CCCBDB List of Species with completed calculations

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

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count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
3	He	Helium atom	¹S	K_h
4	He	Helium atom
5	He⁺	Helium atom cation	²S	K_h
6	HeH⁺	Helium hydride cation	¹Σ	C_∞v
7	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
8	Li	Lithium atom	²S	K_h
9	Na	Sodium atom	²S	K_h
10	LiH	Lithium Hydride	¹Σ	C_∞v
11	Be	Beryllium atom	¹S	K_h
12	Be⁺	Beryllium atom cation	²S	K_h
13	Mg	Magnesium atom	¹S	K_h
14	Mg⁺	Magnesium atom cation	²S	K_h
15	Ca	Calcium atom	¹S	K_h
16	MgH	magnesium monohydride	²Σ	C_∞v
17	ZnH⁺	Zinc, protonated
18	BeH₂⁺	Beryllium dihydride cation
19	B	Boron atom	²P	K_h
20	B	Boron atom	⁴P	K_h
21	B⁺	Boron atom cation	¹S	K_h
22	Al	Aluminum atom	²P	K_h
23	Al^-	Aluminum atom anion	³P	K_h
24	Al⁺	Aluminum atom cation	¹S	K_h
25	Ga	Gallium atom	²P
26	Ga^-	Gallium atom anion	³P	O_h
27	Ga⁺	Gallium atom cation	¹S
28	GaH	Gallium monohydride	¹Σ	C_∞v
29	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
30	BH₃⁺	boron trihydride cation	²B₂	C_2v
31	BH₃⁺	boron trihydride cation		C_2v
32	AlH₃^-	aluminum trihydride anion		C_3v
33	BH₄^-	borohydride anion	¹A₁	T_d
34	C	Carbon atom	³P₀	K_h
35	C	Carbon atom	³P₁	K_h
36	C⁺	Carbon atom cation	²P	K_h
37	Si	Silicon atom	³P	K_h
38	Si	Silicon atom	¹S	K_h
39	Si^-	Silicon atom anion	⁴S	K_h
40	Si⁺	Silicon atom cation	²P	K_h
41	Ge	Germanium atom	³P	K_h
42	Ge^-	Germanium anion	⁴S	K_h
43	Ge⁺	Germanium cation	²P	K_h
44	CH	Methylidyne	²Π_1/2	C_∞v
45	SiH	Silylidyne	²Π	C_∞v
46	GeH	germylidene	²Π	C_∞v
47	CH₂^-	methylene anion	²B₁	C_2v
48	GeH₂	germylene	¹A₁	C_2v
49	CH₃⁺	methyl cation	¹A₁^'	D_3h
50	SiH₃	Silyl radical	²A₁	C_3v
51	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
52	GeH₃	Germyl radical	²A₁	C_3v
53	GeH₃⁺	germyl cation	¹A₁^'	D_3h
54	CH₄	Methane	¹A₁	T_d
55	SiH₂D₂	silane-d2
56	GeH₄	Germane	¹A₁	T_d
57	SiH₅⁺	Silane, protonated
58	N	Nitrogen atom	⁴S	K_h
59	N	Nitrogen atom	²D	K_h
60	N⁺	Nitrogen atom cation	³P	K_h
61	P	Phosphorus atom	⁴S	K_h
62	As	Arsenic atomic	⁴S	K_h
63	As^-	Arsenic anion	³P	K_h
64	As⁺	Arsenic cation	³P	K_h
65	PH	phosphorus monohydride	³Σ^-	C_∞v
66	AsH	Arsenic monohydride	³Σ	C_∞v
67	NH₂	Amino radical	²B₁	C_2v
68	NH₂⁺	Amino cation	³B₁	C_2v
69	NH₂⁺	Amino cation	¹A₁	C_2v
70	NH₃	Ammonia	¹A₁	C_3v
71	PH₃	Phosphine	¹A₁	C_3v
72	PH₃⁺	Phosphine cation	²A₁	C_3v
73	AsH₃	Arsine	¹A₁	C_3v
74	AsH₃⁺	Arsine cation	²A₁	C_3v
75	AsH₄⁺	Arsonium
76	NH₄	Ammonium radical
77	PH₄	Phosphoranyl radical
78	O	Oxygen atom	³S	K_h
79	O⁺	Oxygen atom cation	⁴S	K_h
80	S	Sulfur atom	³P	K_h
81	S	Sulfur atom
82	Se	Selenium atom	³P	K_h
83	Se^-	Selenium atom anion	²P	K_h
84	Se⁺	Selenium atom cation	⁴S	K_h
85	OH	Hydroxyl radical	²Π	C_∞v
86	OH⁺	hydoxyl cation	³Σ	C_∞v
87	HS^-	mercapto anion	¹Σ	C_∞v
88	HS⁺	sulfur monohydride cation	³Σ	C_∞v
89	CrH	Chromium hydride	⁶Σ	C_∞v
90	HSe	Selenium monohydride	²Π	C_∞v
91	HSe^-	selenium monohydride anion	¹Σ	C_∞v
92	HSe⁺	selenium monohydride cation	³Σ	C_∞v
93	H₂O	Water	¹A₁	C_2v
94	H₂O^-	water anion	²A₁	C_2v
95	H₂O^-	water anion	²A^'	C_s
96	H₂O⁺	water cation	²B₁	C_2v
97	HDO	Water-d1	¹A₁	C_2v
98	H₂Se	Hydrogen selenide	¹A₁	C_2v
99	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
100	H₃S⁺	Sulfonium cation	¹A₁	C_3v
101	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
102	F	Fluorine atom	²P	K_h
103	F⁺	Fluorine atom cation	³S	K_h
104	Cl	Chlorine atom	²P	K_h
105	Cl⁺	Chlorine atom cation	³P	K_h
106	Br	Bromine atom	²P	K_h
107	Br^-	Bromine atom anion	¹S	K_h
108	Br⁺	Bromine atom cation	³P	K_h
109	HF	Hydrogen fluoride	¹Σ	C_∞v
110	HF^-	hydrogen fluoride anion	²Σ	C_∞v
111	HF⁺	hydrogen fluoride cation	²Π	C_∞v
112	HCl	Hydrogen chloride	¹Σ	C_∞v
113	HCl^-	hydrogen chloride anion	²Σ	C_∞v
114	HCl⁺	hydrogen chloride cation	²Π	C_∞v
115	HBr	hydrogen bromide	¹Σ	C_∞v
116	HBr^-	hydrogen bromide anion	²Σ	C_∞v
117	HBr⁺	hydrogen bromide cation	²Π	C_∞v
118	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
119	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
120	Ne	Neon atom	¹S	K_h
121	Ne	Neon atom
122	Ne⁺	Neon atom cation	²P	K_h
123	Ar	Argon atom	¹S	K_h
124	Kr	Krypton atom	¹S	K_h
125	Kr⁺	Krypton cation	²P	K_h
126	HeLi⁺	Helium Lithium cation
127	ArH⁺	Argon hydride cation	¹Σ	C_∞v
128	KrH⁺	Protonated Krypton	¹Σ	C_∞v
129	NaLi	lithium sodium	¹Σ	C_∞v
130	Na₂	Sodium diatomic	¹Σ_g	D_∞h
131	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
132	LiAl	Lithium Aluminum
133	HBBH	Diborane(2)	³Σ_G	D_∞h
134	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
135	B₂H₆	Diborane	¹A_g	D_2h
136	B₂H₆⁺	Diborane cation
137	CaC	Calcium monocarbide
138	BSi	Boron silicide	⁴Σ	C_∞v
139	BSi	Boron silicide	²Σ	C_∞v
140	Si₂	Silicon diatomic	³Σ_g	D_∞h
141	GeC	Germanium monocarbide	¹Σ	C_∞v
142	SiGe	Silicon Germanium
143	C₂H^-	Ethynyl anion	¹Σ	C_∞v
144	C₂H₂	Acetylene	¹Σ_g	D_∞h
145	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
146	C₂H₂⁺	acetylene cation
147	H₂CC^-	vinylidene anion
148	HCCH^-	acetylene anion
149	HCCH^-	acetylene anion
150	Si₂H₂	disilyne
151	Si₂H₂	disilyne
152	Si₂H₂	disilyne
153	Si₂H₂	disilyne
154	CH₃Li	methyl lithium	¹A₁	C_3v
155	C₂H₃	vinyl	²A^'	C_s
156	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
157	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
158	C₂H₄	Ethylene	¹A_g	D_2h
159	Si₂H₄	Disilene
160	Si₂H₄	Disilene
161	Si₂H₄	Disilene
162	C₂H₅	Ethyl radical	²A^'	C_s
163	C₂H₆	Ethane	¹A_1g	D_3d
164	Si₂H₆	disilane	¹E_u	D_3d
165	LiN	Lithium Nitride	³Σ	C_∞v
166	LiP	Lithium monophosphide
167	LiP	Lithium monophosphide
168	MgN	Magnesium Nitride
169	MgN	Magnesium Nitride
170	GaAs	Gallium arsenide	³Π
171	GaAs	Gallium arsenide	¹Σ
172	BN	boron nitride	³Π	C_∞v
173	AlN	Aluminum nitride	³Π_i	C_∞v
174	CN	Cyano radical	²Σ	C_∞v
175	SiP	Silicon monophosphide	²Π	C_∞v
176	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
177	N₂	Nitrogen diatomic
178	PN	Phosphorus mononitride	¹Σ	C_∞v
179	HCN	Hydrogen cyanide	¹Σ	C_∞v
180	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
181	HNC⁺	hydrogen isocyanide cation
182	HCP⁺	Phosphaethyne cation
183	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
184	LiNH₂	lithium amide
185	HBNH	Boranimine	¹Σ	C_∞v
186	H₂NN	Isodiazene
187	CH₂NH	Methanimine	¹A^'	C_s
188	CH₂NH⁺	Methanimine cation
189	CHNH₂	aminomethylene
190	CHNH₂⁺	Aminocarbene cation
191	BH₂NH₂	Boranamine
192	CH₃NH₂	methyl amine	¹A^'	C_s
193	SiH₃NH₂	Silane, amino
194	BH₃PH₃	borane phosphine
195	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
196	N₂H₇⁺	ammonia ammonium dimer
197	LiSe	Lithium monoselenide
198	CaO	Calcium monoxide	¹Σ	C_∞v
199	CaS	Calcium sulfide	¹Σ	C_∞v
200	BO	boron monoxide	²Σ	C_∞v
201	BO^-	boron monoxide anion	¹Σ	C_∞v
202	GaO	Gallium monoxide	²Σ	C_∞v
203	GaS	Gallium monosulfide
204	CO	Carbon monoxide	¹Σ	C_∞v
205	CO⁺	carbon monoxide cation	²Σ	C_∞v
206	CS	carbon monosulfide	¹Σ	C_∞v
207	SiO	Silicon monoxide	¹Σ	C_∞v
208	SiS	silicon monosulfide	¹Σ	C_∞v
209	CSe	Carbon monoselenide	¹Σ	C_∞v
210	GeO	Germanium monoxide	¹Σ	C_∞v
211	SiSe	Silicon Monoselenide
212	SiSe⁺	Silicon Monoselenide cation
213	GeSe	Germanium monoselenide
214	NO	Nitric oxide	²Π	C_∞v
215	NO^-	nitric oxide anion	³Σ	C_∞v
216	NO⁺	nitric oxide cation	¹Σ	C_∞v
217	PS	phosphorus sulfide	²Σ	C_∞v
218	O₂	Oxygen diatomic	³Σ_g	D_∞h
219	O₂^--	dioxygen dianion
220	SO	Sulfur monoxide	³Σ	C_∞v
221	SO	Sulfur monoxide	¹Σ	C_∞v
222	SO⁺	sulfur monoxide cation	²Π	C_∞v
223	S₂	Sulfur diatomic	³Σ_g	D_∞h
224	SeO	Selenium monoxide	³Σ	C_∞v
225	Se₂	Selenium diatomic	³Σ_g	D_∞h
226	LiOH	lithium hydroxide	¹Σ	C_∞v
227	BeOH	beryllium monohydroxide	²A^'	C_s
228	HBO	Boron hydride oxide	¹Σ	C_∞v
229	HBS	hydrogen boron sulfide	¹Σ	C_∞v
230	COH	Hydroxymethylidyne
231	HCO	Formyl radical	²A^'	C_s
232	HCO^-	formyl anion	¹A^'	C_s
233	HCO⁺	Formyl cation	¹Σ	C_∞v
234	HNO	Nitrosyl hydride	¹A^'	C_s
235	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
236	HO₂	Hydroperoxy radical	²A^"	C_s
237	HSO⁺	Sulfur Monoxide, S-protonated
238	SOH	Sulfur Hydroxide
239	SOH⁺	Sulfur Monoxide, protonated
240	H₂CO	Formaldehyde	¹A₁	C_2v
241	H₂CO^-	formaldehyde anion	²A^'	C_s
242	H₂CO^-	formaldehyde anion
243	H₂CO⁺	formaldehyde cation	²B₂	C_2v
244	H₂CS	Thioformaldehyde	¹A₁	C_2v
245	H₂CS^-	thioformaldehyde anion
246	H₂CS^-	thioformaldehyde anion
247	H₂CSe	Selenoformaldehyde
248	H₂O₂	Hydrogen peroxide	¹A	C₂
249	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
250	H₂OO	water oxide
251	HOSH	hydrogen thioperoxide
252	H₂Se₂	hydrogen diselenide
253	NH₂OH	hydroxylamine	¹A^'	C_s
254	NH₂OH⁺	Hydroxylamine cation
255	NH₂SH	Thiohydroxylamine
256	NH₂SH	Thiohydroxylamine
257	NH₃S	sulfidoazane
258	CH₃OH	Methyl alcohol	¹A^'	C_s
259	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
260	SiH₃OH	silanol
261	NH₂OH₂⁺	protonated hydroxylamine
262	NH₃OH⁺	N-protonated hydroxylamine
263	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
264	LiF	lithium fluoride	¹Σ	C_∞v
265	LiCl	lithium chloride	¹Σ	C_∞v
266	NaF⁺	sodium fluoride cation	²Σ	C_∞v
267	LiBr	Lithium Bromide	¹Σ	C_∞v
268	LiF⁺	lithium fluoride cation	²Π	C_∞v
269	CaBr	Calcium monobromide
270	BF	Boron monofluoride	¹Σ	C_∞v
271	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
272	GaF	Gallium monofluoride	¹Σ	C_∞v
273	AlBr	Aluminum monobromide
274	GaCl	Gallium monochloride	¹Σ_G	C_∞v
275	GaBr	Gallium monobromide
276	CF	Fluoromethylidyne	²Π	C_∞v
277	CF^-	carbon monofluoride anion	³Σ	C_∞v
278	SiCl	Clorosilylidyne	²Π	C_∞v
279	CBr	Carbon monobromide	²Π	C_∞v
280	GeF	Germanium monofluoride	²Π	C_∞v
281	GeCl	Germanium monochloride	²Π	C_∞v
282	GeCl⁺	Germanium monochloride cation
283	SiBr	Silicon monobromide	²Π	C_∞v
284	SiBr⁺	Silicon monobromide cation
285	NCl	nitrogen monochloride	³Σ	C_∞v
286	PBr	Phosphorus monobromide
287	ClO	Monochlorine monoxide	²Π	C_∞v
288	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
289	SF	Monosulfur monofluoride	²Π	C_∞v
290	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
291	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
292	BrO	Bromine monoxide	²Π	C_∞v
293	BrO⁺	Bromine monoxide cation
294	SBr	Sulfur monobromide radical
295	SBr⁺	Sulfur monobromide cation
296	SeBr	Selenium monobromide
297	BrCl	Bromine monochloride	¹Σ	C_∞v
298	F₂	Fluorine diatomic	¹Σ_g	D_∞h
299	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
300	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
301	ClF⁺	clorine monofluoride cation	²Π	C_∞v
302	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
303	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
304	BrF	Bromine monofluoride	¹Σ	C_∞v
305	Br₂	Bromine diatomic	¹Σ_g	D_∞h
306	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
307	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
308	HCF	Fluoromethylene	¹A^'	C_s
309	HCF	Fluoromethylene	³A^"	C_s
310	HSiF	fluorosilylene
311	HSiCl	Chlorosilylene
312	HSiBr	monobromosilylene
313	HOF	Hypofluorous acid	¹A^'	C_s
314	HOCl	hypochlorous acid	¹A^'	C_s
315	HOCl⁺	hypochlorous acid cation
316	F₂H⁺	Fluorine, protonated	¹A^'	C_s
317	ClFH⁺	Chlorine fluoride, F-protonated
318	FClH⁺	Chlorine fluoride, Cl-protonated
319	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
320	CH₂Br	bromomethyl radical
321	CH₂F	fluoromethyl radical	²A	C_s
322	CH₂F⁺	fluoromethyl cation
323	CH₂Cl⁺	chloromethyl cation
324	CH₂Cl	chloromethyl radical	²A^'	C_s
325	CH₂Cl	chloromethyl radical	²B₁	C_2v
326	NH₂Cl	chloramine	¹A^'	C_s
327	CH₃F⁺	methyl fluoride cation
328	CH₃Cl	Methyl chloride	¹A₁	C_3v
329	SiH₃F	monofluorosilane	¹A₁	C_3v
330	SiH₃Cl	chlorosilane	¹A₁	C₁
331	CH₃Br	methyl bromide	¹A₁	C_3v
332	GeH₃F	monofluorogermane
333	GeH₃Cl	monochlorogermane
334	NH₃Cl⁺	protonated monochloroammonia
335	CH₃ClH⁺	methyl chloride, protonated
336	NH₄Cl	Ammonium chloride
337	LiNe⁺	Lithium Neon cation
338	Ar₂	Argon diatomic	¹S_g	D_∞h
339	C₃	carbon trimer	¹Σ_g	D_∞h
340	C₃	carbon trimer	¹A₁	C_2v
341	SiC₂	Silicon dicarbide
342	C₃H₄	cyclopropene	¹A₁	C_2v
343	CH₂CCH₂	allene	¹A₁	D_2d
344	CH₃CCH	propyne	¹A^'	C_3v
345	C₃H₅	Allyl radical	²A₂	C_2v
346	C₃H₆	Cyclopropane	¹A₁^'	D_3h
347	CH₂CHCH₃	Propene	¹A^'	C_s
348	C₃H₇	n-Propyl radical	²A^"	C₁
349	CH₃CHCH₃	Isopropyl radical	²A	C₂
350	C₃H₈	Propane	¹A₁	C_2v
351	Si₃H₈	trisilane
352	ZnCN	Zinc monocyanide	²Σ	C_∞v
353	ZnNC	Zinc isocyanide	²Σ	C_∞v
354	AlCN	Aluminum monocyanide
355	AlNC	Aluminum isocyanide
356	CNN	Diazocarbene
357	HN₃	hydrogen azide	¹A^'	C_s
358	HN₃⁺	Hydrazoic acid cation
359	HNCNH	diiminomethane	¹A	C₂
360	HNNNH⁺	1,2-Triazadienium
361	NH₂NN⁺	hydrazoic acid, protonated
362	CH₃CN	Acetonitrile	¹A₁	C_3v
363	CH₃CN^-	acetonitrile anion	²E	C_3v
364	CH₃CN^-	acetonitrile anion	²A^'	C_s
365	CHNCH₂	2H-Azirine
366	CHNHCH	1H-Azirine
367	H₂CCNH	Ethenimine
368	H₂CNCH	methyleneaminomethylene
369	HCCNH₂	Ethynamine
370	HCNCH₂⁺	2H-Azirine cation
371	NH₂CNH⁺	cyanamide, cn protonated
372	NH₃CN⁺	cyanamide, amine protonated
373	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
374	CH₃CH₂NH₂	Ethylamine	¹A^'	C_s
375	CH₃CH₂NH₂	Ethylamine
376	Na₂S	Sodium sulfide
377	Na₂S	Sodium sulfide
378	LiO₂	Lithium dioxide
379	NaO₂	Sodium superoxide
380	NCO	isocyanato radical	²Π	C_∞v
381	N₂O	Nitrous oxide	¹Σ	C_∞v
382	CO₂	Carbon dioxide	¹Σ_g	D_∞h
383	OCS	Carbonyl sulfide	¹Σ	C_∞v
384	CS₂	Carbon disulfide	¹Σ_g	D_∞h
385	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
386	OCSe	Carbonyl selenide	¹Σ	C_∞v
387	SCSe	Carbon sulfide selenide
388	NSO	sulfinyl amidogen
389	SNO	Nitrogen oxide sulfide
390	SO₂	Sulfur dioxide	¹A₁	C_2v
391	SSO	Disulfur monoxide	¹A^'	C_s
392	S₃	Sulfur trimer	¹A₁	C_2v
393	S₃	Sulfur trimer
394	SeO₂	Selenium dioxide	¹A₁	C_2v
395	HCCO	ketenyl radical	²Π	C_∞v
396	HCCO	ketenyl radical	²A^"	C_s
397	HCNO	fulminic acid	¹Σ	C_∞v
398	HNCS	Isothiocyanic acid
399	HSCN	thiocyanic acid	¹A^'	C_s
400	HOCO	Hydrocarboxyl radical	¹A^'	cis
401	HOCO	Hydrocarboxyl radical	¹A^'	trans
402	O₃H⁺	protonated ozone	¹A^'	C_s
403	O₃H⁺	protonated ozone
404	C₂H₂O	Oxirene	¹A₁	C_2v
405	CH₂CO	Ketene	¹A₁	C_2v
406	CH₂CS	Thioketene
407	Be(OH)₂	Beryllium hydroxide
408	Be(OH)₂	Beryllium hydroxide
409	HCOOH	Formic acid	¹A^'	C_s
410	HCOOH	Formic acid
411	BH₃CO	Borane carbonyl	¹A₁	C_3v
412	CH₂COH⁺	ketene, protonated
413	CH₃CO	Acetyl radical	²A^'	C_s
414	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
415	CHSNH₂	thioformamide
416	NHCHSH	Methanimidothioic acid
417	C₂H₄O	Ethylene oxide	¹A₁	C_2v
418	C₂H₄O⁺	ethylene oxide cation
419	CH₃CHO	Acetaldehyde	¹A^'	C_s
420	CH₃CHO⁺	acetaldehyde cation
421	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
422	C₂H₄S	Thiirane	¹A₁	C_2v
423	CH₂CHSH	Ethenethiol
424	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
425	NH₂CHOH⁺	Formamide, O-protonated
426	CH₃SSH	Hydrogen methyl disulfide
427	HSCH₂SH	Methanedithiol
428	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
429	NH₂CH₂OH	aminomethanol
430	CH₃CH₂SH	ethanethiol	¹A^'	C_s
431	CH₃CH₂SH	ethanethiol	¹A	C₁
432	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
433	CH₃SCH₃⁺	dimethyl sulfide cation
434	BrCN	Cyanogen bromide	¹Σ	C_∞v
435	FBO	Boron monofluoride monoxide
436	BeBr₂	Beryllium bromide
437	CaBr₂	Calcium dibromide
438	BF₂	Boron difluoride radical	²A₁	C_2v
439	FNO	Nitrosyl fluoride	¹A^'	C_s
440	ClNO	Nitrosyl chloride	¹A^'	C_s
441	FSN	Thiazyl fluoride	¹A^'	C_s
442	OPCl	Phosphorus oxychloride
443	CF₂	Difluoromethylene	¹A₁	D_∞h
444	SiF₂	Silicon difluoride	¹A₁	C_2v
445	GeCl₂	Germanium dichloride	¹A₁	C_2v
446	FOO⁺	Fluorine dioxide cation
447	OClO	Chlorine dioxide	²B₁	D_∞h
448	OClO^-	Chlorine dioxide anion	¹A^'	C_s
449	BrOO	Bromine dioxide
450	PF₂	Phosphorus difluoride
451	PF₂⁺	Phosphorus difluoride cation
452	SF₂	sulfur difluoride	¹A₁	C_2v
453	SeF₂	Selenium difluoride
454	SeCl₂	Selenium Dichloride
455	SBr₂	Sulfur dibromide
456	SeBr₂	Selenium dibromide
457	Br₃^-	tribromide anion
458	SFCl	Sulfur chloride fluoride
459	HCCF	Fluoroacetylene	¹Σ	C_∞v
460	CHF₂	difluoromethyl radical	²A	C_s
461	CHF₂⁺	difluoromethyl cation
462	CHFCl	Chlorofluoromethyl radical
463	CHFCl⁺	Chlorofluoromethyl cation
464	CHCl₂⁺	dichloromethyl cation
465	CHBr₂	dibromomethyl radical
466	NHF₂	difluoramine
467	NHCl₂	dichloroamine
468	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
469	SiH₂F₂	difluorosilane
470	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
471	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
472	CH₂Br₂	dibromomethane	¹A₁	C_2v
473	CH₃MgBr	Methyl Magnesium Bromide
474	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
475	CH₂FOH	fluoromethanol
476	C₂H₅Br	Ethyl bromide	¹A^'	C_s
477	C₄	Carbon tetramer	³Σ_g	D_∞h
478	C₄	Carbon tetramer
479	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
480	C₄H₄	Tetrahedrane
481	C₄H₆	1-Methylcyclopropene	¹A	C₁
482	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
483	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
484	As₄	Arsenic tetramer	¹A₁	T_d
485	H₂CNCN	cyanamide, methylene
486	HNCCNH	Ethenediimine
487	C₂H₅CN	ethyl cyanide	¹A^'	C_s
488	H₂NCHCHNH₂	diaminoethylene
489	N(SiH₃)₃	trisilylamine
490	Na₂O₂	disodium dioxide
491	ONNO	NO dimer	¹A_g	trans C2H
492	ONNO	NO dimer	¹A₁	cis C2V
493	CS₃^--	Carbonotrithioate
494	SO₃	Sulfur trioxide	¹A₁^'	D_3h
495	SO₃^--	Sulfate dianion
496	S₄	Sulfur tetramer
497	S₄	Sulfur tetramer
498	S₄	Sulfur tetramer
499	HNO₃	Nitric acid	¹A^'	C_s
500	C₃H₂O	Propadienal

