CCCBDB List of Species with completed calculations

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List of which calculations are completed at QCISD(TQ) /cc-pVDZ

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count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	He	Helium atom	¹S	K_h
3	He	Helium atom
4	Li	Lithium atom	²S	K_h
5	MgH	magnesium monohydride	²Σ	C_∞v
6	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
7	B	Boron atom	²P	K_h
8	Al^-	Aluminum atom anion	³P	K_h
9	BH	Boron monohydride	¹Σ	C_∞v
10	ScH	Scandium monohydride	¹Σ	C_∞v
11	BH₃⁺	boron trihydride cation	²B₂	C_2v
12	BH₃⁺	boron trihydride cation		C_2v
13	AlH₃	aluminum trihydride	¹A₁^'	D_3h
14	AlH₃^-	aluminum trihydride anion		C_3v
15	ScH₃	Scandium trihydride	¹A₁^'	D_3h
16	ScH₃	Scandium trihydride	¹A₁	C_3v
17	BH₄	borohydride	²B₂	C_2v
18	BH₄^-	borohydride anion	¹A₁	T_d
19	C	Carbon atom	³P₀	K_h
20	C	Carbon atom	³P₁	K_h
21	C^-	Carbon atom anion	²D	K_h
22	Si	Silicon atom	³P	K_h
23	Si	Silicon atom	¹S	K_h
24	Si^-	Silicon atom anion	⁴S	K_h
25	SiH	Silylidyne	²Π	C_∞v
26	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
27	GeH	germylidene	²Π	C_∞v
28	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
29	CH₂	Methylene	³B₁	C_2v
30	CH₂	Methylene	³Σ_G	D_∞h
31	CH₂	Methylene	¹A₁	C_2v
32	CH₂^-	methylene anion	²B₁	C_2v
33	CH₂⁺	methylene cation	²A₁	C_2v
34	CH₂⁺	methylene cation	²Π	D_∞h
35	GeH₂	germylene	¹A₁	C_2v
36	CH₃	Methyl radical	²A₁	D_3h
37	CH₃^-	methyl anion	¹A₁	C_3v
38	CH₃⁺	methyl cation	¹A₁^'	D_3h
39	SiH₃	Silyl radical	²A₁	C_3v
40	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
41	CH₄	Methane	¹A₁	T_d
42	CH₄^-	Methane anion	²A₁	T_d
43	CH₄^-	Methane anion	²A₁	C_3v
44	SiH₂D₂	silane-d2
45	SiH₄	Silane	¹A₁	T_d
46	GeH₄	Germane	¹A₁	T_d
47	SiH₅⁺	Silane, protonated
48	N	Nitrogen atom	⁴S	K_h
49	N	Nitrogen atom	²D	K_h
50	N⁺	Nitrogen atom cation	³P	K_h
51	P	Phosphorus atom	⁴S	K_h
52	V	Vanadium atom	⁴F	K_h
53	V⁺	Vanadium atom cation	⁵D	K_h
54	As	Arsenic atomic	⁴S	K_h
55	As^-	Arsenic anion	³P	K_h
56	As⁺	Arsenic cation	³P	K_h
57	PH	phosphorus monohydride	³Σ^-	C_∞v
58	NH₂	Amino radical	²B₁	C_2v
59	NH₂⁺	Amino cation	³B₁	C_2v
60	NH₂⁺	Amino cation	¹A₁	C_2v
61	NH₃	Ammonia	¹A₁	C_3v
62	NH₃^-	Ammonia anion	²A₁	C_3v
63	NH₃⁺	ammonia cation	²A₂^"	D_3h
64	PH₃	Phosphine	¹A₁	C_3v
65	PH₃⁺	Phosphine cation	²A₁	C_3v
66	NH₄⁺	ammonium cation	¹A₁	T_d
67	PH₄	Phosphoranyl radical
68	PH₄⁺	phosphonium cation
69	O	Oxygen atom	³S	K_h
70	O⁺	Oxygen atom cation	⁴S	K_h
71	S	Sulfur atom	³P	K_h
72	S^-	Sulfur atom anion	²P	K_h
73	S⁺	Sulfur atom cation	⁴S	K_h
74	OH	Hydroxyl radical	²Π	C_∞v
75	OH^-	hydroxide anion	¹Σ	C_∞v
76	OH⁺	hydoxyl cation	³Σ	C_∞v
77	HS	Mercapto radical	²Π	C_∞v
78	HS^-	mercapto anion	¹Σ	C_∞v
