₂

Germanium difluoride

gef2

694

CBr₂

dibromomethylene

cbr2

695

FOO

Dioxygen monofluoride radical

foo

696

ClOO

chloroperoxy radical

cloo

697

ClOO⁺

chloroperoxy cation

cloo+

698

OClO⁺

Chlorine dioxide cation

oclo+

699

ClSO

Sulfur chloride oxide

clso

700

ClS₂

Sulfur chloride

cls2

701

OBrO

Bromine dioxide radical

obro

702

NF₂

Difluoroamino radical

nf2

703

NF₂⁺

Difluoroamino cation

nf2+

704

FClO

chlorosyl fluoride

fclo

705

F₂O

Difluorine monoxide

f2o

706

ClOF

Chlorine hypofluorite

clof

707

SF₂^-

sulfur difluoride anion

sf2-

708

SF₂⁺

sulfur difluoride cation

sf2+

709

Cl₂O

Dichlorine monoxide

cl2o

710

SCl₂

Sulfur dichloride

scl2

711

BrOCl

Bromine hypochlorite

brocl

712

BrOBr

Bromine oxide

brobr

713

F₃^-

trifluoride anion

f3-

714

Cl₃^-

trichloride anion

cl3-

715

I₃^-

triiodide

i3-

716

HCCF⁺

fluoroacetylene cation

hccf+

717

HCCCl

Chloroacetylene

hcccl

718

HCCBr

bromoacetylene

hccbr

719

HFCO

formyl fluoride

hfco

720

HFCO⁺

formyl fluoride cation

hfco+

721

COHCl

Formyl chloride

cohcl

722

COHBr

Formyl bromide

cohbr

723

BHF₂

Difluoroborane

bhf2

724

BHCl₂

Borane, dichloro-

bhcl2

725

CHCl₂

dichloromethyl radical

chcl2

726

HOClO

Chlorous acid

hoclo

727

CH₂FCl

fluorochloromethane

ch2fcl

728

CH₂BrF

Methane, bromofluoro-

ch2fbr

729

CH₂FI

fluoroiodomethane

ch2fi

730

CH₂ClI

chloroiodomethane

ch2cli

731

CH₂BrI

bromoiodomethane

ch2bri

732

CH₂I₂

Diiodomethane

ch2i2

733

SiH₂Cl₂

dichlorosilane

sih2cl2

734

CH₂CHF⁺

fluoroethene cation

ch2chf+

735

C₂H₃Cl

Ethene, chloro-

ch2chcl

736

C₂H₃Br

vinyl bromide

c2h3br

737

C₂H₃I

Vinyl iodide

c2h3i

738

CH₃OCl

methyl hypochlorite

ch3ocl

739

CH₂CH₂Cl

2-chloroethyl radical

ch2ch2cl

740

CHClCH₃

1-chloroethyl radical

chclch3

741

C₂H₅F

fluoroethane

c2h5f

742

CH₃CH₂Cl

Ethyl chloride

c2h5cl

743

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

744

C₂H₅I

Ethyl iodide

c2h5i

745

KrF₂

Krypton difluoride

krf2

746

XeF₂

Xenon difluoride

xef2

747

B₄H₁₀

Tetraborane(10)