count

Species

Name

State

Conformation

Hydrogen atom

¹S

K_h

H₂

Hydrogen diatomic

¹Σ_g

D_∞h

Helium atom

¹S

K_h

Helium atom

He⁺

Helium atom cation

²S

K_h

HeH⁺

Helium hydride cation

¹Σ

C_∞v

He₂⁺

helium diatomic cation

²Σ_u

D_∞h

Lithium atom

²S

K_h

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

GaH

Gallium monohydride

¹Σ

C_∞v

GaH⁺

Gallium monohydride cation

²Σ

C_∞v

BH₃⁺

boron trihydride cation

²B₂

C_2v

BH₃⁺

boron trihydride cation

C_2v

AlH₃^-

aluminum trihydride anion

C_3v

BH₄^-

borohydride anion

¹A₁

T_d

Carbon atom

³P₀

K_h

Carbon atom

³P₁

K_h

C⁺

Carbon atom cation

²P

K_h

Silicon atom

³P

K_h

Silicon atom

¹S

K_h

Si^-

Silicon atom anion

⁴S

K_h

Si⁺

Silicon atom cation

²P

K_h

Germanium atom

³P

K_h

Ge^-

Germanium anion

⁴S

K_h

Ge⁺

Germanium cation

²P

K_h

Methylidyne

²Π_1/2

C_∞v

SiH

Silylidyne

²Π

C_∞v

GeH

germylidene

²Π

C_∞v

CH₂^-

methylene anion

²B₁

C_2v

GeH₂

germylene

¹A₁

C_2v

CH₃⁺

methyl 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

GeH₄

Germane

¹A₁

T_d

SiH₅⁺

Silane, protonated

Nitrogen atom

⁴S

K_h

Nitrogen atom

²D

K_h

N⁺

Nitrogen atom cation

³P

K_h

Phosphorus atom

⁴S

K_h

Arsenic atomic

⁴S

K_h

As^-

Arsenic anion

³P

K_h

As⁺

Arsenic cation

³P

K_h

phosphorus monohydride

³Σ^-

C_∞v

AsH

Arsenic monohydride

³Σ

C_∞v

NH₂

Amino radical

²B₁

C_2v

NH₂⁺

Amino cation

³B₁

C_2v

NH₂⁺

Amino cation

¹A₁

C_2v

NH₃

Ammonia

¹A₁

C_3v

PH₃

Phosphine

¹A₁

C_3v

PH₃⁺

Phosphine cation

²A₁

C_3v

AsH₃

Arsine

¹A₁

C_3v

AsH₃⁺

Arsine cation

²A₁

C_3v

AsH₄⁺

Arsonium

NH₄

Ammonium radical

PH₄

Phosphoranyl radical

Oxygen atom

³S

K_h

O⁺

Oxygen atom cation

⁴S

K_h

Sulfur atom

³P

K_h

Sulfur atom

Selenium atom

³P

K_h

Se^-

Selenium atom anion

²P

K_h

Se⁺

Selenium atom cation

⁴S

K_h

Hydroxyl radical

²Π

C_∞v

OH⁺

hydoxyl cation

³Σ

C_∞v

HS^-

mercapto anion

¹Σ

C_∞v

HS⁺

sulfur monohydride cation

³Σ

C_∞v

CrH

Chromium hydride

⁶Σ

C_∞v

HSe

Selenium monohydride

²Π

C_∞v

HSe^-

selenium monohydride anion

¹Σ

C_∞v

HSe⁺

selenium monohydride cation

³Σ

C_∞v

H₂O

Water

¹A₁

C_2v

H₂O^-

water anion

²A₁

C_2v

H₂O^-

water anion

²A^'

C_s

H₂O⁺

water cation

²B₁

C_2v

HDO

Water-d1

¹A₁

C_2v

H₂Se

Hydrogen selenide

¹A₁

C_2v

H₂Se⁺

Hydrogen selenide cation

²B₁

C_2v

100

H₃S⁺

Sulfonium cation

¹A₁

C_3v

101

H₃Se⁺

Hydrogen Selenide, protonated

¹A₁

C_3v

102

Fluorine atom

²P

K_h

103

F⁺

Fluorine atom cation

³S

K_h

104

Chlorine atom

²P

K_h

105

Cl⁺

Chlorine atom cation

³P

K_h

106

Bromine atom

²P

K_h

107

Br^-

Bromine atom anion

¹S

K_h

108

Br⁺

Bromine atom cation

³P

K_h

109

Hydrogen fluoride

¹Σ

C_∞v

110

HF^-

hydrogen fluoride anion

²Σ

C_∞v

111

HF⁺

hydrogen fluoride cation

²Π

C_∞v

112

HCl

Hydrogen chloride

¹Σ

C_∞v

113

HCl^-

hydrogen chloride anion

²Σ

C_∞v

114

HCl⁺

hydrogen chloride cation

²Π

C_∞v

115

HBr

hydrogen bromide

¹Σ

C_∞v

116

HBr^-

hydrogen bromide anion

²Σ

C_∞v

117

HBr⁺

hydrogen bromide cation

²Π

C_∞v

118

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

119

H₂Br⁺

protonated hydrogen bromide

²A₁

C_2v

120

Neon atom

¹S

K_h

121

Neon atom

122

Ne⁺

Neon atom cation

²P

K_h

123

Argon atom

¹S

K_h

124

Krypton atom

¹S

K_h

125

Kr⁺

Krypton cation

²P

K_h

126

HeLi⁺

Helium Lithium cation

127

ArH⁺

Argon hydride cation

¹Σ

C_∞v

128

KrH⁺

Protonated Krypton

¹Σ

C_∞v

129

NaLi

lithium sodium

¹Σ

C_∞v

130

Na₂

Sodium diatomic

¹Σ_g

D_∞h

131

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

132

LiAl

Lithium Aluminum

133

HBBH

Diborane(2)

³Σ_G

D_∞h

134

B₂H₄

Diborane(4) D2d

¹A₁

D_2d

135

B₂H₆

Diborane

¹A_g

D_2h

136

B₂H₆⁺

Diborane cation

137

CaC

Calcium monocarbide

138

BSi

Boron silicide

⁴Σ

C_∞v

139

BSi

Boron silicide

²Σ

C_∞v

140

Si₂

Silicon diatomic

³Σ_g

D_∞h

141

GeC

Germanium monocarbide

¹Σ

C_∞v

142

SiGe

Silicon Germanium

143

C₂H^-

Ethynyl anion

¹Σ

C_∞v

144

C₂H₂

Acetylene

¹Σ_g

D_∞h

145

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

146

C₂H₂⁺

acetylene cation

147

H₂CC^-

vinylidene anion

148

HCCH^-

acetylene anion

149

HCCH^-

acetylene anion

150

Si₂H₂

disilyne

151

Si₂H₂

disilyne

152

Si₂H₂

disilyne

153

Si₂H₂

disilyne

154

CH₃Li

methyl lithium

¹A₁

C_3v

155

C₂H₃

vinyl

²A^'

C_s

156

C₂H₃⁺

vinyl cation

¹A₁

C2V bridging H

157

C₂H₃⁺

vinyl cation

¹A₁

C2V HCCH2

158

C₂H₄

Ethylene

¹A_g

D_2h

159

Si₂H₄

Disilene

160

Si₂H₄

Disilene

161

Si₂H₄

Disilene

162

C₂H₅

Ethyl radical

²A^'

C_s

163

C₂H₆

Ethane

¹A_1g

D_3d

164

Si₂H₆

disilane

¹E_u

D_3d

165

LiN

Lithium Nitride

³Σ

C_∞v

166

LiP

Lithium monophosphide

167

LiP

Lithium monophosphide

168

MgN

Magnesium Nitride

169

MgN

Magnesium Nitride

170

GaAs

Gallium arsenide

³Π

171

GaAs

Gallium arsenide

¹Σ

172

boron nitride

³Π

C_∞v

173

AlN

Aluminum nitride

³Π_i

C_∞v

174

Cyano radical

²Σ

C_∞v

175

SiP

Silicon monophosphide

²Π

C_∞v

176

N₂

Nitrogen diatomic

¹Σ_g

D_∞h

177

N₂

Nitrogen diatomic

178

Phosphorus mononitride

¹Σ

C_∞v

179

HCN

Hydrogen cyanide

¹Σ

C_∞v

180

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

181

HNC⁺

hydrogen isocyanide cation

182

HCP⁺

Phosphaethyne cation

183

NNH⁺

Dinitrogen monohydride cation

¹Σ

C_∞v

184

LiNH₂

lithium amide

185

HBNH

Boranimine

¹Σ

C_∞v

186

H₂NN

Isodiazene

187

CH₂NH

Methanimine

¹A^'

C_s

188

CH₂NH⁺

Methanimine cation

189

CHNH₂

aminomethylene

190

CHNH₂⁺

Aminocarbene cation

191

BH₂NH₂

Boranamine

192

CH₃NH₂

methyl amine

¹A^'

C_s

193

SiH₃NH₂

Silane, amino

194

BH₃PH₃

borane phosphine

195

CH₃NH₃

methyl ammonium radical

²A₁

C_3v

196

N₂H₇⁺

ammonia ammonium dimer

197

LiSe

Lithium monoselenide

198

CaO

Calcium monoxide

¹Σ

C_∞v

199

CaS

Calcium sulfide

¹Σ

C_∞v

200

boron monoxide

²Σ

C_∞v

201

BO^-

boron monoxide anion

¹Σ

C_∞v

202

GaO

Gallium monoxide

²Σ

C_∞v

203

GaS

Gallium monosulfide

204

Carbon monoxide

¹Σ

C_∞v

205

CO⁺

carbon monoxide cation

²Σ

C_∞v

206

carbon monosulfide

¹Σ

C_∞v

207

SiO

Silicon monoxide

¹Σ

C_∞v

208

SiS

silicon monosulfide

¹Σ

C_∞v

209

CSe

Carbon monoselenide

¹Σ

C_∞v

210

GeO

Germanium monoxide

¹Σ

C_∞v

211

SiSe

Silicon Monoselenide

212

SiSe⁺

Silicon Monoselenide cation

213

GeSe

Germanium monoselenide

214

Nitric oxide

²Π

C_∞v

215

NO^-

nitric oxide anion

³Σ

C_∞v

216

NO⁺

nitric oxide cation

¹Σ

C_∞v

217

phosphorus sulfide

²Σ

C_∞v

218

O₂

Oxygen diatomic

³Σ_g

D_∞h

219

O₂^--

dioxygen dianion

220

Sulfur monoxide

³Σ

C_∞v

221

Sulfur monoxide

¹Σ

C_∞v

222

SO⁺

sulfur monoxide cation

²Π

C_∞v

223

S₂

Sulfur diatomic

³Σ_g

D_∞h

224

SeO

Selenium monoxide

³Σ

C_∞v

225

Se₂

Selenium diatomic

³Σ_g

D_∞h

226

LiOH

lithium hydroxide

¹Σ

C_∞v

227

BeOH

beryllium monohydroxide

²A^'

C_s

228

HBO

Boron hydride oxide

¹Σ

C_∞v

229

HBS

hydrogen boron sulfide

¹Σ

C_∞v

230

COH

Hydroxymethylidyne

231

HCO

Formyl radical

²A^'

C_s

232

HCO^-

formyl anion

¹A^'

C_s

233

HCO⁺

Formyl cation

¹Σ

C_∞v

234

HNO

Nitrosyl hydride

¹A^'

C_s

235

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

236

HO₂

Hydroperoxy radical

²A^"

C_s

237

HSO⁺

Sulfur Monoxide, S-protonated

238

SOH

Sulfur Hydroxide

239

SOH⁺

Sulfur Monoxide, protonated

240

H₂CO

Formaldehyde

¹A₁

C_2v

241

H₂CO^-

formaldehyde anion

²A^'

C_s

242

H₂CO^-

formaldehyde anion

243

H₂CO⁺

formaldehyde cation

²B₂

C_2v

244

H₂CS

Thioformaldehyde

¹A₁

C_2v

245

H₂CS^-

thioformaldehyde anion

246

H₂CS^-

thioformaldehyde anion

247

H₂CSe

Selenoformaldehyde

248

H₂O₂

Hydrogen peroxide

¹A

C₂

249

H₂O₂

Hydrogen peroxide

¹A_g

C_2h

250

H₂OO

water oxide

251

HOSH

hydrogen thioperoxide

252

H₂Se₂

hydrogen diselenide

253

NH₂OH

hydroxylamine

¹A^'

C_s

254

NH₂OH⁺

Hydroxylamine cation

255

NH₂SH

Thiohydroxylamine

256

NH₂SH

Thiohydroxylamine

257

NH₃S

sulfidoazane

258

CH₃OH

Methyl alcohol

¹A^'

C_s

259

CH₃OH⁺

Methyl alcohol cation

²A^"

C_s

260

SiH₃OH

silanol

261

NH₂OH₂⁺

protonated hydroxylamine

262

NH₃OH⁺

N-protonated hydroxylamine

263

H₅O₂⁺

Dihydroxonium ion

¹A

C₂

264

LiF

lithium fluoride

¹Σ

C_∞v

265

LiCl

lithium chloride

¹Σ

C_∞v

266

NaF⁺

sodium fluoride cation

²Σ

C_∞v

267

LiBr

Lithium Bromide

¹Σ

C_∞v

268

LiF⁺

lithium fluoride cation

²Π

C_∞v

269

CaBr

Calcium monobromide

270

Boron monofluoride

¹Σ

C_∞v

271

AlF

Aluminum monofluoride

¹Σ⁺

C_∞v

272

GaF

Gallium monofluoride

¹Σ

C_∞v

273

AlBr

Aluminum monobromide

274

GaCl

Gallium monochloride

¹Σ_G

C_∞v

275

GaBr

Gallium monobromide

276

Fluoromethylidyne

²Π

C_∞v

277

CF^-

carbon monofluoride anion

³Σ

C_∞v

278

SiCl

Clorosilylidyne

²Π

C_∞v

279

CBr

Carbon monobromide

²Π

C_∞v

280

GeF

Germanium monofluoride

²Π

C_∞v

281

GeCl

Germanium monochloride

²Π

C_∞v

282

GeCl⁺

Germanium monochloride cation

283

SiBr

Silicon monobromide

²Π

C_∞v

284

SiBr⁺

Silicon monobromide cation

285

NCl

nitrogen monochloride

³Σ

C_∞v

286

PBr

Phosphorus monobromide

287

ClO

Monochlorine monoxide

²Π

C_∞v

288

ClO⁺

chlorine monoxide cation

³Σ

C_∞v

289

Monosulfur monofluoride

²Π

C_∞v

290

SF⁺

sulfur monofluoride cation

³Σ

C_∞v

291

SCl⁺

sulfur monochloride cation

³Σ_g

C_∞v

292

BrO

Bromine monoxide

²Π

C_∞v

293

BrO⁺

Bromine monoxide cation

294

SBr

Sulfur monobromide radical

295

SBr⁺

Sulfur monobromide cation

296

SeBr

Selenium monobromide

297

BrCl

Bromine monochloride

¹Σ

C_∞v

298

F₂

Fluorine diatomic

¹Σ_g

D_∞h

299

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

300

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

301

ClF⁺

clorine monofluoride cation

²Π

C_∞v

302

Cl₂

Chlorine diatomic

¹Σ_g

D_∞h

303

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

304

BrF

Bromine monofluoride

¹Σ

C_∞v

305

Br₂

Bromine diatomic

¹Σ_g

D_∞h

306

Br₂^-

bromine diatomic anion

²Σ_u

D_∞h

307

Br₂⁺

bromine diatomic cation

²Π_g

D_∞h

308

HCF

Fluoromethylene

¹A^'