79	HS⁺	sulfur monohydride cation	³Σ	C_∞v
80	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
81	HSe⁺	selenium monohydride cation	³Σ	C_∞v
82	H₂O	Water	¹A₁	C_2v
83	H₂O^-	water anion	²A₁	C_2v
84	H₂O^-	water anion	²A^'	C_s
85	H₂O⁺	water cation	²B₁	C_2v
86	HDO	Water-d1	¹A₁	C_2v
87	H₂S	Hydrogen sulfide	¹A₁	C_2v
88	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
89	H₂Se	Hydrogen selenide	¹A₁	C_2v
90	H₃O⁺	hydronium cation	¹A₁	C_3v
91	H₃S⁺	Sulfonium cation	¹A₁	C_3v
92	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
93	F	Fluorine atom	²P	K_h
94	F^-	Fluorine atom anion	¹S	K_h
95	F⁺	Fluorine atom cation	³S	K_h
96	F⁺	Fluorine atom cation	¹D	K_h
97	Cl	Chlorine atom	²P	K_h
98	Cl^-	Chlorine atom anion	¹S	K_h
99	Cl⁺	Chlorine atom cation	³P	K_h
100	Cl⁺	Chlorine atom cation	¹D	K_h
101	HF	Hydrogen fluoride	¹Σ	C_∞v
102	HCl	Hydrogen chloride	¹Σ	C_∞v
103	HCl⁺	hydrogen chloride cation	²Π	C_∞v
104	HBr	hydrogen bromide	¹Σ	C_∞v
105	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
106	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
107	Ne	Neon atom	¹S	K_h
108	Ne	Neon atom
109	Ne⁺	Neon atom cation	²P	K_h
110	Ar	Argon atom	¹S	K_h
111	Kr	Krypton atom	¹S	K_h
112	Kr⁺	Krypton cation	²P	K_h
113	ArH⁺	Argon hydride cation	¹Σ	C_∞v
114	KrH⁺	Protonated Krypton	¹Σ	C_∞v
115	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
116	BeMg	Beryllium Magnesium	¹Σ	C_∞v
117	NaAl	Sodium aluminum	¹Σ	C_∞v
118	BeB	Beryllium monoboride	²Π	C_∞v
119	B₂	Boron diatomic	¹Σ_g	D_∞h
120	B₂⁺	Boron diatomic cation	²Π	D_∞h
121	BAl	Boron Aluminum	³Σ	C_∞v
122	BGa	Boron Gallium	³Σ	C_∞v
123	AlGa	Aluminum Gallium	³Σ	C_∞v
124	AlGa	Aluminum Gallium	¹Σ	C_∞v
125	Ga₂	Gallium diatomic	³P_iu
126	HBBH	Diborane(2)	³Σ_G	D_∞h
127	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
128	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
129	B₂H₆	Diborane	¹A_g	D_2h
130	B₂H₆⁺	Diborane cation
131	Ga₂H₆	digallane	¹A_G	D_2h
132	BeC	Beryllium Carbide	³Σ^-	C_∞v
133	BeC	Beryllium Carbide
134	CaC	Calcium monocarbide
135	AlC	Aluminum carbide	⁴Σ	C_∞v
136	BSi	Boron silicide	⁴Σ	C_∞v
137	BSi	Boron silicide	²Σ	C_∞v
138	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
139	C₂	Carbon diatomic	³Σ_g^-
140	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
141	SiGe	Silicon Germanium
142	C₂H	Ethynyl radical	²Σ	C_∞v
143	C₂H₂	Acetylene	¹Σ_g	D_∞h
144	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
145	H₂CC^-	vinylidene anion
146	CH₃Li	methyl lithium	¹A₁	C_3v
147	CH₂BH	methyleneborane	¹A₁	C_2v
148	C₂H₃	vinyl	²A^'	C_s
149	C₂H₃^-	vinyl anion	¹A^'	C_s
150	C₂H₄	Ethylene	¹A_g	D_2h
151	C₂H₄^-	Ethylene anion	²A_g	C_2h
152	C₂H₄⁺	Ethylene cation	²B₃	D₂
153	CH₃BH₂	methylborane	¹A^'	C_s
154	C₂H₅	Ethyl radical	²A^'	C_s
155	C₂H₆	Ethane	¹A_1g	D_3d