b4h10

748

C₄⁺

Carbon tetramer cation

c4+

749

C₄H₂

Diacetylene

c4h2

750

C₂H₃CCH

1-Buten-3-yne

c2h3cch

751

C₄H₄

cyclobutadiene

cbd

752

H₂CCCCH₂

Butatriene

h2cccch2

753

C₄H₆

Cyclobutene

c822355

754

C₄H₆

Methylenecyclopropane

c6142730

755

CH₂CCHCH₃

1,2-Butadiene

butad12

756

CH₂CHCHCH₂

1,3-Butadiene

c106990

757

CH₃CCCH₃

2-Butyne

c503173

758

CHCCH₂CH₃

1-Butyne

c107006

759

CH₃CHCHCH₂

methylallyl radical

c4h7

760

C₄H₈

methylcyclopropane

mcp

761

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

762

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

763

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

764

B(CH₃)₃

trimethylborane

bme3

765

Al(CH₃)₃

trimethyl aluminum

tma

766

C(CH₃)₃

Tert-butyl radical

tbutyl

767

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

768

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

769

CH₃CH(CH₃)CH₃

Isobutane

isobutane

770

SiH(CH₃)₃

trimethylsilane

trimsi

771

Li₃N

trilithium nitride

li3n

772

C₂N₂

Cyanogen

c2n2

773

C₂N₂⁺

Cyanogen cation

c2n2+

774

P₄

Phosphorus tetramer

775

HCCCN

Cyanoacetylene

hcccn

776

HCCCN⁺

Cyanoacetylene cation

hcccn+

777

C₃H₃N

acrylonitrile

ch2chcn

778

C₃H₃N⁺

acrylonitrile cation

ch2chcn+

779

CH₃N₃

methyl azide

ch3n3

780

NH₂CCNH₂

Diaminoacetylene

daa

781

NH₂CH₂CN

Aminoacetonitrile

aan

782

CH₃NHN₂⁺

methyl azide, protonated

ch3nhn2+

783

CH₅N₃

Guanidine

guanidine

784

C₄H₆

Bicyclo[1.1.0]butane

c157335

785

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

786

CH₆N₃⁺

guanidinium

ch6n3+

787

C₃H₇N

Cyclopropylamine

cpram

788

CH₇N₃

triaminomethane

tam

789

C₃H₇N

Azetidine

azet

790

C₄H₈

cyclobutane

cbutane

791

C₂H₈N₂

Ethylenediamine

ethdiam

792

CH₃NHNHCH₃

dimethyl hydrazine

dmh

793

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

794

N(CH₃)₃

Trimethylamine

trimeam

795

NH₂CH₂CH₂CH₃

1-Propanamine

pram1

796

P(CH₃)₃

trimethylphosphine

tmp

797

As(CH₃)₃

trimethyl arsine

tmas

798

(CH₃)₃NH⁺

protonated trimethyl amine

ptma

799

C₃H₇NH₃⁺

n-propylamine, protonated

c3h7nh2

800

Li₂O₂

dilithium dioxide

li2o2

801

K₂O₂

dipotassium dioxide

k2o2

802

C₃O

Tricarbon monoxide

c3o

803

B₂O₂

Diboron dioxide

b2o2

804

S₂N₂

Disulfur dinitride

s2n2

805

CO₃

Carbon trioxide

co3

806

CO₃^--

carbonate

co3--

807

NO₃

Nitrogen trioxide

no3

808

NO₃^-

nitrate anion

no3-

809

NO₃⁺

nitrogen trioxide cation

no3+

810

SO₃^-

Sulfur trioxide anion

so3-

811

SO₃⁺

Sulfur trioxide cation

so3+

812

SeO₃

selenium trioxide

seo3

813

TeO₃

Tellurium trioxide

teo3

814

HCO₃^-

bicarbonate anion

hco3-

815

HSO₃

Hydroxysulfonyl radical

hso3

816

NH₂NO₂

nitramide

nh2no2

817

C₂H₂CO

cyclopropenone

c2h2co

818

HCCCHO

2-propynal

hcccho

819

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

820

H₂CO₃

Carbonic acid

h2co3

821

H₂CS₃

thiocarbonic acid

h2cs3

822

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

823

H₂SO₃

Sulfurous acid

h2so3

824

C₂H₃NO

Nitrosoethylene

c2h3no

825

CH₃COO^-

acetate anion

ch3coo-

826

CH₃ONO

Methyl nitrite

ch3ono

827

NH₂COOH

Carbamic acid

nh2cooh

828

H₃BO₃

Boric acid

h3bo3

829

H₃CO₃⁺

carbonic acid, protonated

h3co3+

830

C₃H₄O

2-Propyn-1-ol

c107197

831

C₃H₄O

allenol

c9000071

832

C₃H₄O

Cyclopropanone

cpone

833

C₃H₄O

Methylketene

c6004440

834

NH₂CONH₂

Urea

urea

835

NH₂CONH₂⁺

Urea cation

urea+

836

NH₂CSNH₂

Thiourea

thiourea

837

C₂H₄O₂

1,3-dioxetane

c2h4o2

838

CH₃COOH

Acetic acid

ch3cooh

839

CH₃OCHO

methyl formate

ch3ocho

840

CHOCH₂OH

hydroxy acetaldehyde

haa

841

NH₂COOH₂⁺

Carbamic acid, O-protonated

nh2cooh2+

842

NH₃COOH⁺

protonated Carbamic acid

nh3cooh+

843

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

844

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

845

HCOOHH₂O

Formic acid water dimer

hcoohh2o

846

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

847

CH₃COCH₂

Acetonyl radical

ch3coch2

848

CH₃CHNOH

Acetaldoxime

acetaldoxime

849

CH₃CONH₂

Acetamide

acetamide

850

HCONHCH₃

N-methylformamide

nmfa

851

CH₅N₂O⁺

urea, N-protonated

ch4n2o+

852

H₂NCOHNH₂⁺

urea, protonated

ureah+

853

C₂H₅OO

ethylperoxy radical

c2h5oo

854

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

855

C₃H₅OH

Cyclopropanol

cproh

856

C₃H₆O

2-Propen-1-ol

c107186

857

C₃H₆O

Acetone enol

enol

858

C₃H₆O

Oxetane

oxetane

859

C₃H₆O

Propylene oxide

prox

860

CH₃COCH₃

Acetone

acetone

861

CH₃COCH₃^-

acetone anion

ch3coch3-

862

C₃H₆S

Thietane

thietane

863

C₃H₆S

Thiirane, methyl-

methiirane

864

CH₃CSCH₃

Thioacetone

ch3csch3

865

C₂H₆O₂

1,2-Ethanediol

ethdiol

866

CH₃OOCH₃

dimethylperoxide

dmp

867

CH₃SOCH₃

Dimethyl sulfoxide

dmso

868

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

869

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

870

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

871

HOCH₂CH₂NH₂

monoethanolamine

mea

872

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

873

CH₃OC₂H₅

Ethane, methoxy-

etome

874

C₃H₇SH

1-Propanethiol

prsh

875

CH₃CHSHCH₃

2-Propanethiol

isoprsh

876

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

877

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

878

Na₂F₂

Sodium Fluoride Dimer

na2f2

879

Na₂Cl₂

Disodium dichloride

na2cl2

880

C₂F₂

difluoroacetylene

c2f2

881

C₂Cl₂

dichloroacetylene

c2cl2

882

C₂Cl₂⁺