C_s

309

HCF

Fluoromethylene

³A^"

C_s

310

HSiF

fluorosilylene

311

HSiCl

Chlorosilylene

312

HSiBr

monobromosilylene

313

HOF

Hypofluorous acid

¹A^'

C_s

314

HOCl

hypochlorous acid

¹A^'

C_s

315

HOCl⁺

hypochlorous acid cation

316

F₂H⁺

Fluorine, protonated

¹A^'

C_s

317

ClFH⁺

Chlorine fluoride, F-protonated

318

FClH⁺

Chlorine fluoride, Cl-protonated

319

Cl₂H⁺

Chlorine, protonated

¹A^'

C_s

320

CH₂Br

bromomethyl radical

321

CH₂F

fluoromethyl radical

²A

C_s

322

CH₂F⁺

fluoromethyl cation

323

CH₂Cl⁺

chloromethyl cation

324

CH₂Cl

chloromethyl radical

²A^'

C_s

325

CH₂Cl

chloromethyl radical

²B₁

C_2v

326

NH₂Cl

chloramine

¹A^'

C_s

327

CH₃F⁺

methyl fluoride cation

328

CH₃Cl

Methyl chloride

¹A₁

C_3v

329

SiH₃F

monofluorosilane

¹A₁

C_3v

330

SiH₃Cl

chlorosilane

¹A₁

C₁

331

CH₃Br

methyl bromide

¹A₁

C_3v

332

GeH₃F

monofluorogermane

333

GeH₃Cl

monochlorogermane

334

NH₃Cl⁺

protonated monochloroammonia

335

CH₃ClH⁺

methyl chloride, protonated

336

NH₄Cl

Ammonium chloride

337

LiNe⁺

Lithium Neon cation

338

Ar₂

Argon diatomic

¹S_g

D_∞h

339

C₃

carbon trimer

¹Σ_g

D_∞h

340

C₃

carbon trimer

¹A₁

C_2v

341

SiC₂

Silicon dicarbide

342

C₃H₄

cyclopropene

¹A₁

C_2v

343

CH₂CCH₂

allene

¹A₁

D_2d

344

CH₃CCH

propyne

¹A^'

C_3v

345

C₃H₅

Allyl radical

²A₂

C_2v

346

C₃H₆

Cyclopropane

¹A₁^'

D_3h

347

CH₂CHCH₃

Propene

¹A^'

C_s

348

C₃H₇

n-Propyl radical

²A^"

C₁

349

CH₃CHCH₃

Isopropyl radical

²A

C₂

350

C₃H₈

Propane

¹A₁

C_2v

351

Si₃H₈

trisilane

352

ZnCN

Zinc monocyanide

²Σ

C_∞v

353

ZnNC

Zinc isocyanide

²Σ

C_∞v

354

AlCN

Aluminum monocyanide

355

AlNC

Aluminum isocyanide

356

CNN

Diazocarbene

357

HN₃

hydrogen azide

¹A^'

C_s

358

HN₃⁺

Hydrazoic acid cation

359

HNCNH

diiminomethane

¹A

C₂

360

HNNNH⁺

1,2-Triazadienium

361

NH₂NN⁺

hydrazoic acid, protonated

362

CH₃CN

Acetonitrile

¹A₁

C_3v

363

CH₃CN^-

acetonitrile anion

²E

C_3v

364

CH₃CN^-

acetonitrile anion

²A^'

C_s

365

CHNCH₂

2H-Azirine

366

CHNHCH

1H-Azirine

367

H₂CCNH

Ethenimine

368

H₂CNCH

methyleneaminomethylene

369

HCCNH₂

Ethynamine

370

HCNCH₂⁺

2H-Azirine cation

371

NH₂CNH⁺

cyanamide, cn protonated

372

NH₃CN⁺

cyanamide, amine protonated

373

C₂H₆N⁺

aziridine, protonated

¹A₁

C_2v

374

CH₃CH₂NH₂

Ethylamine

¹A^'

C_s

375

CH₃CH₂NH₂

Ethylamine

376

Na₂S

Sodium sulfide

377

Na₂S

Sodium sulfide

378

LiO₂

Lithium dioxide

379

NaO₂

Sodium superoxide

380

NCO

isocyanato radical

²Π

C_∞v

381

N₂O

Nitrous oxide

¹Σ

C_∞v

382

CO₂

Carbon dioxide

¹Σ_g

D_∞h

383

OCS

Carbonyl sulfide

¹Σ

C_∞v

384

CS₂

Carbon disulfide

¹Σ_g

D_∞h

385

GeO₂

Germanium dioxide

¹Σ_g

D_∞h

386

OCSe

Carbonyl selenide

¹Σ

C_∞v

387

SCSe

Carbon sulfide selenide

388

NSO

sulfinyl amidogen

389

SNO

Nitrogen oxide sulfide

390

SO₂

Sulfur dioxide

¹A₁

C_2v

391

SSO

Disulfur monoxide

¹A^'

C_s

392

S₃

Sulfur trimer

¹A₁

C_2v

393

S₃

Sulfur trimer

394

SeO₂

Selenium dioxide

¹A₁

C_2v

395

HCCO

ketenyl radical

²Π

C_∞v

396

HCCO

ketenyl radical

²A^"

C_s

397

HCNO

fulminic acid

¹Σ

C_∞v

398

HNCS

Isothiocyanic acid

399

HSCN

thiocyanic acid

¹A^'

C_s

400

HOCO

Hydrocarboxyl radical

¹A^'

cis

401

HOCO

Hydrocarboxyl radical

¹A^'

trans

402

O₃H⁺

protonated ozone

¹A^'

C_s

403

O₃H⁺

protonated ozone

404

C₂H₂O

Oxirene

¹A₁

C_2v

405

CH₂CO

Ketene

¹A₁

C_2v

406

CH₂CS

Thioketene

407

Be(OH)₂

Beryllium hydroxide

408

Be(OH)₂

Beryllium hydroxide

409

HCOOH

Formic acid

¹A^'

C_s

410

HCOOH

Formic acid

411

BH₃CO

Borane carbonyl

¹A₁

C_3v

412

CH₂COH⁺

ketene, protonated

413

CH₃CO

Acetyl radical

²A^'

C_s

414

HOCHNH

hydroxymethylimine

¹A^'

CS H all up

415

CHSNH₂

thioformamide

416

NHCHSH

Methanimidothioic acid

417

C₂H₄O

Ethylene oxide

¹A₁

C_2v

418

C₂H₄O⁺

ethylene oxide cation

419

CH₃CHO

Acetaldehyde

¹A^'

C_s

420

CH₃CHO⁺

acetaldehyde cation

421

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

422

C₂H₄S

Thiirane

¹A₁

C_2v

423

CH₂CHSH

Ethenethiol

424

CH₃CHS

Thioacetaldehyde

¹A^'

C₁

425

NH₂CHOH⁺

Formamide, O-protonated

426

CH₃SSH

Hydrogen methyl disulfide

427

HSCH₂SH

Methanedithiol

428

C₂H₄OH⁺

ethylene oxide, protonated

¹A^'

C_s

429

NH₂CH₂OH

aminomethanol

430

CH₃CH₂SH

ethanethiol

¹A^'

C_s

431

CH₃CH₂SH

ethanethiol

¹A

C₁

432

CH₃SCH₃

Dimethyl sulfide

¹A₁

C_2v

433

CH₃SCH₃⁺

dimethyl sulfide cation

434

BrCN

Cyanogen bromide

¹Σ

C_∞v

435

FBO

Boron monofluoride monoxide

436

BeBr₂

Beryllium bromide

437

CaBr₂

Calcium dibromide

438

BF₂

Boron difluoride radical

²A₁

C_2v

439

FNO

Nitrosyl fluoride

¹A^'

C_s

440

ClNO

Nitrosyl chloride

¹A^'

C_s

441

FSN

Thiazyl fluoride

¹A^'

C_s

442

OPCl

Phosphorus oxychloride

443

CF₂

Difluoromethylene

¹A₁

D_∞h

444

SiF₂

Silicon difluoride

¹A₁

C_2v

445

GeCl₂

Germanium dichloride

¹A₁

C_2v

446

FOO⁺

Fluorine dioxide cation

447

OClO

Chlorine dioxide

²B₁

D_∞h

448

OClO^-

Chlorine dioxide anion

¹A^'

C_s

449

BrOO

Bromine dioxide

450

PF₂

Phosphorus difluoride

451

PF₂⁺

Phosphorus difluoride cation

452

SF₂

sulfur difluoride

¹A₁

C_2v

453

SeF₂

Selenium difluoride

454

SeCl₂

Selenium Dichloride

455

SBr₂

Sulfur dibromide

456

SeBr₂

Selenium dibromide

457

Br₃^-

tribromide anion

458

SFCl

Sulfur chloride fluoride

459

HCCF

Fluoroacetylene

¹Σ

C_∞v

460

CHF₂

difluoromethyl radical

²A

C_s

461

CHF₂⁺

difluoromethyl cation

462

CHFCl

Chlorofluoromethyl radical

463

CHFCl⁺

Chlorofluoromethyl cation

464

CHCl₂⁺

dichloromethyl cation

465

CHBr₂

dibromomethyl radical

466

NHF₂

difluoramine

467

NHCl₂

dichloroamine

468

CH₂F₂

Methane, difluoro-

¹A₁

C_2v

469

SiH₂F₂

difluorosilane

470

CH₂Cl₂

Methylene chloride

¹A₁

C_2v

471

CH₂BrCl

Methane, bromochloro-

¹A^'

C_s

472

CH₂Br₂

dibromomethane

¹A₁

C_2v

473

CH₃MgBr

Methyl Magnesium Bromide

474

CH₂CHF

Ethene, fluoro-

¹A^'

C_s

475

CH₂FOH

fluoromethanol

476

C₂H₅Br

Ethyl bromide

¹A^'

C_s

477

C₄

Carbon tetramer

³Σ_g

D_∞h

478

C₄

Carbon tetramer

479

C₄H₂⁺

diacetlyene cation

²Π_g

D_∞h

480

C₄H₄

Tetrahedrane

481

C₄H₆

1-Methylcyclopropene

¹A

C₁

482

CH₂CHCH₂CH₃

1-Butene

¹A

C₁

483

CH₃CH₂CH₂CH₃

Butane

¹A_g

Anti

484

As₄

Arsenic tetramer

¹A₁

T_d

485

H₂CNCN

cyanamide, methylene

486

HNCCNH

Ethenediimine

487

C₂H₅CN

ethyl cyanide

¹A^'

C_s

488

H₂NCHCHNH₂

diaminoethylene

489

N(SiH₃)₃

trisilylamine

490

Na₂O₂

disodium dioxide

491

ONNO

NO dimer

¹A_g

trans C2H

492

ONNO

NO dimer

¹A₁

cis C2V

493

CS₃^--

Carbonotrithioate

494

SO₃

Sulfur trioxide

¹A₁^'

D_3h

495

SO₃^--

Sulfate dianion

496

S₄

Sulfur tetramer

497

S₄

Sulfur tetramer

498

S₄

Sulfur tetramer

499

HNO₃

Nitric acid

¹A^'

C_s

500

C₃H₂O

Propadienal

501

C₃H₂O

Propadienal

502

C₂H₂O₂

Ethanedial

¹A_g

C_2h

503

CH₃NCO

methylisocyante

504

HOCH₂CN

cyanomethanol

505

CH₃NO₂

Methane, nitro-

¹A^'

C_s

506

H₃AlO₃

Aluminum hydroxide

507

CH₂CHCHO

Acrolein

¹A^'

C_s

508

CH₂CHCHO

Acrolein

509

CH₂C(OH)NH₂

1-amino vinyl alchohol

510

CH₃C(OH)=NH

Ethaninidic acid

511

CH₃CSNH₂

Ethanethioamide

512

CH₃CH₂CHO

Propanal

¹A^'

C_s

513

CH₃SSCH₃

Disulfide, dimethyl

¹A

C₂

514

C₃H₇OH

1-Propanol

515

Li₂F₂

Lithium fluoride dimer

516

CF₂O

Carbonic difluoride

¹A₁

C_2v

517

CF₂O⁺

Carbonic difluoride cation

518

BF₃

Borane, trifluoro-

¹A^'

D_3h

519

BF₃⁺

boron trifluoride cation

520

AlF₃

Aluminum trifluoride

¹A₁^'

D_3h

521

BClF₂

Chlorodifluoroborane

522

BCl₃

Borane, trichloro-

¹A₁^'

D_3h

523

BCl₃⁺

Boron Trichloride cation

524

GaF₃

Gallium trifluoride

¹A₁^'

D_3h

525

GaCl₃

Gallium trichloride

¹A₁^'

D_3h

526

CF₂Cl

difluorochloromethyl radical

527

CFCl₂

dichlorofluoromethyl radical

528

CBr₃

tribromomethyl radical

529

SSCl₂

Thiothionyl chloride

530

NF₃

Nitrogen trifluoride

¹A₁

C_3v

531

NCl₃

nitrogen trichloride

¹A₁

C_3v

532

NBr₃

Nitrogen Tribromide

¹A₁

C_3v

533

HClO₃

Chloric Acid

¹A^'

C_s

534

HClO₃

Chloric Acid

¹A

C₁

535

CHF₃

Methane, trifluoro-

¹A₁

C_3v

536

SiHF₃

trifluorosilane

537

CHBrF₂

Methane, bromodifluoro-

¹A^'

C_s

538

CHBrCl₂

Methane, bromodichloro-

¹A^'

C_s

539

CHBr₂F

dibromofluoromethane

540

AsF₃H⁺

Arsenic trifluoride, protonated

541

CHBrCHBr

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

542

CHBrCHBr

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

543

C₂H₄F₂

1,2-difluoroethane

¹A_g

C2H anti

544

C₂H₄F₂

1,2-difluoroethane

¹A

C2 gauche

545

CH₃CHF₂

Ethane, 1,1-difluoro-

¹A^'

C_s

546

CH₂BrCH₂Cl

1-bromo-2-chloroethane

547

CH₂BrCH₂Cl

1-bromo-2-chloroethane

548

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

¹A_g

C_2h

549

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

¹A

C₂

550

CH₂CHCH₂F

Allyl Fluoride

551

CH₂CHCH₂F

Allyl Fluoride

552

CH₃CHCHF

trans-1-Fluoro-1-propene

553

CH₂FCH₂OH

2-fluoroethanol

554

CH₂FCH₂CH₃

1-Fluoropropane

555

CH₃CHFCH₃

2-Fluoropropane

¹A^'

C_s

556

B₅H₉

pentaborane9

557

C₅H₄

pentatetraene

558

C₅H₈

Bicyclo[1.1.1]pentane

559

C₄H₅N

Pyrrole

¹A₁

C_2v

560

C₃O₂

Carbon suboxide

¹Σ_G

D_∞h

561

B₂O₃

diboron trioxide

562

B₂O₃

diboron trioxide

563

CHOOCHO

diformyl ether

564

C₃H₃NO

Isoxazole

¹A^'

C_s

565

C₃H₃NS

Thiazole

566

C₄H₄Se

selenophene

567

HCOOC₂H₅

Ethyl formate

¹A^'

C_s

568

C₂H₆O₂S

Dimethyl sulfone

¹A₁

C_2v

569

C₄H₈S

Thiophene, tetrahydro-

¹A

C₁

570

C₄H₁₀O

Methyl propyl ether

¹A

C₁

571

CF₃Cl

Methane, chlorotrifluoro-

¹A₁

C_3v

572

CF₂Cl₂

difluorodichloromethane

¹A₁

C_2v

573

CF₃Br

Bromotrifluoromethane

¹A₁

C_3v

574

GeF₄

Germanium tetrafluoride

¹A₁

T_d

575

CBrCl₂F

bromodichlorofluoromethane

576

CBr₂ClF

dibromochlorofluoromethane

577

CBr₂Cl₂

dibromodichloromethane

¹A₁

C_2v

578

CBr₃Cl

tribromochloromethane

¹A₁

C_3v

579

CBr₄

Carbon tetrabromide

¹A₁

T_d

580

GeBr₄

Germanium tetrabromide

581

SF₄

Sulfur tetrafluoride

¹A₁

C_2v

582

SeF₄

Selenium tetrafluoride

583

SCl₄

Sulfur tetrachloride

584

CH₂ClCCCl

1,3-dichloropropyne

585

CHCl₂CCH

3,3-dichloropropyne

586

CHCl₂CHO

dichloroacetaldehyde

587

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

¹A

C₁

588

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

¹A^'

C_s

589

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

590

CH₂FCH₂CH₂F

1,3-difluoropropane

591

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

¹A₁

C_2v

592

C₂H₂N₂O

Furazan

593

C₆H₆

Prismane

594

C₆H₆

1,2,4,5-Hexatetraene

¹A_g

C_2h

595

C₆H₆

Dewar Benzene

596

N₃P₃

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

597

C₄H₄N₂

Pyrazine

¹A_g

D_2h

598

C₃H₂O₃

vinylene carbonate

599

C₅H₆O

2H-Pyran

600

C₅H₆O

Pentadienal

601

C₄H₆O₂

γ–Butyrolactone

¹A

C₁

602

C₃H₆O₃

1,3,5-Trioxane

¹A₁

C₁

603

C₅H₁₀O

3-Pentanone

¹A₁

C_2v

604

C₄F₂

difluorobutadiyne

605

C₂ClF₃

Ethene, chlorotrifluoro-

606

C₂Br₄

tetrabromoethene

607

SiF₅^-

silicon pentafluoride anion

608

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

609

CHCl₂CHCl₂

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

610

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

611

CH(CN)₃

tricyanomethane

612

HN=C=C(CN)₂

Dicyanoketenimine

613

C₆H₁₂O

Oxepane

614

F₂CCCF₂

tetrafluoroallene

615

SF₆

Sulfur Hexafluoride

¹A_1G

O_h

616

C₆H₅CHO

benzaldehyde

¹A^'

C_s

617

C₂Cl₆

hexachloroethane

¹A_1g

D_3d

618

C₆H₅NO

nitrosobenzene

¹A^'