156	LiP	Lithium monophosphide
157	LiP	Lithium monophosphide
158	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
159	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
160	MgN	Magnesium Nitride
161	BP	Boron monophosphide	³Π	C_∞v
162	BP	Boron monophosphide	¹Σ	C_∞v
163	AlP	Aluminum monophosphide	³Σ	C_∞v
164	AlP	Aluminum monophosphide	³Π	C_∞v
165	AlP	Aluminum monophosphide	¹Σ	C_∞v
166	GaN	Gallium mononitride	¹Σ	C_∞v
167	GaP	Gallium monophosphide	³Σ	C_∞v
168	GaP	Gallium monophosphide	¹Σ	C_∞v
169	GaAs	Gallium arsenide	³Π
170	GaAs	Gallium arsenide	¹Σ
171	BN	boron nitride	³Π	C_∞v
172	BN	boron nitride	¹Σ	C_∞v
173	CN	Cyano radical	²Σ	C_∞v
174	CN^-	cyanide anion	¹Σ	C_∞v
175	SiP	Silicon monophosphide	²Π	C_∞v
176	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
177	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
178	HCN	Hydrogen cyanide	¹Σ	C_∞v
179	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
180	HNC⁺	hydrogen isocyanide cation
181	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
182	N₂H₂	(E)-diazene	¹A_g	C_2h
183	N₂H₂	(Z)-Diazene	¹A₁	C_2v
184	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
185	CH₂NH⁺	Methanimine cation
186	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
187	N₂H₄⁺	hydrazine cation	²A_G	C_2h
188	CH₃NH₂	methyl amine	¹A^'	C_s
189	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
190	BH₃PH₃	borane phosphine
191	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
192	N₂H₇⁺	ammonia ammonium dimer
193	LiO	lithium oxide	²Σ	C_∞v
194	LiS	Lithium monosulfide	²Π	C_∞v
195	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
196	NaO	sodium monoxide	²Σ	C_∞v
197	NaS	Sodium sulfide	²Π	C_∞v
198	CaS	Calcium sulfide	¹Σ	C_∞v
199	BO	boron monoxide	²Σ	C_∞v
200	ScO	Scandium monoxide	²Σ	C_∞v
201	CO	Carbon monoxide	¹Σ	C_∞v
202	CO^-	carbon monoxide anion	²Π	C_∞v
203	CO⁺	carbon monoxide cation	²Σ	C_∞v
204	TiO	Titanium monoxide	³Δ	C_∞v
205	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
206	GeS	Germanium monosulfide	¹Σ	C_∞v
207	SiSe	Silicon Monoselenide
208	SiSe⁺	Silicon Monoselenide cation
209	NO	Nitric oxide	²Π	C_∞v
210	NO^-	nitric oxide anion	³Σ	C_∞v
211	NO⁺	nitric oxide cation	¹Σ	C_∞v
212	NS	Mononitrogen monosulfide	²Π	C_∞v
213	PO	Phosphorus monoxide	²Π	C_∞v
214	PS	phosphorus sulfide	²Σ	C_∞v
215	VO	Vanadium monoxide	⁴Σ^-
216	NSe	Nitrogen monoselenide	²Π	C_∞v
217	AsS	Arsenic monosulfide	²Π	C_∞v
218	PSe	Phosphorus monoselenide	²Π	C_∞v
219	AsSe	Arsenic monoselenide	²Π	C_∞v
220	O₂	Oxygen diatomic	³Σ_g	D_∞h
221	O₂^-	oxygen diatomic anion	²Π	D_∞h
222	SO⁺	sulfur monoxide cation	²Π	C_∞v
223	S₂	Sulfur diatomic	³Σ_g	D_∞h
224	LiOH	lithium hydroxide	¹Σ	C_∞v
225	BeOH	beryllium monohydroxide	²A^'	C_s