dichloroacetylene cation

c2cl2+

883

FNO₂

Nitryl fluoride

fno2

884

FONO

Nitrosyl hypofluorite

fono

885

ClNO₂

Nitryl chloride

clno2

886

ClONO

chlorine nitrite

clono

887

BrONO

Bromine nitrite

brono

888

N₂F₂

(Z)-Difluorodiazene

n2f2_z

889

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

890

COFCl

Carbonic chloride fluoride

cofcl

891

CCl₂O

Phosgene

cl2co

892

Cl₂CS

Thiophosgene

cl2cs

893

COBr₂

Carbonic dibromide

cobr2

894

BF₃^-

Borane, trifluoro- anion

bf3-

895

AlF₂Cl

Aluminum chloride difluoride

alclf2

896

ScF₃

Scandium trifluoride

ScF3

897

AlFCl₂

Aluminum dichloride fluoride

alcl2f

898

AlCl₃

Aluminum trichloride

alcl3

899

BBr₃

Boron tribromide

bbr3

900

AlBr₃

Aluminum Bromide

albr3

901

ClO₃

Chlorine trioxide

clo3

902

ClO₃^-

chlorate anion

clo3-

903

BrO₃^-

Bromate anion

bro3-

904

CF₃

Trifluoromethyl radical

cf3

905

CF₃^-

Trifluoromethyl anion

cf3-

906

CF₃⁺

Trifluoromethyl cation

cf3+

907

SiF₃

Silicon trifluoride radical

sif3

908

SiF₃⁺

Silicon trifluoride cation

sif3+

909

CCl₃

Trichloromethyl radical

ccl3

910

CCl₃^-

Trichloromethyl anion

ccl3-

911

CCl₃⁺

Trichloromethyl cation

ccl3+

912

SiCl₃

trichlorosilyl radical

sicl3

913

SiCl₃⁺

trichlorosilyl cation

sicl3+

914

FOOF

Perfluoroperoxide

foof

915

ClO₂F

Chloryl fluoride

clo2f

916

F₂SO

Thionyl Fluoride

f2so

917

ClOOCl

Dichlorine dioxide

cloocl

918

FSSF

Difluorodisulfane

fssf

919

S₂F₂

Thio-thionyl fluoride

s2f2

920

SOCl₂

thionyl chloride

socl2

921

SeOCl₂

selenium oxychloride

seocl2

922

NF₃^-

Nitrogen trifluoride anion

nf3-

923

NF₃⁺

Nitrogen trifluoride cation

nf3+

924

PF₃

Phosphorus trifluoride

pf3

925

AsF₃

Arsenic trifluoride

asf3

926

PCl₃

Phosphorus trichloride

pcl3

927

SbF₃

Antimony Trifluoride

sbf3

928

AsCl₃

Arsenous trichloride

ascl3

929

SbCl₃

Antimony Trichloride

sbcl3

930

PBr₃

Phosphorus tribromide

pbr3

931

AsBr₃

Arsenic tribromide

asbr3

932

NI₃

Nitrogen triiodide

ni3

933

PI₃

Phosphorus triiodide

pi3

934

ClSSCl

Disulfur dichloride

s2cl2

935

SF₃

Sulfur trifluoride

sf3

936

ClF₃

Chlorine trifluoride

clf3

937

BrF₃

Bromine trifluoride

brf3

938

IF₃

iodone trifluoride

if3

939

CHF₂Cl

difluorochloromethane

chf2cl

940

CHFCl₂

fluorodichloromethane

chfcl2

941

CDCl₃

trichloromethane-d

cdcl3

942

CHCl₃

Chloroform

chcl3

943

SiHCl₃

Trichlorosilane

sihcl3

944

CHFClBr

fluorochlorobromomethane

chfclbr

945

CHF₂I

difluoroiodomethane

chf2i

946

CHFClI

fluorochloroiodomethane

chfcli

947

CHCl₂I

dichloroiodomethane

chcl2i

948

CHClBr₂

Methane, dibromochloro-

chclbr2

949

CHBr₃

bromoform

chbr3

950

CHI₃

Iodoform

chi3

951

NF₃H⁺

protonated nitrogen trifluoride

nf3h+

952

C₂H₂F₂

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

c2h2f2e

953

C₂H₂F₂

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

c2h2f2z

954

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

955

C₂H₂ClF

1-chloro-1-fluoroethylene

c2h2clf

956

CHFCHCl

(E)-1-chloro-2-fluoroethene

chfchcle

957

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

chfchclz

958

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

959

CHClCHCl

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

chclchcle

960

CHClCHCl

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

chclchclz

961

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

962

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

963

CH₃COF

Acetyl fluoride

ch3cof

964

CH₂ClCHO

chloroacetaldehyde

ch2clcho

965

CH₃COCl

Acetyl Chloride

ch3cocl

966

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

ch2fch2cl

967

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

968

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

969

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

970

CH₂CFCH₃

2-fluoropropene

2fpro

971

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

972

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

973

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

974

CH₂ClCH₂OH

2-Chloroethanol

ch2clch2oh

975

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

ch2clch2oh2+

976

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

977

CH₃CHClCH₃

Propane, 2-chloro-

prcl2

978

CH₃CH₂CH₂Br

n-propyl bromide

prbr

979

CH₃CHBrCH₃

i-propyl bromide

iprbr

980

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

981

C₅H₅

cyclopentadienyl radical

c5h5

982

C₅H₅^-

cylopentadienyl anion

c5h5-

983

C₅H₆

1,3-Cyclopentadiene

c542927

984

C₅H₆

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

c78808

985

C₅H₆

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

c2004695

986

C₅H₆

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

c1574409

987

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

988

C₅H₆

Cyclopropylacetylene

c6746947

989

C₅H₆

Propellane

propellane

990

C₅H₇

1,3-pentadienyl radical

pdyl

991

C₅H₇

cyclopentenyl radical

cpyl

992

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

993

C₅H₈

1,2-Pentadiene

c591957

994

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

995

C₅H₈

1,3-Pentadiene, (E)-

c2004708

996

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

997

C₅H₈

1,4-Pentadiene

c591935

998

C₅H₈

1-pentyne

a1pentyne

999

C₅H₈

2,3-Pentadiene

c591968

1000

C₅H₈

Cyclobutane, methylene-

c1120565

1001

C₅H₈

Cyclopentene

c142290

1002

C₅H₈

Ethenylcyclopropane

c693867