C_s

619

C₃F₆

hexafluoropropene

620

C₈H₁₈O

1-Octanol

621

C₁₀H₁₀

bullvalene

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H^-	Hydrogen atom anion	h-
5	H⁺	Hydrogen atom cation	h+
6	D₂	Deuterium diatomic	d2
7	H₂^-	hydrogen diatomic anion	h2-
8	H₂⁺	Hydrogen cation	h2+
9	HD	Deuterium hydride	hd
10	H₃⁺	hydrogen trimer cation	h3+
11	He^-	Helium atom anion	he-
12	HeH	Helium hydride	heh
13	Li^-	Lithium atom anion	li-
14	Li⁺	Lithium atom cation	li+
15	Na^-	Sodium atom anion	na-
16	Na⁺	Sodium atom cation	na+
17	K	Potassium atom	k
18	K^-	Potassium atom anion	k-
19	K⁺	Potassium atom cation	k+
20	Cu	Copper atom	cu
21	Cu^-	Copper atom anion	cu-
22	Cu⁺	Copper atom cation	cu+
23	LiH^-	lithium hydride anion	lih-
24	LiH⁺	lithium hydride cation	lih+
25	NaH	sodium hydride	nah
26	NaH^-	sodium hydride anion	nah-
27	NaH⁺	sodium hydride cation	nah+
28	KH	Potassium hydride	kh
29	KH⁺	Potassium hydrogen cation	kh+
30	CuH	Copper monohydride	cuh
31	Be^-	Beryllium atom anion	be-
32	Mg^-	Magnesium atom anion	mg-
33	Ca^-	Calcium atom anion	ca-
34	Ca⁺	Calcium atom cation	ca+
35	Zn	Zinc atom	zn
36	Zn^-	Zinc atom anion	zn-
37	Zn⁺	Zinc atom cation	zn+
38	BeH	beryllium monohydride	beh
39	BeH^-	berylium monohydride anion	beh-
40	BeH⁺	beryllium monohydride cation	beh+
41	MgH^-	magnesium monohydride anion	mgh-
42	MgH⁺	magnesium monohydride cation	mgh+
43	CaH	Calcium monohydride	cah
44	CaH⁺	Calcium monohydride cation	cah+
45	TiH	Titanium monohydride	tih
46	ZnH	Zinc monohydride	znh
47	BeH₂	beryllium dihydride	beh2
48	MgH₂	magnesium dihydride	mgh2
49	CaH₂	Calcium Hydride	cah2
50	ZnH₂	Zinc hydride	znh2
51	B^-	Boron atom anion	b-
52	Sc	Scandium atom	sc
53	Sc⁺	Scandium cation	sc+
54	BH	Boron monohydride	bh
55	BH^-	boron monohydride anion	bh-
56	BH⁺	boron monohydride cation	bh+
57	AlH	aluminum monohydride	alh
58	AlH^-	aluminum monohydride anion	alh-
59	AlH⁺	aluminum monohydride cation	alh+
60	ScH	Scandium monohydride	sch
61	ScH⁺	Scandium monohydride cation	sch+
62	BH₂	boron dihydride	bh2
63	BH₂^-	boron dihydride anion	bh2-
64	BH₂⁺	Boron dihydride cation	bh2+
65	AlH₂	aluminum dihydride	alh2
66	AlH₂^-	aluminum dihydride anion	alh2-
67	AlH₂⁺	aluminum dihydride cation	alh2+
68	BH₃	boron trihydride	bh3
69	BH₃^-	boron trihydride anion	bh3-
70	AlH₃	aluminum trihydride	alh3
71	AlH₃⁺	aluminum trihydride cation	alh3+
72	ScH₃	Scandium trihydride	sch3
73	GaH₃	Gallium trihydride	gah3
74	BH₄	borohydride	bh4
75	AlH₄^-	Aluminum tetrahydride anion	alh4-
76	C^-	Carbon atom anion	c-
77	Ti	Titanium atom	ti
78	Ti^-	Titanium atom anion	ti-
79	Ti⁺	Titanium atom cation	ti+
80	Sn	Tin atom	sn
81	Sn⁺	Tin cation	sn+
82	CH^-	methylidyne anion	ch-
83	CH⁺	Methylidyne cation	ch+
84	SiH^-	silicon monohydride anion	sih-
85	SiH⁺	silicon monohydride cation	sih+
86	GeH⁺	Germaniun monohyrdide cation	geh+
87	CH₂	Methylene	ch2
88	CH₂⁺	methylene cation	ch2+
89	SiH₂	silicon dihydride	sih2
90	SiH₂^-	silicon dihydride anion	sih2-
91	SiH₂⁺	silicon dihydride cation	sih2+
92	GeH₂^-	germylene anion	geh2-
93	CH₃	Methyl radical	ch3
94	CH₃^-	methyl anion	ch3-
95	SiH₃^-	Silyl anion	sih3-
96	CD₄	methane-d4	cd4
97	CH₂D₂	methane-d2	ch2d2
98	CH₃D	methane-d	ch3d
99	CH₄^-	Methane anion	ch4-
100	CH₄⁺	Methane cation	ch4+
101	CHD₃	methane-d3	chd3
102	SiH₄	Silane	sih4
103	SiH₄⁺	Silane cation	sih4+
104	SnH₄	Stannane	snh4
105	N^-	Nitrogen atom anion	n-
106	P^-	Phosphorus atom anion	p-
107	P⁺	Phosphorus atom cation	p+
108	V	Vanadium atom	v
109	V⁺	Vanadium atom cation	v+
110	Sb	Antimony atom	sb
111	NH	Imidogen	nh
112	NH^-	Imidogen anion	nh-
113	NH⁺	imidogen cation	nh+
114	PH^-	phosphorus monohydride anion	ph-
115	PH⁺	phosphorus monohydride cation	ph+
116	AsH⁺	Arsenic monohydride cation	ash+
117	SbH	Antimony monohydride	sbh
118	ND₂	Amidogen-d2	nd2
119	NH₂^-	amino anion	nh2-
120	PH₂	Phosphino radical	ph2
121	PH₂^-	Phosphino anion	ph2-
122	PH₂⁺	Phosphino cation	ph2+
123	AsH₂	Arsenic dihydride	ash2
124	AsH₂⁺	Arsenic dihydride cation	ash2+
125	ND₃	Ammonia-d3	nd3
126	NH₃^-	Ammonia anion	nh3-
127	NH₃⁺	ammonia cation	nh3+
128	SbH₃	Stibine	sbh3
129	NH₄⁺	ammonium cation	nh4+
130	PH₄⁺	phosphonium cation	ph4+
131	O^-	Oxygen atom anion	o-
132	S^-	Sulfur atom anion	s-
133	S⁺	Sulfur atom cation	s+
134	Cr	Chromium atom	cr
135	Te	Tellurium atom	te
136	Te⁺	Tellurium atom cation	te+
137	DO	Hydroxyl-d	od
138	OH^-	hydroxide anion	oh-
139	DS	Mercapto-d	ds
140	HS	Mercapto radical	hs
141	CrH⁺	Chromium hydride cation	crh+
142	TeH	Telluryl radical	teh
143	D₂O	Deuterium oxide	d2o
144	D₂S	Hydrogen sulfide-d2	d2s
145	H₂S	Hydrogen sulfide	h2s
146	H₂S^-	Hydrogen sulfide anion	h2s-
147	H₂S⁺	Hydrogen sulfide cation	h2s+
148	H₂Te	Hydrogen Telluride	h2te
149	H₃O⁺	hydronium cation	h3o+
150	F^-	Fluorine atom anion	f-
151	Cl^-	Chlorine atom anion	cl-
152	Mn	Manganese atom	mn
153	I	Iodine atom	iodine
154	I^-	Iodine atom anion	iodine-
155	I⁺	Iodine atom cation	iodine+
156	DF	Hydrofluoric acid-d	df
157	DCl	Hydrochloric acid-d	dcl
158	HI	Hydrogen iodide	hi
159	HI⁺	Hydrogen iodide cation	hi+
160	H₂F⁺	dihydrogen fluoride cation	h2f+
161	H₂I⁺	Iodonium	h2i+
162	Ne^-	Neon atom anion	ne-
163	Ar^-	Argon atom anion	ar-
164	Ar⁺	Argon atom cation	ar+
165	Fe	Iron atom	fe
166	Xe	Xenon atom	xe
167	NeH	neon hydrogen	neh
168	NeH⁺	neon hydrogen cation	neh+
169	XeH⁺	Xenon, protonated	xeh+
170	H₂Ar	H2 Ar dimer	h2ar
171	Co	Cobalt atom	cobalt
172	Ni	Nickel atom	ni
173	Li₂	Lithium diatomic	li2
174	Li₂^-	lithium diatomic anion	li2-
175	Li₂⁺	lithium diatomic cation	li2+
176	NaLi^-	lithium sodium anion	lina-
177	NaLi⁺	lithium sodium cation	lina+
178	LiK	Lithium Potassium	lik
179	Na₂⁺	sodium diatomic cation	na2+
180	NaK	Sodium Potassium	nak
181	NaK⁺	Sodium Potassium diatomic cation	nak+
182	K₂	Potassium diatomic	k2
183	Cu₂	Copper diatomic	cu2
184	LiBe	Lithium Beryllium	libe
185	LiMg	Lithium magnesium	limg
186	NaBe	Sodium Beryllium	nabe
187	NaMg	Sodium Magnesium	namg
188	Be₂	Beryllium diatomic	be2
189	Be₂^-	Beryllium diatomic anion	be2-
190	Be₂⁺	Beryllium diatomic cation	be2+
191	BeMg	Beryllium Magnesium	bemg
192	Mg₂	Magnesium diatomic	mg2
193	Mg₂^-	magnesium diatomic anion	mg2-
194	Mg₂⁺	magnesium diatomic cation	mg2+
195	Ca₂	Calcium diatomic	ca2
196	LiB	Lithium boride	lib
197	NaAl	Sodium aluminum	naal
198	BeB	Beryllium monoboride	beb
199	B₂	Boron diatomic	b2
200	B₂^-	Boron diatomic anion	b2-
201	B₂⁺	Boron diatomic cation	b2+
202	BAl	Boron Aluminum	bal
203	Al₂	Aluminum diatomic	al2
204	Al₂^-	aluminum diatomic anion	al2-
205	Al₂⁺	aluminum diatomic cation	al2+
206	BGa	Boron Gallium	bga
207	AlGa	Aluminum Gallium	alga
208	Ga₂	Gallium diatomic	ga2
209	LiBH₄	Lithium borohydride	libh4
210	HBHHBH	Diborane(4) C2V	hbhhbh
211	Al₂H₆	dialane	al2h6
212	Ga₂H₆	digallane	ga2h6
213	LiC	Lithium Carbide	lic
214	BeC	Beryllium Carbide	bec
215	BC	boron monocarbide	bc
216	BC^-	boron monocarbide anion	bc-
217	BC⁺	boron monocarbide cation	bc+
218	AlC	Aluminum carbide	alc
219	C₂	Carbon diatomic	c2
220	C₂^-	carbon diatomic anion	c2-
221	C₂⁺	carbon diatomic cation	c2+
222	SiC	silicon monocarbide	sic
223	SiC^-	silicon monocarbide anion	sic-
224	SiC⁺	silicon monocarbide cation	sic+
225	Si₂^-	silcon diatomic anion	si2-
226	Si₂⁺	silcon diatomic cation	si2+
227	Ge₂	Germanium diatomic	ge2
228	C₂H	Ethynyl radical	c2h
229	C₂H⁺	Ethynyl cation	c2h+
230	ZnCH₂	Zinc methylene	znch2
231	CCH₂	vinylidene	vinylidene
232	CuCH₃	monomethyl copper	cuch3
233	ZnCH₃	Zinc monomethyl	znch3
234	CH₂BH	methyleneborane	ch2bh
235	C₂H₃^-	vinyl anion	c2h3-
236	C₂H₄^-	Ethylene anion	c2h4-
237	C₂H₄⁺	Ethylene cation	c2h4+
238	CH₃CH	methylmethylene	ch3ch
239	CH₂SiH₂	silaethylene	ch2sih2
240	CH₃BH₂	methylborane	ch3bh2
241	C₂H₅^-	Ethyl anion	c2h5-
242	C₂H₅⁺	Ethyl cation	c2h5+
243	C₂H₆⁺	ethane cation	c2h6+
244	CH₃SiH₃	methyl silane	ch3sih3
245	GeH₃CH₃	methyl germane	geh3ch3
246	C₂H₇⁺	Ethane, protonated	c2h7+
247	LiN⁺	Lithium Nitride cation	lin+
248	BeN	Beryllium mononitride	ben
249	BeN^-	Beryllium mononitride anion	ben-
250	BeN⁺	Beryllium mononitride cation	ben+
251	BN^-	boron nitride anion	bn-
252	AlN^-	aluminum mononitride anion	aln-
253	AlN⁺	aluminum mononitride cation	aln+
254	BP	Boron monophosphide	bp
255	AlP	Aluminum monophosphide	alp
256	GaN	Gallium mononitride	gan
257	GaP	Gallium monophosphide	gap
258	BN⁺	boron nitride cation	bn+
259	CN^-	cyanide anion	cn-
260	CN⁺	Cyano cation	cn+
261	CP	Carbon monophosphide	cp
262	CP^-	carbon monophosphide anion	cp-
263	CP⁺	carbon monophosphide cation	cp+
264	SiN	Silicon nitride	sin
265	SiN^-	silicon mononitride anion	sin-
266	SiN⁺	silicon mononitride cation	sin+
267	SiP^-	Silicon monophosphide anion	sip-
268	SiP⁺	Silicon monophosphide cation	sip+
269	TiN	Titanium mononitride	tin
270	N₂^-	nitrogen diatomic anion	n2-
271	N₂⁺	diatomic nitrogen cation	n2+
272	PN^-	phosphorus nitride anion	pn-
273	PN⁺	phosphorus nitride cation	pn+
274	P₂	Phosphorus diatomic	p2
275	P₂^-	phosphorus diatomic anion	p2-
276	P₂⁺	phosphorus diatomic cation	p2+
277	AsN	Arsenic mononitride	asn
278	AsP	Arsenic monophosphide	asp
279	SbN	Antimony nitride	sbn
280	As₂	Arsenic diatomic	as2
281	HNB	hydrogen nitrogen boron	hnb
282	HNC	hydrogen isocyanide	hnc
283	HCN^-	Hydrogen cyanide anion	hcn-
284	HCP	Phosphaethyne	hcp
285	NNH	Dinitrogen monohydride	nnh
286	HPO	Hydrogen phosphorus oxide	hpo
287	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
288	CNH₂	Aminomethylidyne radical	cnh2
289	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
290	H₂CN	Dihydrogen cyanide radical	h2cn
291	H₂CN⁺	hydrocyanonium cation	h2cn+
292	HCNH	methyleneazane	hcnh
293	HCNH⁺	N-protonated HCN	hcnh+
294	N₂H₂	(E)-diazene	n2h2
295	N₂H₂	(Z)-Diazene	n2h2z
296	N₂H₂⁺	trans-diazene cation	n2h2+
297	CH₂PH	Phosphaethene	ch3p
298	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
299	N₂H₄	Hydrazine	n2h4
300	N₂H₄⁺	hydrazine cation	n2h4+
301	P₂H₄	Diphosphine	p2h4
302	CH₃NH₂⁺	methyl amine cation	ch3nh2+
303	CH₃PH₂	Methyl phosphine	ch3ph2
304	N₂H₅⁺	protonated hydrazine	n2h5+
305	BH₃NH₃	borane ammonia	bh3nh3
306	CH₃NH₃⁺	protonated methylamine	ch3nh3+
307	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
308	NH₃NH₃	Ammonia Dimer	nh3nh3
309	LiO	lithium oxide	lio
310	LiO^-	lithium oxide anion	lio-
311	LiO⁺	lithium oxide cation	lio+
312	LiS	Lithium monosulfide	lis
313	LiS⁺	Lithium sulfide cation	lis+
314	NaO	sodium monoxide	nao
315	NaO^-	sodium oxide anion	nao-
316	NaO⁺	sodium oxide cation	nao+
317	KO	Potassium monoxide	ko
318	KO⁺	Potassium monoxide cation	ko+
319	NaS	Sodium sulfide	nas
320	CuO	Copper Monoxide	cuo
321	BeO	beryllium oxide	beo
322	BeO^-	Beryllium monoxide anion	beo-
323	BeO⁺	Beryllium monoxide cation	beo+
324	BeS	beryllium sulfide	bes
325	MgO	magnesium oxide	mgo
326	MgO^-	magnesium oxide anion	mgo-
327	MgO⁺	magnesium oxide cation	mgo+
328	MgS	magnesium sulfide	mgs
329	MgS^-	magnesium sulfide anion	mgs-
330	MgS⁺	magnesium sulfide cation	mgs+
331	ZnO	zinc monoxide	zno
332	ZnS	Zinc sulfide	zns
333	BeS^-	Beryllium monosulfide anion	bes-
334	BeS⁺	Beryllium monosulfide cation	bes+
335	AlO	Aluminum monoxide	alo
336	AlO^-	Aluminum monoxide anion	alo-
337	AlO⁺	aluminum monoxide cation	alo+
338	BS	boron sulfide	bs
339	BS^-	boron monosulfide anion	bs-
340	BS⁺	boron monosulfide cation	bs+
341	AlS	Aluminum sulfide	als
342	AlS^-	aluminum monosulfide anion	als-
343	AlS⁺	aluminum monosulfide cation	als+
344	ScO	Scandium monoxide	sco
345	BO⁺	boron monoxide cation	bo+
346	CO^-	carbon monoxide anion	co-
347	CS^-	carbon monosulfide anion	cs-
348	CS⁺	carbon monosulfide cation	cs+
349	SiO^-	silicon monoxide anion	sio-
350	SiO⁺	silicon monoxide cation	sio+
351	SiS^-	silicon monosulfide anion	sis-
352	SiS⁺	silicon monosulfide cation	sis+
353	TiO	Titanium monoxide	tio
354	CSe^-	Carbon monoselenide anion	cse-
355	CSe⁺	Carbon monoselenide cation	cse+
356	GeO⁺	Germanium monoxide cation	geo+
357	GeS	Germanium monosulfide	ges
358	NS	Mononitrogen monosulfide	ns
359	NS^-	nitrogen sulfide anion	ns-
360	NS⁺	nitrogen sulfide cation	ns+
361	PO	Phosphorus monoxide	po
362	PO^-	phosphorus monoxide anion	po-
363	PO⁺	phosphorus monoxide cation	po+
364	PS^-	phosphorus monosulfide anion	ps-
365	PS⁺	phosphorus monosulfide cation	ps+
366	VO	Vanadium monoxide	vo
367	AsO	Arsenic monoxide	aso
368	NSe	Nitrogen monoselenide	nse
369	AsS	Arsenic monosulfide	ass
370	PSe	Phosphorus monoselenide	pse
371	AsSe	Arsenic monoselenide	asse
372	O₂^-	oxygen diatomic anion	o2-
373	O₂⁺	diatomic oxygen cation	o2+
374	SO^-	sulfur monoxide anion	so-
375	S₂^-	sulfur diatomic anion	s2-
376	S₂⁺	sulfur diatomic cation	s2+
377	SeO^-	selenium monoxide anion	seo-
378	SeO⁺	selenium monoxide cation	seo+
379	SeS	Selenium monosulfide	ses
380	SeS^-	selenium monosulfide anion	ses-
381	SeS⁺	selenium monosulfide cation	ses+
382	TeO	Tellurium monoxide	teo
383	Se₂^-	selenium diatomic anion	se2-
384	Se₂⁺	selenium diatomic cation	se2+
385	Te₂	Tellurium diatomic	te2
386	NaOH	sodium hydroxide	naoh
387	KOH	Potassium hydroxide	koh
388	MgOH	magnesium hydroxide	mgoh
389	CaOH	Calcium monohydroxide	caoh
390	COH⁺	Carbon Monoxide, protonated	coh+
391	HCS	Thioformyl radical	hcs
392	HCS^-	Thioformyl anion	hcs-
393	HCS⁺	Thioformyl cation	hcs+
394	HNO^-	Nitrosyl hydride anion	hno-
395	NOH	Hydroxyimidogen	noh
396	NOH⁺	O-protonated nitric oxide	noh+
397	HNS	Sulfur imide	hns
398	HNS^-	Sulfur imide anion	hns-
399	HO₂^-	Hydroperoxy anion	ho2-
400	HO₂⁺	Hydroperoxy cation	ho2+
401	HS₂	Thiosulfeno radical	hs2
402	HOCH	hydroxycarbene	hoch
403	H₂CS⁺	thioformaldehyde cation	h2cs+
404	H₂NO	nitroxide	h2no
405	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
406	H₂S₂	Disulfane	h2s2
407	H₂S₂⁺	hydrogen disulfide cation	h2s2+
408	CH₂OH	Hydroxymethyl radical	ch2oh
409	CH₂OH⁺	hydroxymethyl cation	ch2oh+
410	CH₃O	Methoxy radical	ch3o
411	CH₃O^-	methoxy anion	ch3o-
412	CH₃O⁺	Methoxy cation	ch3o+
413	CH₃S	thiomethoxy	ch3s
414	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
415	NH₃O	Ammonia Oxide	nh3o
416	H₂POH	Phosphinous acid	h2poh
417	H₃PO	Phosphine oxide	h3po
418	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
419	CH₃OH^-	Methyl alcohol anion	ch3oh-
420	CH₃SH	Methanethiol	ch3sh
421	CH₃SH⁺	Methanethiol cation	ch3sh+
422	CH₃SeH	Methane selenol	ch3seh
423	H₂OH₂O	water dimer	h2oh2o
424	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
425	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
426	H₂ONH₃	Water Ammonia Dimer	h2onh3
427	LiCl^-	lithium chloride anion	licl-
428	LiCl⁺	lithium chloride cation	licl+
429	NaF	sodium fluoride	naf
430	NaF^-	sodium fluoride anion	naf-
431	KF	Potassium Fluoride	kf
432	NaCl	Sodium Chloride	nacl
433	NaCl^-	sodium chloride anion	nacl-
434	NaCl⁺	sodium chloride cation	nacl+
435	KCl	Potassium Chloride	kcl
436	CuF	Copper monofluoride	cuf
437	LiBr^-	lithium bromide anion	libr-
438	LiBr⁺	lithium bromide cation	libr+
439	CuCl	Copper monochloride	cucl
440	NaBr	Sodium Bromide	nabr
441	NaBr^-	sodium bromide anion	nabr-
442	NaBr⁺	sodium bromide cation	nabr+
443	KBr	Potassium Bromide	kbr
444	LiI	Lithium Iodide	lii
445	NaI	Sodium Iodide	nai
446	KI	Potassium Iodide	ki
447	LiF^-	lithium fluoride anion	lif-
448	BeF	Beryllium monofluoride	bef
449	BeF^-	Beryllium monofluoride anion	bef-
450	BeF⁺	Beryllium monofluoride cation	bef+
451	BeCl	beryllium monochloride	becl
452	MgF	Magnesium monofluoride	mgf
453	MgF^-	magnesium fluoride anion	mgf-
454	MgF⁺	magnesium fluoride cation	mgf+
455	CaF	Calcium monofluoride	caf
456	MgCl	magnesium monochloride	mgcl
457	MgCl^-	magnesium monochloride anion	mgcl-
458	MgCl⁺	magnesium monochloride cation	mgcl+
459	CaCl	calcium monochloride	cacl
460	TiCl	Titanium Monochloride	ticl
461	ZnF	Zinc monofluoride	znf
462	ZnF^-	Zinc monofluoride anion	znf-
463	ZnF⁺	Zinc monofluoride cation	znf+
464	ZnCl	Zinc monochloride	zncl
465	BeCl^-	beryllium monochloride anion	becl-
466	BeCl⁺	beryllium monochloride cation	becl+
467	BF^-	Boron monofluoride anion	bf-
468	BF⁺	Boron monofluoride cation	bf+
469	AlF^-	Aluminum monofluoride anion	alf-
470	AlF⁺	Aluminum monofluoride cation	alf+
471	BCl	boron monochloride	bcl
472	BCl^-	boron monochloride anion	bcl-
473	BCl⁺	boron monochloride cation	bcl+
474	AlCl	Aluminum monochloride	alcl
475	AlCl^-	aluminum monochloride anion	alcl-
476	AlCl⁺	aluminum monochloride cation	alcl+
477	ScF	Scandium monofluoride	scf
478	BBr	Boron monobromide	bbr
479	GaF⁺	Gallium monofluoride cation	gaf+
480	GaCl⁺	Gallium monochloride cation	gacl+
481	AlI	Aluminum monoiodide	ali
482	CF⁺	carbon monofluoride cation	cf+
483	CCl	carbon monochloride	ccl
484	CCl^-	carbon monochloride anion	ccl-
485	CCl⁺	carbon monochloride cation	ccl+
486	SiF	silicon monofluoride	sif
487	SiF^-	silicon monofluoride anion	sif-
488	SiF⁺	silicon monofluoride cation	sif+
489	SiCl^-	silicon monochloride anion	sicl-
490	SiCl⁺	silicon monochloride cation	sicl+
491	GeF⁺	Germanium monofluoride cation	gef+
492	NF	nitrogen fluoride	nf
493	NF^-	nitrogen monofluorine anion	nf-
494	NF⁺	nitrogen monofluoirde cation	nf+
495	NCl^-	nitrogen monochloride anion	ncl-
496	NCl⁺	nitrogen monochloride cation	ncl+
497	PF	phosphorus monofluoride	pf
498	PF^-	phosphorus monofluoride anion	pf-
499	PF⁺	phosphorus monofluoride cation	pf+
500	PCl	phosphorus chloride	pcl