226	BeOH	beryllium monohydroxide	²Σ	C_∞v
227	HBO	Boron hydride oxide	¹Σ	C_∞v
228	COH	Hydroxymethylidyne
229	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
230	HCO^-	formyl anion	¹A^'	C_s
231	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
232	NOH	Hydroxyimidogen	³A^"	C_s
233	NOH⁺	O-protonated nitric oxide	²A^'	C_s
234	HO₂	Hydroperoxy radical	²A^"	C_s
235	HO₂⁺	Hydroperoxy cation	³A^"	C_s
236	HSO⁺	Sulfur Monoxide, S-protonated
237	SOH⁺	Sulfur Monoxide, protonated
238	H₂CO	Formaldehyde	¹A₁	C_2v
239	H₂CO^-	formaldehyde anion	²A^'	C_s
240	H₂CO⁺	formaldehyde cation	²B₂	C_2v
241	H₂CS	Thioformaldehyde	¹A₁	C_2v
242	H₂NO	nitroxide	²B₁	C_2v
243	H₂NO	nitroxide	²A^'	C_s
244	H₂O₂	Hydrogen peroxide	¹A	C₂
245	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
246	H₂S₂	Disulfane	¹A	C₂
247	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
248	CH₂OH	Hydroxymethyl radical	²A	C₁
249	CH₃O⁺	Methoxy cation	³A₁	C_3v
250	NH₂OH	hydroxylamine	¹A^'	C_s
251	NH₂OH⁺	Hydroxylamine cation
252	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
253	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
254	CH₃SH	Methanethiol	¹A^'	C_s
255	CH₃SH⁺	Methanethiol cation	²A^"	C_s
256	H₂OH₂O	water dimer	¹A^'	C_s
257	LiCl	lithium chloride	¹Σ	C_∞v
258	NaF	sodium fluoride	¹Σ	C_∞v
259	NaCl	Sodium Chloride	¹Σ	C_∞v
260	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
261	ZnF	Zinc monofluoride	²Σ	C_∞v
262	BF	Boron monofluoride	¹Σ	C_∞v
263	ScF	Scandium monofluoride	¹Σ	C_∞v
264	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
265	CF	Fluoromethylidyne	²Π	C_∞v
266	SiF	silicon monofluoride	²Π	C_∞v
267	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
268	CBr	Carbon monobromide	²Π	C_∞v
269	NCl	nitrogen monochloride	³Σ	C_∞v
270	AsF	Arsenic monofluoride	³Σ	C_∞v
271	AsCl	Arsenic monochloride	³Σ	C_∞v
272	FO	Oxygen monofluoride	²Π	C_∞v
273	SF	Monosulfur monofluoride	²Π	C_∞v
274	SeF	Selenium monofluoride	²Π	C_∞v
275	SeCl	Selenium monochloride	²Π	C_∞v
276	F₂	Fluorine diatomic	¹Σ_g	D_∞h
277	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
278	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
279	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
280	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
281	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
282	HCF	Fluoromethylene	¹A^'	C_s
283	HCF	Fluoromethylene	³A^"	C_s
284	HOCl⁺	hypochlorous acid cation
285	ClFH⁺	Chlorine fluoride, F-protonated
286	FClH⁺	Chlorine fluoride, Cl-protonated
287	CH₂F	fluoromethyl radical	²A	C_s
288	CH₃F	Methyl fluoride	¹A₁	C_3v
289	CH₃Cl	Methyl chloride	¹A₁	C_3v
290	NH₄Cl	Ammonium chloride
291	LiNe⁺	Lithium Neon cation
292	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
293	Ar₂	Argon diatomic	¹S_g	D_∞h