1003

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

1004

C₅H₁₀

1-Butene, 2-methyl-

c563462

1005

C₅H₁₀

2-Butene, 2-methyl-

c513359

1006

C₅H₁₀

2-Pentene, (E)-

c646048

1007

C₅H₁₀

2-Pentene, (Z)-

c627203

1008

C₅H₁₀

Cyclopentane

c287923

1009

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

1010

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

1011

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

1012

C₅H₁₂

Butane, 2-methyl-

buta2

1013

C₅H₁₂

Pentane

pentane

1014

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

1015

Si(CH₃)₄

tetramethylsilane

tms

1016

N₂O₃

Dinitrogen trioxide

n2o3

1017

C₃H₂N₂

Malononitrile

c3h2n2

1018

CH₂N₄

1H-Tetrazole

1htz

1019

C₃H₃N₂

imidazolyl radical

1020

C₃H₃N₂^-

imidizolyl anion

im-

1021

C₂H₃N₃

1H-1,2,4-Triazole

c288880

1022

C₄H₄N

pyrrolide radical

c4h4n

1023

C₄H₄N^-

pyrrolide anion

c4h4n-

1024

C₃H₄N₂

1H-Imidazole

1himidaz

1025

C₃H₄N₂

1H-Pyrazole

1hpyraz

1026

C₃H₄N₂

2H-Imidazole

imid2h

1027

C₃H₄N₂

4H-Imidazole

imid4h

1028

C₄H₅N

(E)-2-Butenenitrile

c627269

1029

C₄H₅N

(Z)-2-Butenenitrile

c1190767

1030

C₄H₅N

2H-pyrrole

pyrrole2

1031

C₄H₅N

3H-pyrrole

pyrrole3

1032

C₄H₅N

Cyclopropanecarbonitrile

c5500210

1033

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

1034

C₄H₆N⁺

pyrrole, alpha-protonated

appyr

1035

C₄H₆N⁺

pyrrole, beta-protonated

bppyr

1036

C₄H₆N⁺

pyrrole, protonated

ppyr

1037

C₃H₆N₂

3-Aminopropionitrile

c151188

1038

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

1039

CH₃CH₂CH₂CN

Butanenitrile

c109740

1040

C₅H₈

Bicyclo[2.1.0]pentane

c185944

1041

C₅H₈

Spiropentane

c157404

1042

C₄H₉N

Cyclobutylamine

cbam

1043

C₄H₉N

Pyrrolidine

pyrrolidine

1044

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

1045

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

1046

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1047

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1048

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1049

NH(C₂H₅)₂

diethylamine

dea

1050

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1051

C₃O₂⁺

Carbon suboxide cation

c3o2+

1052

MgCO₃

Magnesium Carbonate

mgco3

1053

BeCO₃

Beryllium Carbonate

beco3

1054

CaCO₃

Calcium Carbonate

caco3

1055

ONONO

Nitrosyl nitrite

onono

1056

PO₄^---

phosphate

po4---

1057

SO₄^--

sulfate

so4--

1058

HOONO₂

peroxy nitric acid

hoono2

1059

HSO₄^-

bisulfate anion

hso4-

1060

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1061

C₃H₂O₂

Propiolic acid

c3h2o2

1062

CHOCOOH

oxo acetic acid

oaa

1063

H₂SO₄

Sulfuric acid

h2so4

1064

H₂SeO₄

Selenic acid

h2seo4

1065

C₃H₃NO

Oxazole

oxazole

1066

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1067

CH₃NO₃

Methyl nitrate

ch3no3

1068

H₃PO₄

Phosphoric Acid

h3po4

1069

C₄H₄O

Furan

furan

1070

C₄H₄O⁺

Furan cation

furan+

1071

CH₃COCCH

3-butyn-2-one

c1423605

1072

C₄H₄S

Thiophene

furans

1073

C₃H₄O₂

β–Propiolactone

beta

1074

C₃H₄O₂

2-Propenoic acid

propenoic2

1075

C₃H₄O₂

Methyl glyoxal

megly

1076

C₃H₄O₂

propanedial

1077

C₃H₄O₂

propenalol

1078

HOCHCCHOH

allenediol

aldiol

1079

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1080

C₂H₄O₃

trioxolane124

triox

1081

HOCH₂COOH

Hydroxyacetic acid

hac

1082

CH₂CHCONH₂

Acrylamide

c79061

1083

CH₃OCH₂CN

Methoxyacetonitrile

c1738369

1084

CH₅N₃S

Hydrazinecarbothioamide

c79196

1085

H₂NCH₂COOH

Glycine

glycine

1086

CH₃SO₂NH₂

methanesulfonamide

ch3so2nh2

1087

C₄H₆O

cis-2-butenal

butenal2c

1088

C₄H₆O

Cyclobutanone

cbutone

1089

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1090

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1091

CH₂CHOCHCH₂

Vinyl ether

vinylether

1092

CHOCHCHCH₃

2-Butenal

butenal2

1093

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1094

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1095

CH₂CHSCHCH₂

Divinyl sulfide

divis

1096

C₂H₆N₂O

Urea, methyl-

c598505

1097

C₃H₆O₂

1,3-Dioxolane

dioxolane

1098

CH₃CH₂COOH

Propanoic Acid

propanoic

1099

CH₃COOCH₃

methyl acetate

aame

1100

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1101

C₃H₇NO

dimethylformamide

dmf

1102

C₃H₇NO

Propanamide

propanam

1103

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1104

C₄H₈O

Cyclobutanol

c2919235

1105

C₄H₈O

Furan, tetrahydro-

thf

1106

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1107

CH₃COCH₂CH₃

2-Butanone

buta2one

1108

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1109

CHOCH₂CH₂CH₃

Butanal

butanal

1110

C₃H₈O₂

1,3-Propanediol

c504632

1111

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1112

C₃H₈O₂

Methane, dimethoxy-

c109875

1113

C₃H₈O₂

Propylene glycol

c57556

1114

C₃H₈S₂

1,3-Propanedithiol

c109808

1115

C₄H₁₀O

1-Butanol

butanol1

1116

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1117

C₄H₁₀O

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

butanol2

1118

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1119

C₄H₁₀O

Ethoxy ethane

etoet

1120

C₄H₁₀O

Propane, 2-methoxy-

c598538

1121

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1122

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

tbush

1123

C₂H₅SC₂H₅

Diethyl sulfide

etset

1124

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1125

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1126

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1127

FNO₃