count

Species

Name

file name

problem

Deuterium atom

D^-

Deuterium atom anion

D⁺

Deuterium atom cation

H^-

Hydrogen atom anion

H⁺

Hydrogen atom cation

D₂

Deuterium diatomic

H₂^-

hydrogen diatomic anion

h2-

H₂⁺

Hydrogen cation

h2+

Deuterium hydride

H₃⁺

hydrogen trimer cation

h3+

He^-

Helium atom anion

he-

HeH

Helium hydride

heh

Li^-

Lithium atom anion

li-

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+

Boron monohydride

BH^-

boron monohydride anion

bh-

BH⁺

boron monohydride cation

bh+

AlH

aluminum monohydride

alh

AlH^-

aluminum monohydride anion

alh-

AlH⁺

aluminum monohydride cation

alh+

ScH

Scandium monohydride

sch

ScH⁺

Scandium monohydride cation

sch+

BH₂

boron dihydride

bh2

BH₂^-

boron dihydride anion

bh2-

BH₂⁺

Boron dihydride cation

bh2+

AlH₂

aluminum dihydride

alh2

AlH₂^-

aluminum dihydride anion

alh2-

AlH₂⁺

aluminum dihydride cation

alh2+

BH₃

boron trihydride

bh3

BH₃^-

boron trihydride anion

bh3-

AlH₃

aluminum trihydride

alh3

AlH₃⁺

aluminum trihydride cation

alh3+

ScH₃

Scandium trihydride

sch3

GaH₃

Gallium trihydride

gah3

BH₄

borohydride

bh4

AlH₄^-

Aluminum tetrahydride anion

alh4-

C^-

Carbon atom anion

Titanium atom

Ti^-

Titanium atom anion

ti-

Ti⁺

Titanium atom cation

ti+

Tin atom

Sn⁺

Tin cation

sn+

CH^-

methylidyne anion

ch-

CH⁺

Methylidyne cation

ch+

SiH^-

silicon monohydride anion

sih-

SiH⁺

silicon monohydride cation

sih+

GeH⁺

Germaniun monohyrdide cation

geh+

CH₂

Methylene

ch2

CH₂⁺

methylene cation

ch2+

SiH₂

silicon dihydride

sih2

SiH₂^-

silicon dihydride anion

sih2-

SiH₂⁺

silicon dihydride cation

sih2+

GeH₂^-

germylene anion

geh2-

CH₃

Methyl radical

ch3

CH₃^-

methyl anion

ch3-

SiH₃^-

Silyl anion

sih3-

CD₄

methane-d4

cd4

CH₂D₂

methane-d2

ch2d2

CH₃D

methane-d

ch3d

CH₄^-

Methane anion

ch4-

100

CH₄⁺

Methane cation

ch4+

101

CHD₃

methane-d3

chd3

102

SiH₄

Silane

sih4

103

SiH₄⁺

Silane cation

sih4+

104

SnH₄

Stannane

snh4

105

N^-

Nitrogen atom anion

106

P^-

Phosphorus atom anion

107

P⁺

Phosphorus atom cation

108

Vanadium atom

109

V⁺

Vanadium atom cation

110

Antimony atom

111

Imidogen

112

NH^-

Imidogen anion

nh-

113

NH⁺

imidogen cation

nh+

114

PH^-

phosphorus monohydride anion

ph-

115

PH⁺

phosphorus monohydride cation

ph+

116

AsH⁺

Arsenic monohydride cation

ash+

117

SbH

Antimony monohydride

sbh

118

ND₂

Amidogen-d2

nd2

119

NH₂^-

amino anion

nh2-

120

PH₂

Phosphino radical

ph2

121

PH₂^-

Phosphino anion

ph2-

122

PH₂⁺

Phosphino cation

ph2+

123

AsH₂

Arsenic dihydride

ash2

124

AsH₂⁺

Arsenic dihydride cation

ash2+

125

ND₃

Ammonia-d3

nd3

126

NH₃^-

Ammonia anion

nh3-

127

NH₃⁺

ammonia cation

nh3+

128

SbH₃

Stibine

sbh3

129

NH₄⁺

ammonium cation

nh4+

130

PH₄⁺

phosphonium cation

ph4+

131

O^-

Oxygen atom anion

132

S^-

Sulfur atom anion

133

S⁺

Sulfur atom cation

134

Chromium atom

135

Tellurium atom

136

Te⁺

Tellurium atom cation

te+

137

Hydroxyl-d

138

OH^-

hydroxide anion

oh-

139

Mercapto-d

140

Mercapto radical

141

CrH⁺

Chromium hydride cation

crh+

142

TeH

Telluryl radical

teh

143

D₂O

Deuterium oxide

d2o

144

D₂S

Hydrogen sulfide-d2

d2s

145

H₂S

Hydrogen sulfide

h2s

146

H₂S^-

Hydrogen sulfide anion

h2s-

147

H₂S⁺

Hydrogen sulfide cation

h2s+

148

H₂Te

Hydrogen Telluride

h2te

149

H₃O⁺

hydronium cation

h3o+

150

F^-

Fluorine atom anion

151

Cl^-

Chlorine atom anion

cl-

152

Manganese atom

153

Iodine atom

iodine

154

I^-

Iodine atom anion

iodine-

155

I⁺

Iodine atom cation

iodine+

156

Hydrofluoric acid-d

157

DCl

Hydrochloric acid-d

dcl

158

Hydrogen iodide

159

HI⁺

Hydrogen iodide cation

hi+

160

H₂F⁺

dihydrogen fluoride cation

h2f+

161

H₂I⁺

Iodonium

h2i+

162

Ne^-

Neon atom anion

ne-

163

Ar^-

Argon atom anion

ar-

164

Ar⁺

Argon atom cation

ar+

165

Iron atom

166

Xenon atom

167

NeH

neon hydrogen

neh

168

NeH⁺

neon hydrogen cation

neh+

169

XeH⁺

Xenon, protonated

xeh+

170

H₂Ar

H2 Ar dimer

h2ar

171

Cobalt atom

cobalt

172

Nickel atom

173

Li₂

Lithium diatomic

li2

174

Li₂^-

lithium diatomic anion

li2-

175

Li₂⁺

lithium diatomic cation

li2+

176

NaLi^-

lithium sodium anion

lina-

177

NaLi⁺

lithium sodium cation

lina+

178

LiK

Lithium Potassium

lik

179

Na₂⁺

sodium diatomic cation

na2+

180

NaK

Sodium Potassium

nak

181

NaK⁺

Sodium Potassium diatomic cation

nak+

182

K₂

Potassium diatomic

183

Cu₂

Copper diatomic

cu2

184

LiBe

Lithium Beryllium

libe

185

LiMg

Lithium magnesium

limg

186

NaBe

Sodium Beryllium

nabe

187

NaMg

Sodium Magnesium

namg

188

Be₂

Beryllium diatomic

be2

189

Be₂^-

Beryllium diatomic anion

be2-

190

Be₂⁺

Beryllium diatomic cation

be2+

191

BeMg

Beryllium Magnesium

bemg

192

Mg₂

Magnesium diatomic

mg2

193

Mg₂^-

magnesium diatomic anion

mg2-

194

Mg₂⁺

magnesium diatomic cation

mg2+

195

Ca₂

Calcium diatomic

ca2

196

LiB

Lithium boride

lib

197

NaAl

Sodium aluminum

naal

198

BeB

Beryllium monoboride

beb

199

B₂

Boron diatomic

200

B₂^-

Boron diatomic anion

b2-

201

B₂⁺

Boron diatomic cation

b2+

202

BAl

Boron Aluminum

bal

203

Al₂

Aluminum diatomic

al2

204

Al₂^-

aluminum diatomic anion

al2-

205

Al₂⁺

aluminum diatomic cation

al2+

206

BGa

Boron Gallium

bga

207

AlGa

Aluminum Gallium

alga

208

Ga₂

Gallium diatomic

ga2

209

LiBH₄

Lithium borohydride

libh4

210

HBHHBH

Diborane(4) C2V

hbhhbh

211

Al₂H₆

dialane

al2h6

212

Ga₂H₆

digallane

ga2h6

213

LiC

Lithium Carbide

lic

214

BeC

Beryllium Carbide

bec

215

boron monocarbide

216

BC^-

boron monocarbide anion

bc-

217

BC⁺

boron monocarbide cation

bc+

218

AlC

Aluminum carbide

alc

219

C₂

Carbon diatomic

220

C₂^-

carbon diatomic anion

c2-

221

C₂⁺

carbon diatomic cation

c2+

222

SiC

silicon monocarbide

sic

223

SiC^-

silicon monocarbide anion

sic-

224

SiC⁺

silicon monocarbide cation

sic+

225

Si₂^-

silcon diatomic anion

si2-

226

Si₂⁺

silcon diatomic cation

si2+

227

Ge₂

Germanium diatomic

ge2

228

C₂H

Ethynyl radical

c2h

229

C₂H⁺

Ethynyl cation

c2h+

230

ZnCH₂

Zinc methylene

znch2

231

CCH₂

vinylidene

232

CuCH₃

monomethyl copper

cuch3

233

ZnCH₃

Zinc monomethyl

znch3

234

CH₂BH

methyleneborane

ch2bh

235

C₂H₃^-

vinyl anion

c2h3-

236

C₂H₄^-

Ethylene anion

c2h4-

237

C₂H₄⁺

Ethylene cation

c2h4+

238

CH₃CH

methylmethylene

ch3ch

239

CH₂SiH₂

silaethylene

ch2sih2

240

CH₃BH₂

methylborane

ch3bh2

241

C₂H₅^-

Ethyl anion

c2h5-

242

C₂H₅⁺

Ethyl cation

c2h5+

243

C₂H₆⁺

ethane cation

c2h6+

244

CH₃SiH₃

methyl silane

ch3sih3

245

GeH₃CH₃

methyl germane

geh3ch3

246

C₂H₇⁺

Ethane, protonated

c2h7+

247

LiN⁺

Lithium Nitride cation

lin+

248

BeN

Beryllium mononitride

ben

249

BeN^-

Beryllium mononitride anion

ben-

250

BeN⁺

Beryllium mononitride cation

ben+

251

BN^-

boron nitride anion

bn-

252

AlN^-

aluminum mononitride anion

aln-

253

AlN⁺

aluminum mononitride cation

aln+

254

Boron monophosphide

255

AlP

Aluminum monophosphide

alp

256

GaN

Gallium mononitride

gan

257

GaP

Gallium monophosphide

gap

258

BN⁺

boron nitride cation

bn+

259

CN^-

cyanide anion

cn-

260

CN⁺

Cyano cation

cn+

261

Carbon monophosphide

262

CP^-

carbon monophosphide anion

cp-

263

CP⁺

carbon monophosphide cation

cp+

264

SiN

Silicon nitride

sin

265

SiN^-

silicon mononitride anion

sin-

266

SiN⁺

silicon mononitride cation

sin+

267

SiP^-

Silicon monophosphide anion

sip-

268

SiP⁺

Silicon monophosphide cation

sip+

269

TiN

Titanium mononitride

tin

270

N₂^-

nitrogen diatomic anion

n2-

271

N₂⁺

diatomic nitrogen cation

n2+

272

PN^-

phosphorus nitride anion

pn-

273

PN⁺

phosphorus nitride cation

pn+

274

P₂

Phosphorus diatomic

275

P₂^-

phosphorus diatomic anion

p2-

276

P₂⁺

phosphorus diatomic cation

p2+

277

AsN

Arsenic mononitride

asn

278

AsP

Arsenic monophosphide

asp

279

SbN

Antimony nitride

sbn

280

As₂

Arsenic diatomic

as2

281

HNB

hydrogen nitrogen boron

hnb

282

HNC

hydrogen isocyanide

hnc

283

HCN^-

Hydrogen cyanide anion

hcn-

284

HCP

Phosphaethyne

hcp

285

NNH

Dinitrogen monohydride

nnh

286

HPO

Hydrogen phosphorus oxide

hpo

287

HPO⁺

Hydrogen phosphorus oxide cation

hpo+

288

CNH₂

Aminomethylidyne radical

cnh2

289

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

290

H₂CN

Dihydrogen cyanide radical

h2cn

291

H₂CN⁺

hydrocyanonium cation

h2cn+

292

HCNH

methyleneazane

hcnh

293

HCNH⁺

N-protonated HCN

hcnh+

294

N₂H₂

(E)-diazene

n2h2

295

N₂H₂

(Z)-Diazene

n2h2z

296

N₂H₂⁺

trans-diazene cation

n2h2+

297

CH₂PH

Phosphaethene

ch3p

298

CH₂NH₂⁺

methyleneamine cation

ch2nh2+

299

N₂H₄

Hydrazine

n2h4

300

N₂H₄⁺

hydrazine cation

n2h4+

301

P₂H₄

Diphosphine

p2h4

302

CH₃NH₂⁺

methyl amine cation

ch3nh2+

303

CH₃PH₂

Methyl phosphine

ch3ph2

304

N₂H₅⁺

protonated hydrazine

n2h5+

305

BH₃NH₃

borane ammonia

bh3nh3

306

CH₃NH₃⁺

protonated methylamine

ch3nh3+

307

CH₃PH₃⁺

methyl phosphine, protonated

ch3ph3+

308

NH₃NH₃

Ammonia Dimer

nh3nh3

309

LiO

lithium oxide

lio

310

LiO^-

lithium oxide anion

lio-

311

LiO⁺

lithium oxide cation

lio+

312

LiS

Lithium monosulfide

lis

313

LiS⁺

Lithium sulfide cation

lis+

314

NaO

sodium monoxide

nao

315

NaO^-

sodium oxide anion

nao-

316

NaO⁺

sodium oxide cation

nao+

317

Potassium monoxide

318

KO⁺

Potassium monoxide cation

ko+

319

NaS

Sodium sulfide

nas

320

CuO

Copper Monoxide

cuo

321

BeO

beryllium oxide

beo

322

BeO^-

Beryllium monoxide anion

beo-

323

BeO⁺

Beryllium monoxide cation

beo+

324

BeS

beryllium sulfide

bes

325

MgO

magnesium oxide

mgo

326

MgO^-

magnesium oxide anion

mgo-

327

MgO⁺

magnesium oxide cation

mgo+

328

MgS

magnesium sulfide

mgs

329

MgS^-

magnesium sulfide anion

mgs-

330

MgS⁺

magnesium sulfide cation

mgs+

331

ZnO

zinc monoxide

zno

332

ZnS

Zinc sulfide

zns

333

BeS^-

Beryllium monosulfide anion

bes-

334

BeS⁺

Beryllium monosulfide cation

bes+

335

AlO

Aluminum monoxide

alo

336

AlO^-

Aluminum monoxide anion

alo-

337

AlO⁺

aluminum monoxide cation

alo+

338

boron sulfide

339

BS^-

boron monosulfide anion

bs-

340

BS⁺

boron monosulfide cation

bs+

341

AlS

Aluminum sulfide

als

342

AlS^-

aluminum monosulfide anion

als-

343

AlS⁺

aluminum monosulfide cation

als+

344

ScO

Scandium monoxide

sco

345

BO⁺

boron monoxide cation

bo+

346

CO^-

carbon monoxide anion

co-

347

CS^-

carbon monosulfide anion

cs-

348

CS⁺

carbon monosulfide cation

cs+

349

SiO^-

silicon monoxide anion

sio-

350

SiO⁺

silicon monoxide cation

sio+

351

SiS^-

silicon monosulfide anion

sis-

352

SiS⁺

silicon monosulfide cation

sis+

353

TiO

Titanium monoxide

tio

354

CSe^-

Carbon monoselenide anion

cse-

355

CSe⁺

Carbon monoselenide cation

cse+

356

GeO⁺

Germanium monoxide cation

geo+

357

GeS

Germanium monosulfide

ges

358

Mononitrogen monosulfide

359

NS^-

nitrogen sulfide anion

ns-

360

NS⁺

nitrogen sulfide cation

ns+

361

Phosphorus monoxide

362

PO^-

phosphorus monoxide anion

po-

363

PO⁺

phosphorus monoxide cation

po+

364

PS^-

phosphorus monosulfide anion

ps-

365

PS⁺

phosphorus monosulfide cation

ps+

366

Vanadium monoxide

367

AsO

Arsenic monoxide

aso

368

NSe

Nitrogen monoselenide

nse

369

AsS

Arsenic monosulfide

ass

370

PSe

Phosphorus monoselenide

pse

371

AsSe

Arsenic monoselenide

asse

372

O₂^-

oxygen diatomic anion

o2-

373

O₂⁺

diatomic oxygen cation

o2+

374

SO^-

sulfur monoxide anion

so-

375

S₂^-

sulfur diatomic anion

s2-

376

S₂⁺

sulfur diatomic cation

s2+

377

SeO^-

selenium monoxide anion

seo-

378

SeO⁺

selenium monoxide cation

seo+

379

SeS

Selenium monosulfide

ses

380

SeS^-

selenium monosulfide anion

ses-

381

SeS⁺

selenium monosulfide cation

ses+

382

TeO

Tellurium monoxide

teo

383

Se₂^-

selenium diatomic anion

se2-

384

Se₂⁺

selenium diatomic cation

se2+

385

Te₂

Tellurium diatomic

te2

386

NaOH

sodium hydroxide

naoh

387

KOH

Potassium hydroxide

koh

388

MgOH

magnesium hydroxide

mgoh

389

CaOH

Calcium monohydroxide

caoh

390

COH⁺

Carbon Monoxide, protonated

coh+

391

HCS

Thioformyl radical

hcs

392

HCS^-

Thioformyl anion

hcs-

393

HCS⁺

Thioformyl cation

hcs+

394

HNO^-

Nitrosyl hydride anion

hno-

395

NOH

Hydroxyimidogen

noh

396

NOH⁺

O-protonated nitric oxide

noh+

397

HNS

Sulfur imide

hns

398

HNS^-

Sulfur imide anion

hns-

399

HO₂^-

Hydroperoxy anion

ho2-

400

HO₂⁺

Hydroperoxy cation

ho2+

401

HS₂

Thiosulfeno radical

hs2

402

HOCH

hydroxycarbene

hoch

403

H₂CS⁺

thioformaldehyde cation

h2cs+

404

H₂NO

nitroxide

h2no

405

H₂O₂⁺

Hydrogen peroxide cation

h2o2+

406

H₂S₂

Disulfane

h2s2

407

H₂S₂⁺

hydrogen disulfide cation

h2s2+

408

CH₂OH

Hydroxymethyl radical

ch2oh

409

CH₂OH⁺

hydroxymethyl cation

ch2oh+

410

CH₃O

Methoxy radical

ch3o

411

CH₃O^-

methoxy anion

ch3o-

412

CH₃O⁺

Methoxy cation

ch3o+

413

CH₃S

thiomethoxy

ch3s

414

H₂CSH⁺

Thioformaldehyde, protonated

h2csh+

415

NH₃O

Ammonia Oxide

nh3o

416

H₂POH

Phosphinous acid

h2poh

417

H₃PO

Phosphine oxide

h3po

418

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

419

CH₃OH^-

Methyl alcohol anion

ch3oh-

420

CH₃SH

Methanethiol

ch3sh

421

CH₃SH⁺

Methanethiol cation

ch3sh+

422

CH₃SeH

Methane selenol