294	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
295	C₃	carbon trimer	¹Σ_g	D_∞h
296	C₃	carbon trimer	¹A₁	C_2v
297	C₃H₃	cyclopropenyl radical	²A^'	C_s
298	C₃H₅	Allyl radical	²A₂	C_2v
299	C₃H₅	Allyl radical	²A^"	C_s
300	C₃H₆	Cyclopropane	¹A₁^'	D_3h
301	CH₂CHCH₃	Propene	¹A^'	C_s
302	LiCN	lithium cyanide	¹Σ	C*V LiCN
303	LiCN	lithium cyanide	¹A^'	C_s
304	LiCN	lithium cyanide	¹Σ	C*V LiNC
305	NaCN	Sodium Cyanide	¹A	C_s
306	N₃	azide radical	²Π_g	D_∞h
307	N₃⁺	azide cation	³Σ_g	D_∞h
308	N₃⁺	azide cation	³Σ	C_∞v
309	HCCN	cyanomethylene	³A^"	C_s
310	NH₂CN	cyanamide	¹A₁	C_2v
311	CH₂CHNH	vinylazine	²A^"	CS cis
312	Li₂O	dilithium oxide	¹Σ_g	D_∞h
313	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
314	Li₂S	dilithium sulfide	¹A₁	C_2v
315	CCO	Dicarbon monoxide	³Σ	C_∞v
316	CCO	Dicarbon monoxide	¹Π	C_∞v
317	NCO	isocyanato radical	²Π	C_∞v
318	N₂O	Nitrous oxide	¹Σ	C_∞v
319	N₂O^-	Nitrous oxide anion	²A^'	C_s
320	CO₂	Carbon dioxide	¹Σ_g	D_∞h
321	OCS	Carbonyl sulfide	¹Σ	C_∞v
322	TiO₂	Titanium dioxide	¹A₁	C_2v
323	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
324	NO₂	Nitrogen dioxide	²A₁	C_2v
325	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
326	O₃	Ozone	¹A₁	C_s
327	SO₂	Sulfur dioxide	¹A₁	C_2v
328	S₃	Sulfur trimer	¹A₁	C_2v
329	S₃⁺	Sulfur trimer cation	²B₂	C_2v
330	HCNO	fulminic acid	¹Σ	C_∞v
331	HCNO	fulminic acid	¹A^'	C_s
332	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
333	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
334	O₃H⁺	protonated ozone	¹A^'	C_s
335	Be(OH)₂	Beryllium hydroxide
336	Be(OH)₂	Beryllium hydroxide
337	H₂COO	Dioxymethyl radical	²A^'	C_s
338	HCOOH	Formic acid	¹A^'	C_s
339	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
340	BH₃CO	Borane carbonyl	¹A₁	C_3v
341	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
342	CH₃NO	nitrosomethane	¹A^'	C_s
343	CuF₂	Copper difluoride	²Π_g	D_∞h
344	CNF	iso cyanogen fluoride	¹Σ	C_∞v
345	FCO	Carbonyl fluoride	²A^'	C_s
346	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
347	ClCO	carbonyl monochloride	²A^'	C_s
348	FSN	Thiazyl fluoride	¹A^'	C_s
349	CF₂	Difluoromethylene	¹A₁	D_∞h
350	CFCl	chlorofluoromethylene	¹A^'	C_s
351	OClO^-	Chlorine dioxide anion	¹A^'	C_s
352	HFCO⁺	formyl fluoride cation	²A^'	C_s
353	C₄H₄	Tetrahedrane
354	Li₃N	trilithium nitride	¹A^'	D_3h
355	C₂N₂	Cyanogen	¹Σ_g	D_∞h
356	C₄H₈	cyclobutane	¹A₁	D_2d
357	C₃O	Tricarbon monoxide	¹Σ	C_∞v
358	ONNO	NO dimer	¹A_g	trans C2H
359	NH₂COOH	Carbamic acid	¹A^'	C_s
360	NH₂CONH₂	Urea	¹A₁	C_2v
361	C₃H₆O	Oxetane	¹A₁	C_2v
362	C₃H₆O	Oxetane	¹A^'	C_s
363	BF₃	Borane, trifluoro-	¹A^'	D_3h
364	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
365	BrONO₂	Bromine nitrate	¹A^'	C_s
366	C₃H₃N₃O₃	cyanuric acid	¹A₁^'	D_3h