Fluorine nitrate

fno3

1128

ClONO₂

Chlorine nitrate

clono2

1129

BrONO₂

Bromine nitrate

brono2

1130

TiCl₄

Titanium tetrachloride

ticl4

1131

ClO₄^-

perchlorate anion

clo4-

1132

BF₄^-

tetrafluoroboron anion

bf4-

1133

ClFO₃

Perchloryl fluoride

clfo3

1134

SO₂F₂

Sulfuryl fluoride

so2f2

1135

SO₂Cl₂

Sulfuryl chloride

so2cl2

1136

F₃NO

Nitrogen trifluoride oxide

f3no

1137

F₃PO

Phosphoryl fluoride

pf3o

1138

Cl₃PO

Phosphoryl chloride

pcl3o

1139

CF₄

Carbon tetrafluoride

cf4

1140

SiF₄

Silicon tetrafluoride

sif4

1141

TiF₄

Titanium tetrafluoride

tif4

1142

CFCl₃

Trichloromonofluoromethane

cfcl3

1143

CCl₄

Carbon tetrachloride

ccl4

1144

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1145

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

1146

SiCl₄

Silane, tetrachloro-

sicl4

1147

CF₃I

trifluoroiodomethane

cf3i

1148

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1149

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1150

GeCl₄

Germanium Tetrachloride

gecl4

1151

CCl₃I

trichloroiodomethane

ccl3i

1152

CFBr₃

fluorotribromomethane

cfbr3

1153

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1154

CF₂I₂

difluorodiiodomethane

cf2i2

1155

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1156

SiBr₄

Silicon tetrabromide

sibr4

1157

CBr₃I

tribromoiododmethane

cbr3i

1158

CI₄

tetraiodomethane

ci4

1159

SiI₄

silicon tetraiodide

sii4

1160

ClOF₃

Chlorine trifluoride oxide

clof3

1161

C₂HF₃

Trifluoroethylene

c2hf3

1162

C₂HF₃⁺

Trifluoroethylene cation

c2hf3+

1163

CHClCCl₂

Trichloroethylene

chclccl2

1164

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1165

HClO₄

perchloric acid

hclo4

1166

HSO₃F

Fluorosulfonic acid

hso3f

1167

CF₃OH

trifluoromethanol

cf3oh

1168

CHClCCHCl

1,3-dichloroallene

chclcchcl

1169

PF₃CH₂

phosphorane, trifluoromethylene-

pf3ch2

1170

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1171

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

1172

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1173

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1174

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1175

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1176

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1177

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1178

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1179

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1180

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1181

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1182

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1183

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1184

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1185

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1186

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1187

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1188

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

bute2cl1

1189

CH₃CClCHCH₃

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

bute2cl2e

1190

CH₃CClCHCH₃

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

bute2cl2z

1191

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1192

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1193

C₄H₉F

1-fluorobutane

butaf1

1194

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1195

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1196

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1197

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1198

XeF₄

Xenon tetrafluoride

xef4

1199

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1200

NH₃BF₃

Amminetrifluoroboron

nh3bf3

1201

C₆H₂

hexatriyne

c6h2

1202

C₆H₄

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

c6h4e

1203

C₆H₄

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

c6h4z

1204

C₆H₄

Benzyne

benzyne

1205

C₆H₅

phenyl

1206

C₆H₅^-

phenyl anion

phenyl-

1207

C₆H₆

2,4-Hexadiyne

hexadiyne

1208

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1209

C₆H₆

Benzene

benzene

1210

C₆H₆

Benzvalene

1211

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

1212

C₆H₆

Trimethylenecycopropane

tmcp

1213

C₆H₆⁺

Benzene cation

c6h6+

1214

C₆H₈

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

c821078

1215

C₆H₈

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

c59660650

1216

C₆H₈

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

hexatri135

1217

C₆H₈

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

hetr234c

1218

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1219

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1220

C₆H₈

3-Methylenecyclopentene

c930267

1221

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1222

C₆H₈

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

c30830207

1223

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1224

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1225

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1226

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1227

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1228

C₆H₁₀

1,5-Hexadiene

c592427

1229

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1230

C₆H₁₀

1-Hexyne

hexyne1

1231

C₆H₁₀

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

hexdi24ee

1232

C₆H₁₀

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

hexdi24ez

1233

C₆H₁₀

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