ch3seh

423

H₂OH₂O

water dimer

h2oh2o

424

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

425

CH₃SH₂⁺

protonated methylsulfide

ch3sh2+

426

H₂ONH₃

Water Ammonia Dimer

h2onh3

427

LiCl^-

lithium chloride anion

licl-

428

LiCl⁺

lithium chloride cation

licl+

429

NaF

sodium fluoride

naf

430

NaF^-

sodium fluoride anion

naf-

431

Potassium Fluoride

432

NaCl

Sodium Chloride

nacl

433

NaCl^-

sodium chloride anion

nacl-

434

NaCl⁺

sodium chloride cation

nacl+

435

KCl

Potassium Chloride

kcl

436

CuF

Copper monofluoride

cuf

437

LiBr^-

lithium bromide anion

libr-

438

LiBr⁺

lithium bromide cation

libr+

439

CuCl

Copper monochloride

cucl

440

NaBr

Sodium Bromide

nabr

441

NaBr^-

sodium bromide anion

nabr-

442

NaBr⁺

sodium bromide cation

nabr+

443

KBr

Potassium Bromide

kbr

444

LiI

Lithium Iodide

lii

445

NaI

Sodium Iodide

nai

446

Potassium Iodide

447

LiF^-

lithium fluoride anion

lif-

448

BeF

Beryllium monofluoride

bef

449

BeF^-

Beryllium monofluoride anion

bef-

450

BeF⁺

Beryllium monofluoride cation

bef+

451

BeCl

beryllium monochloride

becl

452

MgF

Magnesium monofluoride

mgf

453

MgF^-

magnesium fluoride anion

mgf-

454

MgF⁺

magnesium fluoride cation

mgf+

455

CaF

Calcium monofluoride

caf

456

MgCl

magnesium monochloride

mgcl

457

MgCl^-

magnesium monochloride anion

mgcl-

458

MgCl⁺

magnesium monochloride cation

mgcl+

459

CaCl

calcium monochloride

cacl

460

TiCl

Titanium Monochloride

ticl

461

ZnF

Zinc monofluoride

znf

462

ZnF^-

Zinc monofluoride anion

znf-

463

ZnF⁺

Zinc monofluoride cation

znf+

464

ZnCl

Zinc monochloride

zncl

465

BeCl^-

beryllium monochloride anion

becl-

466

BeCl⁺

beryllium monochloride cation

becl+

467

BF^-

Boron monofluoride anion

bf-

468

BF⁺

Boron monofluoride cation

bf+

469

AlF^-

Aluminum monofluoride anion

alf-

470

AlF⁺

Aluminum monofluoride cation

alf+

471

BCl

boron monochloride

bcl

472

BCl^-

boron monochloride anion

bcl-

473

BCl⁺

boron monochloride cation

bcl+

474

AlCl

Aluminum monochloride

alcl

475

AlCl^-

aluminum monochloride anion

alcl-

476

AlCl⁺

aluminum monochloride cation

alcl+

477

ScF

Scandium monofluoride

scf

478

BBr

Boron monobromide

bbr

479

GaF⁺

Gallium monofluoride cation

gaf+

480

GaCl⁺

Gallium monochloride cation

gacl+

481

AlI

Aluminum monoiodide

ali

482

CF⁺

carbon monofluoride cation

cf+

483

CCl

carbon monochloride

ccl

484

CCl^-

carbon monochloride anion

ccl-

485

CCl⁺

carbon monochloride cation

ccl+

486

SiF

silicon monofluoride

sif

487

SiF^-

silicon monofluoride anion

sif-

488

SiF⁺

silicon monofluoride cation

sif+

489

SiCl^-

silicon monochloride anion

sicl-

490

SiCl⁺

silicon monochloride cation

sicl+

491

GeF⁺

Germanium monofluoride cation

gef+

492

nitrogen fluoride

493

NF^-

nitrogen monofluorine anion

nf-

494

NF⁺

nitrogen monofluoirde cation

nf+

495

NCl^-

nitrogen monochloride anion

ncl-

496

NCl⁺

nitrogen monochloride cation

ncl+

497

phosphorus monofluoride

498

PF^-

phosphorus monofluoride anion

pf-

499

PF⁺

phosphorus monofluoride cation

pf+

500

PCl

phosphorus chloride

pcl

501

PCl^-

phosphorus monochloride anion

pcl-

502

PCl⁺

phosphorus monochloride cation

pcl+

503

AsF

Arsenic monofluoride

asf

504

NBr

nitrogen monobromide

nbr

505

AsCl

Arsenic monochloride

ascl

506

SbF

Antimony monofluoride

sbf

507

SbCl

Antimony monochloride

sbcl

508

Oxygen monofluoride

509

FO^-

flourine oxide anion

fo-

510

FO⁺

fluorine monoxide cation

fo+

511

ClO^-

chlorine monoxide anion

clo-

512

SF^-

sulfur monofluoride anion

sf-

513

SCl

sulfur monochloride

scl

514

SCl^-

sulfur monochloride anion

scl-

515

BrO^-

Bromine monoxide anion

bro-

516

SeF

Selenium monofluoride

sef

517

SeCl

Selenium monochloride

secl

518

Iodine monoxide

519

F₂^-

flourine diatomic anion

f2-

520

ClF^-

clorine monofluoride anion

clf-

521

Cl₂^-

chlorine diatomic anion

cl2-

522

BrF^-

bromine fluoride anion

brf-

523

BrF⁺

bromine fluoride cation

brf+

524

BrCl^-

bromine chloride anion

brcl-

525

BrCl⁺

bromine chloride cation

brcl+

526

Iodine monofluoride

527

ICl

Iodine monochloride

icl

528

IBr

Iodine monobromide

ibr

529

I₂

Iodine diatomic

530

I₂⁺

Iodine diatomic cation

i2+

531

HCCl

Chloromethylene

hccl

532

CHBr

bromomethylene

chbr

533

DOCl

Hypochlorous acid-d

docl

534

HOBr

Hypobromous acid

hobr

535

HOBr⁺

Hypobromous acid cation

hobr+

536

HOI

Hypoiodous acid

hoi

537

FHF

Hydrogen difluoride

fhf

538

FHF^-

Hydrogen difluoride anion

fhf-

539

NH₂F

monofluoroamine

nh2f

540

H₂F₂

Hydrogen fluoride dimer

h2f2

541

CD₃F

methylfluoride-d3

cd3f

542

CH₃F

Methyl fluoride

ch3f

543

CD₃Cl

methyl chloride d3

cd3cl

544

CH₃Cl⁺

Methyl chloride cation

ch3cl+

545

SiH₃Br

bromosilane

sih3br

546

CH₃I

methyl iodide

ch3i

547

SiH₃I

Silyl Iodide

sih3i

548

Ne₂

Neon diatomic

ne2

549

Ne₂⁺

Neon diatomic cation

ne2+

550

Ar₂⁺

Argon diatomic cation

ar2+

551

Li₃

Lithium trimer

li3

552

Li₃⁺

Lithium trimer cation

li3+

553

C₃⁺

carbon trimer cation

c3+

554

C₃H₃

cyclopropenyl radical

cpr

555

C₃H₃

Propargyl radical

propargyl

556

C₃H₃^-

Propargyl anion

c3h3-

557

C₃H₃⁺

cyclopropenyl cation

cpr+

558

C₃H₃⁺

Propargyl cation

c3h3+

559

C₃H₅⁺

Allyl cation

allyl+

560

CH₃CHCH

1-propenyl radical

ch3chch

561

Zn(CH₃)₂

dimethyl zinc

dmz

562

C₃H₇⁺

cyclopropane, protonated

c3h7+

563

CH₃CHCH₃⁺

Isopropyl cation

prop2yl+

564

SiH₂(CH₃)₂

dimethylsilane

dms

565

LiCN

lithium cyanide

licn

566

NaCN

Sodium Cyanide

nacn

567

KCN

Potassium cyanide

kcn

568

CuCN

Copper cyanide

cucn

569

CN₂

3H-Diazirin-3-ylidene

cn2

570

NCN

Cyanoimidogen

ncn

571

N₃

azide radical

572

N₃^-

azide anion

n3-

573

N₃⁺

azide cation

n3+

574

HCCN

cyanomethylene

hccn

575

HCNN

diazomethyl radical

hcnn

576

CH₂N₂

diazirine

ch2n2

577

CH₂NN

diazomethane

ch2nn

578

NH₂CN

cyanamide

579

CH₃CN⁺

Acetonitrile cation

ch3cn+

580

CH₃NC

methyl isocyanide

ch3nc

581

HNCNH₂⁺

diiminomethane, protonated

hncnh2+

582

NCNH₃⁺

Cyanamide, protonated

ncnh3+

583

CH₂CHNH

vinylazine

ch2chnh

584

CH₃CHN

methylmethaniminyl radical

ch3chn

585

NHCHNH₂

aminomethanimine

cn2h4

586

C₂H₅N

Aziridine

c2h5n

587

CH₂CHNH₂

aminoethene

588

CH₂NCH₃

N-methylmethanimine

nmm

589

CH₃CHNH

ethanimine

590

NH₂BHNH₂

diaminoborane

nh2bhnh2

591

C₂H₅NH⁺

Protonated Aziridine

c2h5nh+

592

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

593

CH₃NHCH₃

Dimethylamine

ch3nhch3

594

CH₃PHCH₃

dimethylphosphine

ch3phch3

595

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

596

(CH₃)₂NH₂⁺

dimethylammonium cation

dmam

597

CH₃CH₂NH₃⁺

ethylamine, protonated

pea

598

Li₂O

dilithium oxide

li2o

599

Li₂O⁺

dilithium oxide cation

li2o+

600

Li₂S

dilithium sulfide

li2s

601

Na₂O

disodium monoxide

na2o

602

CCO

Dicarbon monoxide

cco

603

CNO^-

fulminate

cno-

604

NCO^-

cyanate

nco-

605

SCN

thiocyanato radical

scn

606

SCN^-

thiocyanide anion

scn-

607

BO₂

Boron dioxide

bo2

608

BO₂^-

Boron dioxide anion

bo2-

609

BO₂⁺

Boron dioxide cation

bo2+

610

N₂O^-

Nitrous oxide anion

n2o-

611

N₂O⁺

Nitrous oxide cation

n2o+

612

NNS

Nitrogen sulfide

nns

613

PPO

Phosphorus oxide phosphide

ppo

614

CO₂^-

Carbon dioxide anion

co2-

615

CO₂⁺

Carbon dioxide cation

co2+

616

OCS⁺

Carbonyl sulfide cation

cos+

617

SiO₂

silicon dioxide

sio2

618

CS₂^-

Carbon disulfide anion

cs2-

619

CS₂⁺

Carbon disulfide cation

cs2+

620

TiO₂

Titanium dioxide

tio2

621

SiS₂

Silicon disulfide

sis2

622

GeS₂

Germanium disulfide

ges2

623

CSe₂

Carbon diselenide

cse2

624

SCTe

Carbon sulfide Telluride

scte

625

NO₂

Nitrogen dioxide

no2

626

NO₂^-

Nitrogen dioxide anion

no2-

627

NO₂⁺

Nitrogen dioxide cation

no2+

628

PO₂

Phosphorus dioxide

po2

629

PO₂^-

Phosphorus dioxide anion

po2-

630

PO₂⁺

Phosphorus dioxide cation

po2+

631

AsO₂

Aresenic dioxide

aso2

632

O₃

Ozone

633

O₃^-

Ozone anion

o3-

634

O₃⁺

Ozone cation

o3+

635

SO₂^-

Sulfur dioxide anion

so2-

636

SO₂⁺

Sulfur dioxide cation

so2+

637

S₃^-

Sulfur trimer anion

s3-

638

S₃⁺

Sulfur trimer cation

s3+

639

SeO₂⁺

Selenium dioxide cation

seo2+

640

TeO₂

Tellurium Dioxide

teo2

641

CS₂H⁺

Carbon disulfide, protonated

cs2h+

642

HNCO

Isocyanic acid

hnco

643

HOCN

cyanic acid

hocn

644

HCO₂^-

formate anion

hco2-

645

HNNO

nitrosoazane

hnno

646

HNNO⁺

Nitrous oxide, N-protonated

hnno+

647

NNOH⁺

Nitrous Oxide, O-protonated

nnoh+

648

HCOO

formate neutral radical

hcoo

649

HOCO⁺

Hydrocarboxyl cation

hoco+

650

HNO₂

Nitrous acid

hno2

651

HNO₂⁺

nitrous acid cation

hno2+

652

SO₂H⁺

protonated sulfur dioxide

so2h+

653

CH₂CO⁺

Ketene cation

ch2co+

654

HCCOH

ethynol

hccoh

655

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

656

NH₂NO

Nitrosamide

nh2no

657

CH₂O₂

Dioxirane

diox

658

H₂COO

Dioxymethyl radical

h2coo

659

H₂COO⁺

dioxymethyl cation

h2coo+

660

H₂O₃

Hydrogen trioxide

h2o3

661

HSSSH

trisulfane

hsssh

662

NaOCH₃

Sodium methoxide

naoch3

663

CH₂BOH

hydroxy(methylene)borane

ch2boh

664

CH₃BO

Borane, methyloxo-

ch3bo

665

CH₂CHO

Vinyloxy radical

ch2cho

666

CH₃CO^-

Acetyl anion

ch3co-

667

CH₃CO⁺

acetyl cation

ch3co+

668

CH₂NOH

formaldoxime

ch2noh

669

CH₃NO

nitrosomethane

ch3no

670

CHONH₂

formamide

671

CNOH₃

1,2-oxaziridine

cnoh3

672

CH₂OOH

CH2OOH radical

ch2ooh

673

CH₃OO

methylperoxy radical

ch3oo

674

CH₃OO^-

methylperoxy anion

ch3oo-

675

CH₃OO⁺

methylperoxy cation

ch3oo+

676

CH₂CHOH

ethenol

ch2choh

677

H₂CONH₂⁺

protonated formamide

h2conh2+

678

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

679

CH₂(OH)₂

methanediol

ch2o2h2

680

CH₃OOH

Methyl peroxide

ch3ooh

681

H₂OH₂CO

water formaldehyde dimer

h2oh2co

682

CH₂CH₂OH

2-hydroxy ethyl radical

ch2ch2oh

683

CH₃CH₂O

Ethoxy radical

ethoxy

684

CH₃CHOH

1-hydroxy-ethyl radical

ch3choh

685

CH₃CHOH⁺

acetaldehyde, protonated

ch3choh+

686

CH₃OCH₂

methoxymethyl radical

ch3och2

687

CH₃CH₂OH

Ethanol

etoh

688

CH₃OCH₃

Dimethyl ether

meome

689

CH₃SeCH₃

dimethylselenide

dmse

690

CH₃OHH₂O

methanol water dimer

ch3ohh2o

691

H₂OCH₃OH

water methanol dimer

h2och3oh

692

CuF₂

Copper difluoride

cuf2

693

ZnF₂

Zinc difluoride

znf2

694

CNF

iso cyanogen fluoride

cnf

695

FCN

Cyanogen fluoride

fcn

696

ClCN

chlorocyanogen

clcn

697

ICN

Cyanogen iodide

icn

698

BeF₂

Beryllium fluoride

bef2

699

MgF₂

Magnesium fluoride

mgf2

700

BeCl₂

Beryllium chloride

becl2

701

MgCl₂

Magnesium dichloride

mgcl2

702

CaCl₂

Calcium Chloride

cacl2

703

ZnCl₂

Zinc dichloride

zncl2

704

CaF₂

Calcium difluoride

caf2

705

FCO

Carbonyl fluoride

fco

706

FCO⁺

Carbonyl fluoride cation

fco+

707

ClCO

carbonyl monochloride

clco

708

FNS

Thionitrosyl fluoride

fns

709

BrNO

Nitrosyl bromide

brno

710

INO

Nitrosyl iodide

ino

711

CF₂^-

Difluoromethylene anion

cf2-

712

CF₂⁺

Difluoromethylene cation

cf2+

713

CFCl

chlorofluoromethylene

cfcl

714

SiF₂⁺

Silicon difluoride cation

sif2+

715

CCl₂

dichloromethylene

ccl2

716

CCl₂^-

dichloromethylene anion

ccl2-

717

CCl₂⁺

dichloromethylene cation

ccl2+

718

SiCl₂

Dichlorosilylene

sicl2

719

GeF₂

Germanium difluoride

gef2

720

CBr₂

dibromomethylene

cbr2

721

FOO

Dioxygen monofluoride radical

foo

722

ClOO

chloroperoxy radical

cloo

723

ClOO⁺

chloroperoxy cation

cloo+

724

OClO⁺

Chlorine dioxide cation

oclo+

725

ClSO

Sulfur chloride oxide

clso

726

ClS₂

Sulfur chloride

cls2

727

OBrO

Bromine dioxide radical

obro

728

NF₂

Difluoroamino radical

nf2

729

NF₂⁺

Difluoroamino cation

nf2+

730

FClO

chlorosyl fluoride

fclo

731

F₂O

Difluorine monoxide

f2o

732

ClOF

Chlorine hypofluorite

clof

733

SF₂^-

sulfur difluoride anion

sf2-

734

SF₂⁺

sulfur difluoride cation

sf2+

735

Cl₂O

Dichlorine monoxide

cl2o

736

SCl₂

Sulfur dichloride

scl2

737

BrOCl

Bromine hypochlorite

brocl

738

BrOBr

Bromine oxide

brobr

739

F₃^-

trifluoride anion

f3-

740

Cl₃^-

trichloride anion

cl3-

741

I₃^-

triiodide

i3-

742

HCCF⁺

fluoroacetylene cation

hccf+

743

HCCCl

Chloroacetylene

hcccl

744

HCCBr

bromoacetylene

hccbr

745

HFCO

formyl fluoride

hfco

746

HFCO⁺

formyl fluoride cation

hfco+

747

COHCl

Formyl chloride

cohcl

748

COHBr

Formyl bromide

cohbr

749

BHF₂

Difluoroborane

bhf2

750

BHCl₂

Borane, dichloro-

bhcl2

751

CHCl₂

dichloromethyl radical

chcl2

752

HOClO

Chlorous acid

hoclo

753

CH₂FCl

fluorochloromethane

ch2fcl

754

CH₂BrF

Methane, bromofluoro-

ch2fbr

755

CH₂FI

fluoroiodomethane

ch2fi

756

CH₂ClI

chloroiodomethane

ch2cli

757

CH₂BrI

bromoiodomethane

ch2bri

758

CH₂I₂

Diiodomethane

ch2i2

759

SiH₂Cl₂

dichlorosilane

sih2cl2

760

CH₂CHF⁺

fluoroethene cation

ch2chf+

761

C₂H₃Cl

Ethene, chloro-

ch2chcl

762

C₂H₃Br

vinyl bromide

c2h3br

763

C₂H₃I

Vinyl iodide

c2h3i

764

CH₃OCl

methyl hypochlorite

ch3ocl

765

CH₂CH₂Cl

2-chloroethyl radical

ch2ch2cl

766

CHClCH₃

1-chloroethyl radical

chclch3

767

C₂H₅F

fluoroethane

c2h5f

768

CH₃CH₂Cl

Ethyl chloride

c2h5cl

769

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

770

C₂H₅I

Ethyl iodide

c2h5i

771

KrF₂

Krypton difluoride

krf2

772

XeF₂

Xenon difluoride

xef2

773

B₄H₁₀

Tetraborane(10)