count

Species

Name

State

Conformation

Hydrogen atom

¹S

K_h

Helium atom

¹S

K_h

Helium atom

Lithium atom

²S

K_h

MgH

magnesium monohydride

²Σ

C_∞v

MgH₂

magnesium dihydride

¹Σ_g

D_∞h

Boron atom

²P

K_h

Al^-

Aluminum atom anion

³P

K_h

Boron monohydride

¹Σ

C_∞v

ScH

Scandium monohydride

¹Σ

C_∞v

BH₃⁺

boron trihydride cation

²B₂

C_2v

BH₃⁺

boron trihydride cation

C_2v

AlH₃

aluminum trihydride

¹A₁^'

D_3h

AlH₃^-

aluminum trihydride anion

C_3v

ScH₃

Scandium trihydride

¹A₁^'

D_3h

ScH₃

Scandium trihydride

¹A₁

C_3v

BH₄

borohydride

²B₂

C_2v

BH₄^-

borohydride anion

¹A₁

T_d

Carbon atom

³P₀

K_h

Carbon atom

³P₁

K_h

C^-

Carbon atom anion

²D

K_h

Silicon atom

³P

K_h

Silicon atom

¹S

K_h

Si^-

Silicon atom anion

⁴S

K_h

SiH

Silylidyne

²Π

C_∞v

SiH⁺

silicon monohydride cation

¹Σ

C_∞v

GeH

germylidene

²Π

C_∞v

GeH⁺

Germaniun monohyrdide cation

¹Σ

C_∞v

CH₂

Methylene

³B₁

C_2v

CH₂

Methylene

³Σ_G

D_∞h

CH₂

Methylene

¹A₁

C_2v

CH₂^-

methylene anion

²B₁

C_2v

CH₂⁺

methylene cation

²A₁

C_2v

CH₂⁺

methylene cation

²Π

D_∞h

GeH₂

germylene

¹A₁

C_2v

CH₃

Methyl radical

²A₁

D_3h

CH₃^-

methyl anion

¹A₁

C_3v

CH₃⁺

methyl cation

¹A₁^'

D_3h

SiH₃

Silyl radical

²A₁

C_3v

SiH₃⁺

Silyl cation

¹A₁^'

D_3h

CH₄

Methane

¹A₁

T_d

CH₄^-

Methane anion

²A₁

T_d

CH₄^-

Methane anion

²A₁

C_3v

SiH₂D₂

silane-d2

SiH₄

Silane

¹A₁

T_d

GeH₄

Germane

¹A₁

T_d

SiH₅⁺

Silane, protonated

Nitrogen atom

⁴S

K_h

Nitrogen atom

²D

K_h

N⁺

Nitrogen atom cation

³P

K_h

Phosphorus atom

⁴S

K_h

Vanadium atom

⁴F

K_h

V⁺

Vanadium atom cation

⁵D

K_h

Arsenic atomic

⁴S

K_h

As^-

Arsenic anion

³P

K_h

As⁺

Arsenic cation

³P

K_h

phosphorus monohydride

³Σ^-

C_∞v

NH₂

Amino radical

²B₁

C_2v

NH₂⁺

Amino cation

³B₁

C_2v

NH₂⁺

Amino cation

¹A₁

C_2v

NH₃

Ammonia

¹A₁

C_3v

NH₃^-

Ammonia anion

²A₁

C_3v

NH₃⁺

ammonia cation

²A₂^"