hexdi24zz

1234

C₆H₁₀

2-Hexyne

c764352

1235

C₆H₁₀

3-Hexyne

hexyne3

1236

C₆H₁₀

cyclohexene

1237

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1238

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1239

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1240

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1241

C₆H₁₂

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

dmcb12t

1242

C₆H₁₂

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

dmcb13t

1243

C₆H₁₂

(E)-2-Hexene

e2hexene

1244

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1245

C₆H₁₂

(E)-hex-3-ene

e3hexene

1246

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1247

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1248

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1249

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1250

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1251

C₆H₁₂

3-methylenepentane

c760214

1252

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1253

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1254

C₆H₁₂

Cyclohexane

cyclohexane

1255

C₆H₁₂

Cyclopentane, methyl-

c96377

1256

C₆H₁₂

Ethylcyclobutane

c4806615

1257

C₆H₁₂

hex-1-ene

hexene1

1258

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1259

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1260

C₆H₁₄

Hexane

hexane

1261

C₆H₁₄

Pentane, 2-methyl-

penta2

1262

C₆H₁₄

Pentane, 3-methyl-

penta3

1263

C₄N₂

2-Butynedinitrile

c4n2

1264

C₄H₂N₂

Fumaronitrile

c4h2n2

1265

C₂H₂N₄

sym-tetrazine

ttz

1266

C₃H₃N₃

1,3,5-Triazine

triazine135

1267

CH₃N₅

5-Aminotetrazole

c4418615

1268

C₄H₄N₂

1,3-Diazine

diazine13

1269

C₄H₄N₂

Pyrazine

pyrazine

1270

C₄H₄N₂

Pyridazine

pyridazine

1271

C₄H₄N₂

Succinonitrile

c110612

1272

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1273

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1274

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1275

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1276

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1277

C₅H₅N

Pyridine

pyridine

1278

B₃N₃H₆

borazine

1279

C₆H₆

Fulvene

fulvene

1280

C₅H₆N⁺

Pyridinium

c5h6n

1281

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1282

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1283

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1284

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1285

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1286

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1287

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1288

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1289

C₅H₉N

Pentanenitrile

c110598

1290

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1291

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1292

C₅H₁₁N

Cyclopentanamine

cypentam

1293

C₅H₁₁N

Piperidine

piper

1294

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1295

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1296

Li₂CO₃

Lithium Carbonate

li2co3

1297

Na₂CO₃

Sodium Carbonate

na2co3

1298

C₂O₄^--

oxalate anion

c2o4

1299

MgSO₄

Magnesium Sulfate

mgso4

1300

N₂O₄

Dinitrogen tetroxide

n2o4

1301

C₂H₂O₄

Oxalic Acid

oxalic

1302

C₂H₃NO₃

Oxamic acid

oxamic

1303

C₄H₄O₂

2(5H)-Furanone

furanone

1304

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1305

C₂H₄N₂O₂

Oxalamide

oxalamide

1306

C₂H₄N₂S₂

Ethanedithioamide

c79403

1307

C₂H₄CO₃

Ethylene carbonate

etco3

1308

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1309

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1310

C₂H₄O₄

Formic acid dimer

fadimer

1311

C₄H₅NO

3-Methylisoxazole

isox3m

1312

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1313

C₄H₅NS

4-Methylthiazole

c693958

1314

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1315

C₅H₆O

2-methylfuran

furan2m

1316

C₅H₆O

3-Methylfuran

furan3m

1317

C₅H₆S

Thiophene, 2-methyl-

c554143

1318

C₅H₆S

Thiophene, 3-methyl-

c616444

1319

C₄H₆O₂

2,3-Butanedione

c431038

1320

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1321

C₄H₆O₂

Crotonic Acid

crot

1322

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1323

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1324

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1325

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1326

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1327

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1328

C₄H₆OS

Vinyl sulfoxide

c1115157

1329

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1330

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1331

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1332

C₃H₆S₃

1,3,5-Trithiane

c3h6s3

1333

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1334

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1335

C₄H₇NO

2-Pyrrolidinone

c616455

1336

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1337

C₄H₇NO

Methacrylamide

c79390

1338

C₄H₇NO

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

c1120645

1339

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1340

C₃H₇ONO

Propyl nitrite

prono

1341

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1342

CH₃CH(NH₂)COOH

Alanine

alanine

1343

CH₃NHCH₂COOH

Sarcosine

sarcosine

1344

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1345

NH₂COOC₂H₅

Urethane

urethane

1346

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1347