b4h10

774

C₄⁺

Carbon tetramer cation

c4+

775

C₄H₂

Diacetylene

c4h2

776

C₂H₃CCH

1-Buten-3-yne

c2h3cch

777

C₄H₄

cyclobutadiene

cbd

778

H₂CCCCH₂

Butatriene

h2cccch2

779

C₄H₆

Cyclobutene

c822355

780

C₄H₆

Methylenecyclopropane

c6142730

781

CH₂CCHCH₃

1,2-Butadiene

butad12

782

CH₂CHCHCH₂

1,3-Butadiene

c106990

783

CH₃CCCH₃

2-Butyne

c503173

784

CHCCH₂CH₃

1-Butyne

c107006

785

CH₃CHCHCH₂

methylallyl radical

c4h7

786

C₄H₈

methylcyclopropane

mcp

787

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

788

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

789

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

790

B(CH₃)₃

trimethylborane

bme3

791

Al(CH₃)₃

trimethyl aluminum

tma

792

C(CH₃)₃

Tert-butyl radical

tbutyl

793

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

794

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

795

CH₃CH(CH₃)CH₃

Isobutane

isobutane

796

SiH(CH₃)₃

trimethylsilane

trimsi

797

Li₃N

trilithium nitride

li3n

798

C₂N₂

Cyanogen

c2n2

799

C₂N₂⁺

Cyanogen cation

c2n2+

800

P₄

Phosphorus tetramer

801

HCCCN

Cyanoacetylene

hcccn

802

HCCCN⁺

Cyanoacetylene cation

hcccn+

803

C₃H₃N

acrylonitrile

ch2chcn

804

C₃H₃N⁺

acrylonitrile cation

ch2chcn+

805

CH₃N₃

methyl azide

ch3n3

806

NH₂CCNH₂

Diaminoacetylene

daa

807

NH₂CH₂CN

Aminoacetonitrile

aan

808

CH₃NHN₂⁺

methyl azide, protonated

ch3nhn2+

809

CH₅N₃

Guanidine

guanidine

810

C₄H₆

Bicyclo[1.1.0]butane

c157335

811

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

812

CH₆N₃⁺

guanidinium

ch6n3+

813

C₃H₇N

Cyclopropylamine

cpram

814

CH₇N₃

triaminomethane

tam

815

C₃H₇N

Azetidine

azet

816

C₄H₈

cyclobutane

cbutane

817

C₂H₈N₂

Ethylenediamine

ethdiam

818

CH₃NHNHCH₃

dimethyl hydrazine

dmh

819

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

820

N(CH₃)₃

Trimethylamine

trimeam

821

NH₂CH₂CH₂CH₃

1-Propanamine

pram1

822

P(CH₃)₃

trimethylphosphine

tmp

823

As(CH₃)₃

trimethyl arsine

tmas

824

(CH₃)₃NH⁺

protonated trimethyl amine

ptma

825

C₃H₇NH₃⁺

n-propylamine, protonated

c3h7nh2

826

Li₂O₂

dilithium dioxide

li2o2

827

K₂O₂

dipotassium dioxide

k2o2

828

C₃O

Tricarbon monoxide

c3o

829

B₂O₂

Diboron dioxide

b2o2

830

S₂N₂

Disulfur dinitride

s2n2

831

CO₃

Carbon trioxide

co3

832

CO₃^--

carbonate

co3--

833

NO₃

Nitrogen trioxide

no3

834

NO₃^-

nitrate anion

no3-

835

NO₃⁺

nitrogen trioxide cation

no3+

836

SO₃^-

Sulfur trioxide anion

so3-

837

SO₃⁺

Sulfur trioxide cation

so3+

838

SeO₃

selenium trioxide

seo3

839

TeO₃

Tellurium trioxide

teo3

840

HCO₃^-

bicarbonate anion

hco3-

841

HSO₃

Hydroxysulfonyl radical

hso3

842

NH₂NO₂

nitramide

nh2no2

843

C₂H₂CO

cyclopropenone

c2h2co

844

HCCCHO

2-propynal

hcccho

845

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

846

H₂CO₃

Carbonic acid

h2co3

847

H₂CS₃

thiocarbonic acid

h2cs3

848

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

849

H₂SO₃

Sulfurous acid

h2so3

850

C₂H₃NO

Nitrosoethylene

c2h3no

851

CH₃COO^-

acetate anion

ch3coo-

852

CH₃ONO

Methyl nitrite

ch3ono

853

NH₂COOH

Carbamic acid

nh2cooh

854

H₃BO₃

Boric acid

h3bo3

855

H₃CO₃⁺

carbonic acid, protonated

h3co3+

856

C₃H₄O

2-Propyn-1-ol

c107197

857

C₃H₄O

allenol

c9000071

858

C₃H₄O

Cyclopropanone

cpone

859

C₃H₄O

Methylketene

c6004440

860

NH₂CONH₂

Urea

urea

861

NH₂CONH₂⁺

Urea cation

urea+

862

NH₂CSNH₂

Thiourea

thiourea

863

C₂H₄O₂

1,3-dioxetane

c2h4o2

864

CH₃COOH

Acetic acid

ch3cooh

865

CH₃OCHO

methyl formate

ch3ocho

866

CHOCH₂OH

hydroxy acetaldehyde

haa

867

NH₂COOH₂⁺

Carbamic acid, O-protonated

nh2cooh2+

868

NH₃COOH⁺

protonated Carbamic acid

nh3cooh+

869

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

870

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

871

HCOOHH₂O

Formic acid water dimer

hcoohh2o

872

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

873

CH₃COCH₂

Acetonyl radical

ch3coch2

874

CH₃CHNOH

Acetaldoxime

acetaldoxime

875

CH₃CONH₂

Acetamide

acetamide

876

HCONHCH₃

N-methylformamide

nmfa

877

CH₅N₂O⁺

urea, N-protonated

ch4n2o+

878

H₂NCOHNH₂⁺

urea, protonated

ureah+

879

C₂H₅OO

ethylperoxy radical

c2h5oo

880

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

881

C₃H₅OH

Cyclopropanol

cproh

882

C₃H₆O

2-Propen-1-ol

c107186

883

C₃H₆O

Acetone enol

enol

884

C₃H₆O

Oxetane

oxetane

885

C₃H₆O

Propylene oxide

prox

886

CH₃COCH₃

Acetone

acetone

887

CH₃COCH₃^-

acetone anion

ch3coch3-

888

C₃H₆S

Thietane

thietane

889

C₃H₆S

Thiirane, methyl-

methiirane

890

CH₃CSCH₃

Thioacetone

ch3csch3

891

C₂H₆O₂

1,2-Ethanediol

ethdiol

892

CH₃OOCH₃

dimethylperoxide

dmp

893

CH₃SOCH₃

Dimethyl sulfoxide

dmso

894

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

895

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

896

HOCH₂CH₂NH₂

monoethanolamine

mea

897

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

898

CH₃OC₂H₅

Ethane, methoxy-

etome

899

C₃H₇SH

1-Propanethiol

prsh

900

CH₃CHSHCH₃

2-Propanethiol

isoprsh

901

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

902

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

903

Na₂F₂

Sodium Fluoride Dimer

na2f2

904

Na₂Cl₂

Disodium dichloride

na2cl2

905

C₂F₂

difluoroacetylene

c2f2

906

C₂Cl₂

dichloroacetylene

c2cl2

907

C₂Cl₂⁺

dichloroacetylene cation

c2cl2+

908

FNO₂

Nitryl fluoride

fno2

909

FONO

Nitrosyl hypofluorite

fono

910

ClNO₂

Nitryl chloride

clno2

911

ClONO

chlorine nitrite

clono

912

BrONO

Bromine nitrite

brono

913

N₂F₂

(Z)-Difluorodiazene

n2f2_z

914

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

915

COFCl

Carbonic chloride fluoride

cofcl

916

CCl₂O

Phosgene

cl2co

917

Cl₂CS

Thiophosgene

cl2cs

918

COBr₂

Carbonic dibromide

cobr2

919

BF₃^-

Borane, trifluoro- anion

bf3-

920

AlF₂Cl

Aluminum chloride difluoride

alclf2

921

ScF₃

Scandium trifluoride

ScF3

922

AlFCl₂

Aluminum dichloride fluoride

alcl2f

923

AlCl₃

Aluminum trichloride

alcl3

924

BBr₃

Boron tribromide

bbr3

925

AlBr₃

Aluminum Bromide

albr3

926

ClO₃

Chlorine trioxide

clo3

927

ClO₃^-

chlorate anion

clo3-

928

BrO₃^-

Bromate anion

bro3-

929

CF₃

Trifluoromethyl radical

cf3

930

CF₃^-

Trifluoromethyl anion

cf3-

931

CF₃⁺

Trifluoromethyl cation

cf3+

932

SiF₃

Silicon trifluoride radical

sif3

933

SiF₃⁺

Silicon trifluoride cation

sif3+

934

CCl₃

Trichloromethyl radical

ccl3

935

CCl₃^-

Trichloromethyl anion

ccl3-

936

CCl₃⁺

Trichloromethyl cation

ccl3+

937

SiCl₃

trichlorosilyl radical

sicl3

938

SiCl₃⁺

trichlorosilyl cation

sicl3+

939

FOOF

Perfluoroperoxide

foof

940

ClO₂F

Chloryl fluoride

clo2f

941

F₂SO

Thionyl Fluoride

f2so

942

ClOOCl

Dichlorine dioxide

cloocl

943

FSSF

Difluorodisulfane

fssf

944

S₂F₂

Thio-thionyl fluoride

s2f2

945

SOCl₂

thionyl chloride

socl2

946

SeOCl₂

selenium oxychloride

seocl2

947

NF₃^-

Nitrogen trifluoride anion

nf3-

948

NF₃⁺

Nitrogen trifluoride cation

nf3+

949

PF₃

Phosphorus trifluoride

pf3

950

AsF₃

Arsenic trifluoride

asf3

951

PCl₃

Phosphorus trichloride

pcl3

952

SbF₃

Antimony Trifluoride

sbf3

953

AsCl₃

Arsenous trichloride

ascl3

954

SbCl₃

Antimony Trichloride

sbcl3

955

PBr₃

Phosphorus tribromide

pbr3

956

AsBr₃

Arsenic tribromide

asbr3

957

NI₃

Nitrogen triiodide

ni3

958

PI₃

Phosphorus triiodide

pi3

959

ClSSCl

Disulfur dichloride

s2cl2

960

SF₃

Sulfur trifluoride

sf3

961

ClF₃

Chlorine trifluoride

clf3

962

BrF₃

Bromine trifluoride

brf3

963

IF₃

iodone trifluoride

if3

964

CHF₂Cl

difluorochloromethane

chf2cl

965

CHFCl₂

fluorodichloromethane

chfcl2

966

CDCl₃

trichloromethane-d

cdcl3

967

CHCl₃

Chloroform

chcl3

968

SiHCl₃

Trichlorosilane

sihcl3

969

CHFClBr

fluorochlorobromomethane

chfclbr

970

CHF₂I

difluoroiodomethane

chf2i

971

CHFClI

fluorochloroiodomethane

chfcli

972

CHCl₂I

dichloroiodomethane

chcl2i

973

CHClBr₂

Methane, dibromochloro-

chclbr2

974

CHBr₃

bromoform

chbr3

975

CHI₃

Iodoform

chi3

976

NF₃H⁺

protonated nitrogen trifluoride

nf3h+

977

C₂H₂F₂

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

c2h2f2e

978

C₂H₂F₂

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

c2h2f2z

979

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

980

C₂H₂ClF

1-chloro-1-fluoroethylene

c2h2clf

981

CHFCHCl

(E)-1-chloro-2-fluoroethene

chfchcle

982

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

chfchclz

983

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

984

CHClCHCl

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

chclchcle

985

CHClCHCl

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

chclchclz

986

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

987

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

988

CH₃COF

Acetyl fluoride

ch3cof

989

CH₂ClCHO

chloroacetaldehyde

ch2clcho

990

CH₃COCl

Acetyl Chloride

ch3cocl

991

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

ch2fch2cl

992

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

993

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

994

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

995

CH₂CFCH₃

2-fluoropropene

2fpro

996

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

997

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

998

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

999

CH₂ClCH₂OH

2-Chloroethanol

ch2clch2oh

1000

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

ch2clch2oh2+

1001

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

1002

CH₃CHClCH₃

Propane, 2-chloro-

prcl2

1003

CH₃CH₂CH₂Br

n-propyl bromide

prbr

1004

CH₃CHBrCH₃

i-propyl bromide

iprbr

1005

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

1006

C₅H₅

cyclopentadienyl radical

c5h5

1007

C₅H₅^-

cylopentadienyl anion

c5h5-

1008

C₅H₆

1,3-Cyclopentadiene

c542927

1009

C₅H₆

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

c78808

1010

C₅H₆

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

c2004695

1011

C₅H₆

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

c1574409

1012

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

1013

C₅H₆

Cyclopropylacetylene

c6746947

1014

C₅H₆

Propellane

propellane

1015

C₅H₇

1,3-pentadienyl radical

pdyl

1016

C₅H₇

cyclopentenyl radical

cpyl

1017

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

1018

C₅H₈

1,2-Pentadiene

c591957

1019

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

1020

C₅H₈

1,3-Pentadiene, (E)-

c2004708

1021

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

1022

C₅H₈

1,4-Pentadiene

c591935

1023

C₅H₈

1-pentyne

a1pentyne

1024

C₅H₈

2,3-Pentadiene

c591968

1025

C₅H₈

Cyclobutane, methylene-

c1120565

1026

C₅H₈

Cyclopentene

c142290

1027

C₅H₈

Ethenylcyclopropane

c693867

1028

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

1029

C₅H₁₀

1-Butene, 2-methyl-

c563462

1030

C₅H₁₀

2-Butene, 2-methyl-

c513359

1031

C₅H₁₀

2-Pentene, (E)-

c646048

1032

C₅H₁₀

2-Pentene, (Z)-

c627203

1033

C₅H₁₀

Cyclopentane

c287923

1034

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

1035

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

1036

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

1037

C₅H₁₂

Butane, 2-methyl-

buta2

1038

C₅H₁₂

Pentane

pentane

1039

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

1040

Si(CH₃)₄

tetramethylsilane

tms

1041

N₂O₃

Dinitrogen trioxide

n2o3

1042

C₃H₂N₂

Malononitrile

c3h2n2

1043

CH₂N₄

1H-Tetrazole

1htz

1044

C₃H₃N₂

imidazolyl radical

1045

C₃H₃N₂^-

imidizolyl anion

im-

1046

C₂H₃N₃

1H-1,2,4-Triazole

c288880

1047

C₄H₄N

pyrrolide radical

c4h4n

1048

C₄H₄N^-

pyrrolide anion

c4h4n-

1049

C₃H₄N₂

1H-Imidazole

1himidaz

1050

C₃H₄N₂

1H-Pyrazole

1hpyraz

1051

C₃H₄N₂

2H-Imidazole

imid2h

1052

C₃H₄N₂

4H-Imidazole

imid4h

1053

C₄H₅N

(E)-2-Butenenitrile

c627269

1054

C₄H₅N

(Z)-2-Butenenitrile

c1190767

1055

C₄H₅N

2H-pyrrole

pyrrole2

1056

C₄H₅N

3H-pyrrole

pyrrole3

1057

C₄H₅N

Cyclopropanecarbonitrile

c5500210

1058

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

1059

C₄H₆N⁺

pyrrole, alpha-protonated

appyr

1060

C₄H₆N⁺

pyrrole, beta-protonated

bppyr

1061

C₄H₆N⁺

pyrrole, protonated

ppyr

1062

C₃H₆N₂

3-Aminopropionitrile

c151188

1063

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

1064

CH₃CH₂CH₂CN

Butanenitrile

c109740

1065

C₅H₈

Bicyclo[2.1.0]pentane

c185944

1066

C₅H₈

Spiropentane

c157404

1067

C₄H₉N

Cyclobutylamine

cbam

1068

C₄H₉N

Pyrrolidine

pyrrolidine

1069

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

1070

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

1071

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1072

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1073

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1074

NH(C₂H₅)₂

diethylamine

dea

1075

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1076

C₃O₂⁺

Carbon suboxide cation

c3o2+

1077

MgCO₃

Magnesium Carbonate

mgco3

1078

BeCO₃

Beryllium Carbonate

beco3

1079

CaCO₃

Calcium Carbonate

caco3

1080

ONONO

Nitrosyl nitrite

onono

1081

PO₄^---

phosphate

po4---

1082

SO₄^--

sulfate

so4--

1083

HOONO₂

peroxy nitric acid

hoono2

1084

HSO₄^-

bisulfate anion

hso4-

1085

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1086

C₃H₂O₂

Propiolic acid

c3h2o2

1087

CHOCOOH

oxo acetic acid

oaa

1088

H₂SO₄

Sulfuric acid

h2so4

1089

H₂SeO₄

Selenic acid

h2seo4

1090

C₃H₃NO

Oxazole

oxazole

1091

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1092

CH₃NO₃

Methyl nitrate

ch3no3

1093

H₃PO₄

Phosphoric Acid

h3po4

1094

C₄H₄O

Furan

furan

1095

C₄H₄O⁺

Furan cation

furan+

1096

CH₃COCCH

3-butyn-2-one

c1423605

1097

C₄H₄S

Thiophene

furans

1098

C₃H₄O₂

β–Propiolactone

beta

1099

C₃H₄O₂

2-Propenoic acid

propenoic2

1100

C₃H₄O₂

Methyl glyoxal

megly

1101

C₃H₄O₂

propanedial

1102

C₃H₄O₂

propenalol

1103

HOCHCCHOH

allenediol

aldiol

1104

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1105

C₂H₄O₃

trioxolane124

triox

1106

HOCH₂COOH

Hydroxyacetic acid

hac

1107

CH₂CHCONH₂

Acrylamide

c79061

1108

CH₃OCH₂CN

Methoxyacetonitrile

c1738369

1109

CH₅N₃S

Hydrazinecarbothioamide

c79196

1110

H₂NCH₂COOH

Glycine

glycine

1111

CH₃SO₂NH₂

methanesulfonamide

ch3so2nh2

1112

C₄H₆O

cis-2-butenal

butenal2c

1113

C₄H₆O

Cyclobutanone

cbutone

1114

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1115

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1116

CH₂CHOCHCH₂

Vinyl ether

vinylether

1117

CHOCHCHCH₃

2-Butenal

butenal2

1118

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1119

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1120

CH₂CHSCHCH₂

Divinyl sulfide

divis

1121

C₂H₆N₂O

Urea, methyl-

c598505

1122

C₃H₆O₂

1,3-Dioxolane

dioxolane

1123

CH₃CH₂COOH

Propanoic Acid

propanoic

1124

CH₃COOCH₃

methyl acetate

aame

1125

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1126

C₃H₇NO

dimethylformamide

dmf

1127

C₃H₇NO

Propanamide

propanam

1128

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1129

C₄H₈O

Cyclobutanol

c2919235

1130

C₄H₈O

Furan, tetrahydro-

thf

1131

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1132

CH₃COCH₂CH₃

2-Butanone

buta2one

1133

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1134

CHOCH₂CH₂CH₃

Butanal

butanal

1135

C₃H₈O₂

1,3-Propanediol

c504632

1136

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1137

C₃H₈O₂

Methane, dimethoxy-

c109875

1138

C₃H₈O₂

Propylene glycol

c57556

1139

C₃H₈S₂

1,3-Propanedithiol

c109808

1140

C₄H₁₀O

1-Butanol

butanol1

1141

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1142

C₄H₁₀O

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

butanol2

1143

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1144

C₄H₁₀O

Ethoxy ethane

etoet

1145

C₄H₁₀O

Propane, 2-methoxy-

c598538

1146

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1147

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

tbush

1148

C₂H₅SC₂H₅

Diethyl sulfide

etset

1149

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1150

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1151

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1152

FNO₃

Fluorine nitrate

fno3

1153

ClONO₂

Chlorine nitrate

clono2

1154

BrONO₂

Bromine nitrate

brono2

1155

TiCl₄

Titanium tetrachloride

ticl4

1156

ClO₄^-

perchlorate anion

clo4-

1157

BF₄^-

tetrafluoroboron anion

bf4-

1158

ClFO₃

Perchloryl fluoride

clfo3

1159

SO₂F₂

Sulfuryl fluoride

so2f2

1160

SO₂Cl₂

Sulfuryl chloride

so2cl2

1161

F₃NO

Nitrogen trifluoride oxide

f3no

1162

F₃PO

Phosphoryl fluoride

pf3o

1163

Cl₃PO

Phosphoryl chloride

pcl3o

1164

CF₄

Carbon tetrafluoride

cf4

1165

SiF₄

Silicon tetrafluoride

sif4

1166

TiF₄

Titanium tetrafluoride

tif4

1167

CFCl₃

Trichloromonofluoromethane

cfcl3

1168

CCl₄

Carbon tetrachloride

ccl4

1169

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1170

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

1171

SiCl₄

Silane, tetrachloro-

sicl4

1172

CF₃I

trifluoroiodomethane

cf3i

1173

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1174

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1175

GeCl₄

Germanium Tetrachloride

gecl4

1176

CCl₃I

trichloroiodomethane

ccl3i

1177

CFBr₃

fluorotribromomethane

cfbr3

1178

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1179

CF₂I₂

difluorodiiodomethane

cf2i2

1180

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1181

SiBr₄

Silicon tetrabromide

sibr4

1182

CBr₃I

tribromoiododmethane

cbr3i

1183

CI₄

tetraiodomethane

ci4

1184

SiI₄

silicon tetraiodide

sii4

1185

ClOF₃

Chlorine trifluoride oxide

clof3

1186

C₂HF₃

Trifluoroethylene

c2hf3

1187

C₂HF₃⁺

Trifluoroethylene cation

c2hf3+

1188

CHClCCl₂

Trichloroethylene

chclccl2

1189

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1190

HClO₄

perchloric acid

hclo4

1191

HSO₃F

Fluorosulfonic acid

hso3f

1192

CF₃OH

trifluoromethanol

cf3oh

1193

CHClCCHCl

1,3-dichloroallene

chclcchcl

1194

PF₃CH₂

phosphorane, trifluoromethylene-

pf3ch2

1195

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1196

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

1197

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1198

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1199

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1200

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1201

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1202

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1203

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1204

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1205

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1206

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1207

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1208

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1209

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1210