C₅H₈O

Cyclopentanone

c120923

1348

C₅H₈O

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

c1487156

1349

C₅H₈O

Methyl cyclopropyl ketone

c765435

1350

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1351

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

1352

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1353

C₄H₈O₂

1,3-Dioxane

dioxan13

1354

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1355

C₄H₈O₂

1,4-Dioxane

dioxan14

1356

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1357

C₄H₈O₂

Ethyl acetate

c141786

1358

C₄H₈OS

s-Ethyl thioacetate

c625605

1359

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1360

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1361

C₄H₉NO

Butanamide

c541355

1362

C₄H₉NO

Propanamide, 2-methyl-

c563837

1363

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1364

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1365

C₅H₁₀O

2-methylbutyraldehyde

2meba

1366

C₅H₁₀O

2-Pentanone

mpk

1367

C₅H₁₀O

Cyclopentanol

c96413

1368

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1369

C₅H₁₀O

Pentanal

pal

1370

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1371

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1372

C₅H₁₀S

Cyclopentanethiol

c1679078

1373

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1374

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1375

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1376

C₄H₁₀O₂

1,3-Butanediol

budiol13

1377

C₄H₁₀O₂

1,4-Butanediol

budiol14

1378

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1379

C₄H₁₀OS

Diethyl sulfoxide

c70291

1380

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1381

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1382

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1383

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1384

C₅H₁₂O

1-Pentanol

pentanol1

1385

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1386

C₅H₁₂O

2-Pentanol

peol2

1387

C₅H₁₂O

3-Pentanol

pentan3ol

1388

C₅H₁₂O

Butane, 1-methoxy-

meobu

1389

C₅H₁₂O

Propane, 1-ethoxy-

proet

1390

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1391

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1392

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1393

C₅H₁₂S

1-Pentanethiol

c110667

1394

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1395

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1396

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1397

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1398

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1399

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1400

C₅H₁₂S

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

c6163640

1401

ClCOClCO

Oxalyl chloride

oxcl

1402

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1403

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1404

B₂F₄

Diboron tetrafluoride

b2f4

1405

B₂Cl₄

Diboron tetrachloride

b2cl4

1406

C₂F₄

Tetrafluoroethylene

c2f4

1407

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1408

CF₂CCl₂

difluorodichloroethylene

cf2ccl2

1409

CFClCClF

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

cfclcclf

1410

CFClCFCl

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

cfclcfcl

1411

C₂FCl₃

fluorotrichloroethene

c2fcl3

1412

C₂Cl₄

Tetrachloroethylene

c2cl4

1413

CF₃OF

Trifluoromethylhypofluorite

cf3of

1414

SOF₄

Sulfur tetrafluoride oxide

sof4

1415

PF₅

Phosphorus pentafluoride

pf5

1416

AsF₅

Arsenic pentafluoride

asf5

1417

PCl₅

Phosphorus pentachloride

pcl5

1418

SF₅

Sulfur pentafluoride

sf5

1419

SF₅⁺

pentafluoro sulfur cation

sf5+

1420

SbCl₅

Antimony pentachloride

sbcl5

1421

BrF₅

bromine pentafluoride

brf5

1422

ClF₅

chlorinepentafluoride

clf5

1423

IF₅

pentafluoroiodine

if5

1424

CF₃CHO

trifluoroacetaldehyde

cf3cho

1425

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1426

CHFClCHClF

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

chfclchclf

1427

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1428

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1429

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1430

CHFClCHFCl

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

chfclchfcl

1431

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

1432

CF₃COOH

trifluoroacetic acid

cf3cooh

1433

C₄H₃ClO

Furan, 2-chloro

fur2cl

1434

C₄H₃ClO

Furan,3-chloro

fur3cl

1435

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1436

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1437

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1438

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1439

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1440

C₄H₈Cl₂

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

c2211678

1441

C₄H₈Cl₂

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

c4028562

1442

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1443

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1444

C₄H₈O₂

Butanoic acid

bua

1445

C₆H₅CH₂

benzyl radical

benzyl

1446

C₇H₇

cycloheptatrienyl radical

c7h7

1447

C₇H₇⁺

cycloheptatrienyl cation

c7h7+

1448

C₆H₅CH₃

toluene

1449

C₇H₈

cycloheptatriene

cht

1450

C₇H₈

Norbornadiene

norbor

1451

C₇H₈

Quadricyclane

qucy

1452

C₇H₁₂

Norbornane

nor

1453

C₇H₁₄

cycloheptane

c7h14

1454

C₇H₁₆

2-methylhexane

2mhex

1455

C₇H₁₆

3-methylhexane

hex3m

1456

C₇H₁₆

heptane