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1211

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1212

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1213

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

bute2cl1

1214

CH₃CClCHCH₃

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

bute2cl2e

1215

CH₃CClCHCH₃

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

bute2cl2z

1216

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1217

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1218

C₄H₉F

1-fluorobutane

butaf1

1219

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1220

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1221

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1222

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1223

XeF₄

Xenon tetrafluoride

xef4

1224

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1225

NH₃BF₃

Amminetrifluoroboron

nh3bf3

1226

C₆H₂

hexatriyne

c6h2

1227

C₆H₄

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

c6h4e

1228

C₆H₄

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

c6h4z

1229

C₆H₄

Benzyne

benzyne

1230

C₆H₅

phenyl

1231

C₆H₅^-

phenyl anion

phenyl-

1232

C₆H₆

2,4-Hexadiyne

hexadiyne

1233

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1234

C₆H₆

Benzene

benzene

1235

C₆H₆

Benzvalene

1236

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

1237

C₆H₆

Trimethylenecycopropane

tmcp

1238

C₆H₆⁺

Benzene cation

c6h6+

1239

C₆H₇⁺

benzene, protonated

c6h7+

1240

C₆H₈

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

c821078

1241

C₆H₈

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

c59660650

1242

C₆H₈

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

hexatri135

1243

C₆H₈

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

hetr234c

1244

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1245

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1246

C₆H₈

3-Methylenecyclopentene

c930267

1247

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1248

C₆H₈

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

c30830207

1249

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1250

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1251

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1252

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1253

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1254

C₆H₁₀

1,5-Hexadiene

c592427

1255

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1256

C₆H₁₀

1-Hexyne

hexyne1

1257

C₆H₁₀

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

hexdi24ee

1258

C₆H₁₀

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

hexdi24ez

1259

C₆H₁₀

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

hexdi24zz

1260

C₆H₁₀

2-Hexyne

c764352

1261

C₆H₁₀

3-Hexyne

hexyne3

1262

C₆H₁₀

cyclohexene

1263

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1264

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1265

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1266

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1267

C₆H₁₂

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

dmcb12t

1268

C₆H₁₂

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

dmcb13t

1269

C₆H₁₂

(E)-2-Hexene

e2hexene

1270

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1271

C₆H₁₂

(E)-hex-3-ene

e3hexene

1272

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1273

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1274

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1275

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1276

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1277

C₆H₁₂

3-methylenepentane

c760214

1278

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1279

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1280

C₆H₁₂

Cyclohexane

cyclohexane

1281

C₆H₁₂

Cyclopentane, methyl-

c96377

1282

C₆H₁₂

Ethylcyclobutane

c4806615

1283

C₆H₁₂

hex-1-ene

hexene1

1284

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1285

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1286

C₆H₁₄

Hexane

hexane

1287

C₆H₁₄

Pentane, 2-methyl-

penta2

1288

C₆H₁₄

Pentane, 3-methyl-

penta3

1289

C₄N₂

2-Butynedinitrile

c4n2

1290

C₄H₂N₂

Fumaronitrile

c4h2n2

1291

C₂H₂N₄

sym-tetrazine

ttz

1292

C₃H₃N₃

1,3,5-Triazine

triazine135

1293

CH₃N₅

5-Aminotetrazole

c4418615

1294

C₄H₄N₂

1,3-Diazine

diazine13

1295

C₄H₄N₂

Pyridazine

pyridazine

1296

C₄H₄N₂

Succinonitrile

c110612

1297

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1298

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1299

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1300

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1301

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1302

C₅H₅N

Pyridine

pyridine

1303

B₃N₃H₆

borazine

1304

C₆H₆

Fulvene

fulvene

1305

C₅H₆N⁺

Pyridinium

c5h6n

1306

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1307

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1308

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1309

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1310

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1311

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1312

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1313

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1314

C₅H₉N

Pentanenitrile

c110598

1315

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1316

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1317

C₅H₁₁N

Cyclopentanamine

cypentam

1318

C₅H₁₁N

Piperidine

piper

1319

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1320

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1321

Li₂CO₃

Lithium Carbonate

li2co3

1322

Na₂CO₃

Sodium Carbonate

na2co3

1323

C₂O₄^--

oxalate anion

c2o4

1324

MgSO₄

Magnesium Sulfate

mgso4

1325

N₂O₄

Dinitrogen tetroxide

n2o4

1326

C₂H₂O₄

Oxalic Acid

oxalic

1327

C₂H₃NO₃

Oxamic acid

oxamic

1328

C₄H₄O₂

2(5H)-Furanone

furanone

1329

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1330

C₂H₄N₂O₂

Oxalamide

oxalamide

1331

C₂H₄N₂S₂

Ethanedithioamide

c79403

1332

C₂H₄CO₃

Ethylene carbonate

etco3

1333

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1334

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1335

C₂H₄O₄

Formic acid dimer

fadimer

1336

C₄H₅NO

3-Methylisoxazole

isox3m

1337

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1338

C₄H₅NS

4-Methylthiazole

c693958

1339

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1340

C₅H₆O

2-methylfuran

furan2m

1341

C₅H₆O

3-Methylfuran

furan3m

1342

C₅H₆S

Thiophene, 2-methyl-

c554143

1343

C₅H₆S

Thiophene, 3-methyl-

c616444

1344

C₄H₆O₂

2,3-Butanedione

c431038

1345

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1346

C₄H₆O₂

Crotonic Acid

crot

1347

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1348

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1349

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1350

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1351

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1352

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1353

C₄H₆OS

Vinyl sulfoxide

c1115157

1354

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1355

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1356

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1357

C₃H₆S₃

1,3,5-Trithiane

c3h6s3

1358

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1359

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1360

C₄H₇NO

2-Pyrrolidinone

c616455

1361

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1362

C₄H₇NO

Methacrylamide

c79390

1363

C₄H₇NO

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

c1120645

1364

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1365

C₃H₇ONO

Propyl nitrite

prono

1366

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1367

CH₃CH(NH₂)COOH

Alanine

alanine

1368

CH₃NHCH₂COOH

Sarcosine

sarcosine

1369

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1370

NH₂COOC₂H₅

Urethane

urethane

1371

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1372

C₅H₈O

Cyclopentanone

c120923

1373

C₅H₈O

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

c1487156

1374

C₅H₈O

Methyl cyclopropyl ketone

c765435

1375

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1376

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

1377

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1378

C₄H₈O₂

1,3-Dioxane

dioxan13

1379

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1380

C₄H₈O₂

1,4-Dioxane

dioxan14

1381

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1382

C₄H₈O₂

Ethyl acetate

c141786

1383

C₄H₈OS

s-Ethyl thioacetate

c625605

1384

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1385

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1386

C₄H₉NO

Butanamide

c541355

1387

C₄H₉NO

Propanamide, 2-methyl-

c563837

1388

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1389

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1390

C₅H₁₀O

2-methylbutyraldehyde

2meba

1391

C₅H₁₀O

2-Pentanone

mpk

1392

C₅H₁₀O

Cyclopentanol

c96413

1393

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1394

C₅H₁₀O

Pentanal

pal

1395

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1396

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1397

C₅H₁₀S

Cyclopentanethiol

c1679078

1398

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1399

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1400

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1401

C₄H₁₀O₂

1,3-Butanediol

budiol13

1402

C₄H₁₀O₂

1,4-Butanediol

budiol14

1403

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1404

C₄H₁₀OS

Diethyl sulfoxide

c70291

1405

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1406

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1407

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1408

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1409

C₅H₁₂O

1-Pentanol

pentanol1

1410

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1411

C₅H₁₂O

2-Pentanol

peol2

1412

C₅H₁₂O

3-Pentanol

pentan3ol

1413

C₅H₁₂O

Butane, 1-methoxy-

meobu

1414

C₅H₁₂O

Propane, 1-ethoxy-

proet

1415

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1416

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1417

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1418

C₅H₁₂S

1-Pentanethiol

c110667

1419

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1420

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1421

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1422

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1423

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1424

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1425

C₅H₁₂S

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

c6163640

1426

ClCOClCO

Oxalyl chloride

oxcl

1427

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1428

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1429

B₂F₄

Diboron tetrafluoride

b2f4

1430

B₂Cl₄

Diboron tetrachloride

b2cl4

1431

C₂F₄

Tetrafluoroethylene

c2f4

1432

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1433

CF₂CCl₂

difluorodichloroethylene

cf2ccl2

1434

CFClCClF

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

cfclcclf

1435

CFClCFCl

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

cfclcfcl

1436

C₂FCl₃

fluorotrichloroethene

c2fcl3

1437

C₂Cl₄

Tetrachloroethylene

c2cl4

1438

CF₃OF

Trifluoromethylhypofluorite

cf3of

1439

SOF₄

Sulfur tetrafluoride oxide

sof4

1440

PF₅

Phosphorus pentafluoride

pf5

1441

AsF₅

Arsenic pentafluoride

asf5

1442

PCl₅

Phosphorus pentachloride

pcl5

1443

SF₅

Sulfur pentafluoride

sf5

1444

SF₅⁺

pentafluoro sulfur cation

sf5+

1445

SbCl₅

Antimony pentachloride

sbcl5

1446

BrF₅

bromine pentafluoride

brf5

1447

ClF₅

chlorinepentafluoride

clf5

1448

IF₅

pentafluoroiodine

if5

1449

CF₃CHO

trifluoroacetaldehyde

cf3cho

1450

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1451

CHFClCHClF

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

chfclchclf

1452

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1453

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1454

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1455

CHFClCHFCl

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

chfclchfcl

1456

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

1457

CF₃COOH

trifluoroacetic acid

cf3cooh

1458

C₄H₃ClO

Furan, 2-chloro

fur2cl

1459

C₄H₃ClO

Furan,3-chloro

fur3cl

1460

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1461

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1462

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1463

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1464

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1465

C₄H₈Cl₂

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

c2211678

1466

C₄H₈Cl₂

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

c4028562

1467

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1468

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1469

C₄H₈O₂

Butanoic acid

bua

1470

C₆H₅CH₂

benzyl radical

benzyl

1471

C₇H₇

cycloheptatrienyl radical

c7h7

1472

C₇H₇⁺

cycloheptatrienyl cation

c7h7+

1473

C₆H₅CH₃

toluene

1474

C₇H₈

cycloheptatriene

cht

1475

C₇H₈

Norbornadiene

norbor

1476

C₇H₈

Quadricyclane

qucy

1477

C₇H₁₂

Norbornane

nor

1478

C₇H₁₄

cycloheptane

c7h14

1479

C₇H₁₆

2-methylhexane

2mhex

1480

C₇H₁₆

3-methylhexane

hex3m

1481

C₇H₁₆

heptane

1482

C₆H₇N

2-Methylpyridine

1483

C₆H₅NH₂

aniline

1484

C₆H₁₃N

2-Methylpiperidine

pip2m

1485

C₆H₁₃N

cyclohexanamine

cham

1486

C₆H₁₅N

triethylamine

tea

1487

N₂O₅

Dinitrogen pentoxide

n2o5

1488

C₄H₂O₃

Maleic Anhydride

malan

1489

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1490

C₅H₄O₂

furfural

1491

C₆H₅O

phenoxy radical

phenoxy

1492

C₅H₅NO

2(1H)-Pyridinone

c72762006

1493

C₅H₅NO

2(3H)-Pyridinone

c9000048

1494

C₅H₅NO

2(5H)-Pyridinone

c9000037

1495

C₅H₅NO

2-Pyridinol

c109104

1496

C₅H₅NO

3(2H)-Pyridinone

c9000004

1497

C₅H₅NO

3(4H)-Pyridinone

c9000026

1498

C₅H₅NO

3(6H)-Pyridinone

c9000015

1499

C₅H₅NO

3-Pyridinol

c109002

1500

C₅H₅NO

4(1H)-Pryidinone

c9000060

1501

C₅H₅NO

4(3H)-Pryidinone

c9000059

1502

C₅H₅NO

4-Pyridinol

c626642

1503

C₆H₅OH

phenol

1504

C₆H₆O

2,4-Cyclohexadienone

c24599573

1505

C₆H₆O

2,5-Cyclohexadienone

c5664335

1506

C₆H₅SH

Benzenethiol

phsh

1507

HO₂CCHNH₂CH₂OH

Serine

serine

1508

C₅H₈O₂

Acetylacetone

acac

1509

C₄H₈O₂S

Sulfolane

sulfolane

1510

C₇H₁₀

Norbornene

norbornene

1511

CH(C₂H₃)₃

trivinyl methane

tvm

1512

C₆H₁₀O

cyclohexanone

chexo

1513

C₆H₁₂O

hexanal

c6h12o

1514

C₃H₇OC₃H₇

di-n-propyl ether

propr

1515

CF₃COO^-

trifluoro acetate anion

cf3coo-

1516

CF₃COF

trifluoroacetyl fluoride

cf3cof

1517

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1518

PF₆

Hexafluorophosphate neutral

pf6

1519

PF₆^-

Hexafluorophosphate ion

pf6-

1520

SeF₆

Selenium hexafluoride

sef6

1521

SF₅Cl

sulfur chloropentafluoride

sf5cl

1522

CF₃CHF₂

pentafluoroethane

cf3chf2

1523

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1524

CF₃CHCl₂

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

cf3chcl2

1525

CHCl₂CClF₂

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

chcl2cclf2

1526

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1527

C₆H₅F

Fluorobenzene

bzf

1528

C₆H₅Cl

chlorobenzene

bzcl

1529

C₆H₅Br

bromobenzene

bzbr

1530

C₈H₆

Calicene

calicene

1531

C₆H₅CCH

phenylacetylene

phac

1532

C₈H₆

benzocyclobutadiene

bcbd

1533

C₈H₆

Pentalene

pentalene

1534

C₆H₅CHCH₂

Styrene

styrene

1535

C₈H₈

cubane

1536

C₈H₈

cyclooctatetraene

cot

1537

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1538

CH₃C₆H₄CH₃

meta-xylene

mxylene

1539

CH₃C₆H₄CH₃

paraxylene

pxylene

1540

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1541

C₈H₁₆

cyclooctane

cyclooct

1542

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1543

C₈H₁₈

Octane

c8h18

1544

C₆H₅CN

phenyl cyanide

phcn

1545

C₆H₁₂N₂

Triethylenediamine

ted

1546

C₄O₄^--

squarate dianion

c4o4--

1547

S₄N₄

Tetrasulfur tetranitride

s4n4

1548

S₈

Octasulfur

1549

C₆H₄O₂

parabenzoquinone

pbq

1550

C₄H₄N₂O₂

Uracil

uracil

1551

C₆H₅OCH₃

Anisole

anisole

1552

C₅H₉NO₂

Proline

proline

1553

C₆H₁₂O₂

Methyl pivalate

c598981

1554

C₆H₁₂O₂

Hexanoic acid

hexa

1555

C₄F₄

tetrafluorcyclobutadiene

c4f4

1556

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1557

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1558

CF₂ClCF₂Cl

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

cf2clcf2cl

1559

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1560

CF₂ClCFCl₂

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

cf2clcfcl2

1561

CF₃CCl₃

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

cf3ccl3

1562

C₂F₆

hexafluoroethane

c2f6

1563

IF₇

Iodine heptafluoride

if7

1564

C₆H₄F₂

metadifluorobenzene

mdfb

1565

C₆H₄F₂

orthodifluorobenzene

odfb

1566

C₆H₄F₂

1,4-difluorobenzene

pdfb

1567

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1568

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1569

C₆H₄Cl₂

1,4-dichlorobenzene

dcb14

1570

C₉H₈

Indene

indene

1571

C₉H₈

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

snt

1572

C₉H₁₂

n-propyl benzene

prbz

1573

C₉H₂₀

Nonane

nonane

1574

C(CN)₄

tetracyanomethane

c5n4

1575

C₅H₄N₄

purine

1576

C₈H₇N

Indole

indole

1577

C₃H₃N₃O₃

cyanuric acid

cyanuric

1578

C₆H₅NO₂

Nitrobenzene

c6h5no2

1579

C₆H₅COOH

benzoic acid

benzo

1580

CH₃COC₆H₅

acetophenone

acph

1581

C₃Cl₃N₃

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

c3cl3n3

1582

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1583

C₁₀H₈

Azulene

azu

1584

C₁₀H₈

naphthalene

naph

1585

C₁₀H₁₆

adamantane

1586

C₆N₄

Tetracyanoethylene

tcne

1587

C₆N₄^-

tetracyanoethylene anion

tcne-

1588

C₁₀H₂₂

Decane

decane

1589

C₄F₆

perfluorobutadiene

c4f6

1590

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1591

C₃F₈

perfluoropropane

c3f8

1592

Fe(CO)₅

Iron pentacarbonyl

ipc

1593

Fe(C₅H₅)₂

ferrocene

fecp2

1594

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1595

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1596

C₁₂H₈

Acenaphthylene

acenaph

1597

C₁₂H₈

biphenylene

biph

1598

C₁₂H₁₀

biphenyl

1599

C₁₂H₁₀

Heptalene

heptalene

1600

C₆H₁₂O₆

Inositol

inositol

1601

C₆F₆

hexafluorobenzene

c6f6

1602

S₂F₁₀

disulphur decafluoride

s2f10

1603

C₁₃H₁₀

Fluorene

fluorene

1604

C₁₄H₁₀

Anthracene

anth

1605

C₁₄H₁₀

Phenanthrene

phenanthrene

1606

C₁₄H₁₄

Bibenzyl

bibenzyl

1607

C₁₂H₁₀N₂

azobenzene

1608

C₆H₅COC₆H₅

benzophenone

1609

C₁₆H₁₀

Pyrene

pyrene

1610

C₁₈H₁₂

Tetracene

tetracene

1611

C₁₉H₁₆

Triphenylmethane

tpm

1612

C₂₄H₁₂

Coronene

coronene

1613

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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