1457

C₆H₇N

2-Methylpyridine

1458

C₆H₅NH₂

aniline

1459

C₆H₁₃N

2-Methylpiperidine

pip2m

1460

C₆H₁₃N

cyclohexanamine

cham

1461

C₆H₁₅N

triethylamine

tea

1462

N₂O₅

Dinitrogen pentoxide

n2o5

1463

C₄H₂O₃

Maleic Anhydride

malan

1464

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1465

C₅H₄O₂

furfural

1466

C₆H₅O

phenoxy radical

phenoxy

1467

C₅H₅NO

2(1H)-Pyridinone

c72762006

1468

C₅H₅NO

2(3H)-Pyridinone

c9000048

1469

C₅H₅NO

2(5H)-Pyridinone

c9000037

1470

C₅H₅NO

2-Pyridinol

c109104

1471

C₅H₅NO

3(2H)-Pyridinone

c9000004

1472

C₅H₅NO

3(4H)-Pyridinone

c9000026

1473

C₅H₅NO

3(6H)-Pyridinone

c9000015

1474

C₅H₅NO

3-Pyridinol

c109002

1475

C₅H₅NO

4(1H)-Pryidinone

c9000060

1476

C₅H₅NO

4(3H)-Pryidinone

c9000059

1477

C₅H₅NO

4-Pyridinol

c626642

1478

C₆H₅OH

phenol

1479

C₆H₆O

2,4-Cyclohexadienone

c24599573

1480

C₆H₆O

2,5-Cyclohexadienone

c5664335

1481

C₆H₅SH

Benzenethiol

phsh

1482

HO₂CCHNH₂CH₂OH

Serine

serine

1483

C₅H₈O₂

Acetylacetone

acac

1484

C₄H₈O₂S

Sulfolane

sulfolane

1485

C₇H₁₀

Norbornene

norbornene

1486

CH(C₂H₃)₃

trivinyl methane

tvm

1487

C₆H₁₀O

cyclohexanone

chexo

1488

C₆H₁₂O

hexanal

c6h12o

1489

C₃H₇OC₃H₇

di-n-propyl ether

propr

1490

CF₃COO^-

trifluoro acetate anion

cf3coo-

1491

CF₃COF

trifluoroacetyl fluoride

cf3cof

1492

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1493

PF₆

Hexafluorophosphate neutral

pf6

1494

PF₆^-

Hexafluorophosphate ion

pf6-

1495

SeF₆

Selenium hexafluoride

sef6

1496

SF₅Cl

sulfur chloropentafluoride

sf5cl

1497

CF₃CHF₂

pentafluoroethane

cf3chf2

1498

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1499

CF₃CHCl₂

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

cf3chcl2

1500

CHCl₂CClF₂

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

chcl2cclf2

1501

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1502

C₆H₅F

Fluorobenzene

bzf

1503

C₆H₅Cl

chlorobenzene

bzcl

1504

C₆H₅Br

bromobenzene

bzbr

1505

C₈H₆

Calicene

calicene

1506

C₆H₅CCH

phenylacetylene

phac

1507

C₈H₆

benzocyclobutadiene

bcbd

1508

C₈H₆

Pentalene

pentalene

1509

C₆H₅CHCH₂

Styrene

styrene

1510

C₈H₈

cubane

1511

C₈H₈

cyclooctatetraene

cot

1512

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1513

CH₃C₆H₄CH₃

meta-xylene

mxylene

1514

CH₃C₆H₄CH₃

paraxylene

pxylene

1515

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1516

C₈H₁₆

cyclooctane

cyclooct

1517

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1518

C₈H₁₈

Octane

c8h18

1519

C₆H₅CN

phenyl cyanide

phcn

1520

C₆H₁₂N₂

Triethylenediamine

ted

1521

C₄O₄^--

squarate dianion

c4o4--

1522

S₄N₄

Tetrasulfur tetranitride

s4n4

1523

S₈

Octasulfur

1524

C₆H₄O₂

parabenzoquinone

pbq

1525

C₄H₄N₂O₂

Uracil

uracil

1526

C₆H₅OCH₃

Anisole

anisole

1527

C₅H₉NO₂

Proline

proline

1528

C₆H₁₂O₂

Methyl pivalate

c598981

1529

C₆H₁₂O₂

Hexanoic acid

hexa

1530

C₄F₄

tetrafluorcyclobutadiene

c4f4

1531

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1532

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1533

CF₂ClCF₂Cl

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

cf2clcf2cl

1534

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1535

CF₂ClCFCl₂

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

cf2clcfcl2

1536

CF₃CCl₃

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

cf3ccl3

1537

C₂F₆

hexafluoroethane

c2f6

1538

IF₇

Iodine heptafluoride

if7

1539

C₆H₄F₂

metadifluorobenzene

mdfb

1540

C₆H₄F₂

orthodifluorobenzene

odfb

1541

C₆H₄F₂

1,4-difluorobenzene

pdfb

1542

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1543

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1544

C₆H₄Cl₂

1,4-dichlorobenzene

dcb14

1545

C₉H₈

Indene

indene

1546

C₉H₈

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

snt

1547

C₉H₁₂

n-propyl benzene

prbz

1548

C₉H₂₀

Nonane

nonane

1549

C(CN)₄

tetracyanomethane

c5n4

1550

C₅H₄N₄

purine

1551

C₈H₇N

Indole

indole

1552

C₃H₃N₃O₃

cyanuric acid

cyanuric

1553

C₆H₅NO₂

Nitrobenzene

c6h5no2

1554

C₆H₅COOH

benzoic acid

benzo

1555

CH₃COC₆H₅

acetophenone

acph

1556

C₃Cl₃N₃

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

c3cl3n3

1557

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1558

C₁₀H₈

Azulene

azu

1559

C₁₀H₈

naphthalene

naph

1560

C₁₀H₁₆

adamantane

1561

C₆N₄

Tetracyanoethylene

tcne

1562

C₆N₄^-

tetracyanoethylene anion

tcne-

1563

C₁₀H₂₂

Decane

decane

1564

C₄F₆

perfluorobutadiene

c4f6

1565

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1566

C₃F₈

perfluoropropane

c3f8

1567

Fe(CO)₅

Iron pentacarbonyl

ipc

1568

Fe(C₅H₅)₂

ferrocene

fecp2

1569

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1570

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1571

C₁₂H₈

Acenaphthylene

acenaph

1572

C₁₂H₈

biphenylene

biph

1573

C₁₂H₁₀

biphenyl

1574

C₁₂H₁₀

Heptalene

heptalene

1575

C₆H₁₂O₆

Inositol

inositol

1576

C₆F₆

hexafluorobenzene

c6f6

1577

S₂F₁₀

disulphur decafluoride

s2f10

1578

C₁₃H₁₀

Fluorene

fluorene

1579

C₁₄H₁₀

Anthracene

anth

1580

C₁₄H₁₀

Phenanthrene

phenanthrene

1581

C₁₄H₁₄

Bibenzyl

bibenzyl

1582

C₁₂H₁₀N₂

azobenzene

1583

C₆H₅COC₆H₅

benzophenone

1584

C₁₆H₁₀

Pyrene

pyrene

1585

C₁₈H₁₂

Tetracene

tetracene

1586

C₁₉H₁₆

Triphenylmethane

tpm

1587

C₂₄H₁₂

Coronene

coronene

1588

C₆₀

Buckminsterfullerene

c60

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