D_3h

PH₃

Phosphine

¹A₁

C_3v

PH₃⁺

Phosphine cation

²A₁

C_3v

NH₄⁺

ammonium cation

¹A₁

T_d

PH₄

Phosphoranyl radical

PH₄⁺

phosphonium cation

Oxygen atom

³S

K_h

O⁺

Oxygen atom cation

⁴S

K_h

Sulfur atom

³P

K_h

S^-

Sulfur atom anion

²P

K_h

S⁺

Sulfur atom cation

⁴S

K_h

Hydroxyl radical

²Π

C_∞v

OH^-

hydroxide anion

¹Σ

C_∞v

OH⁺

hydoxyl cation

³Σ

C_∞v

Mercapto radical

²Π

C_∞v

HS^-

mercapto anion

¹Σ

C_∞v

HS⁺

sulfur monohydride cation

³Σ

C_∞v

CrH⁺

Chromium hydride cation

⁵Σ

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

H₂S

Hydrogen sulfide

¹A₁

C_2v

H₂S⁺

Hydrogen sulfide cation

²B₁

C_2v

H₂Se

Hydrogen selenide

¹A₁

C_2v

H₃O⁺

hydronium cation

¹A₁

C_3v

H₃S⁺

Sulfonium cation

¹A₁

C_3v

H₃Se⁺

Hydrogen Selenide, protonated

¹A₁

C_3v

Fluorine atom

²P

K_h

F^-

Fluorine atom anion

¹S

K_h

F⁺

Fluorine atom cation

³S

K_h

F⁺

Fluorine atom cation

¹D

K_h

Chlorine atom

²P

K_h

Cl^-

Chlorine atom anion

¹S

K_h

Cl⁺

Chlorine atom cation

³P

K_h

100

Cl⁺

Chlorine atom cation

¹D

K_h

101

Hydrogen fluoride

¹Σ

C_∞v

102

HCl

Hydrogen chloride

¹Σ

C_∞v

103

HCl⁺

hydrogen chloride cation

²Π

C_∞v

104

HBr

hydrogen bromide

¹Σ

C_∞v

105

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

106

H₂Br⁺

protonated hydrogen bromide

²A₁

C_2v

107

Neon atom

¹S

K_h

108

Neon atom

109

Ne⁺

Neon atom cation

²P

K_h

110

Argon atom

¹S

K_h

111

Krypton atom

¹S

K_h

112

Kr⁺

Krypton cation

²P

K_h

113

ArH⁺

Argon hydride cation

¹Σ

C_∞v

114

KrH⁺

Protonated Krypton

¹Σ

C_∞v

115

Na₂⁺

sodium diatomic cation

²Σ_g

D_∞h

116

BeMg

Beryllium Magnesium

¹Σ

C_∞v

117

NaAl

Sodium aluminum

¹Σ

C_∞v

118

BeB

Beryllium monoboride

²Π

C_∞v

119

B₂

Boron diatomic

¹Σ_g

D_∞h

120

B₂⁺

Boron diatomic cation

²Π

D_∞h

121

BAl

Boron Aluminum

³Σ

C_∞v

122

BGa

Boron Gallium

³Σ

C_∞v

123

AlGa

Aluminum Gallium

³Σ

C_∞v

124

AlGa

Aluminum Gallium

¹Σ

C_∞v

125

Ga₂

Gallium diatomic

³P_iu

126

HBBH

Diborane(2)

³Σ_G

D_∞h

127

B₂H₄

Diborane(4) D2d

¹A₁

D_2d

128

HBHHBH

Diborane(4) C2V

¹A₁

C_2v

129

B₂H₆

Diborane

¹A_g

D_2h

130

B₂H₆⁺

Diborane cation

131

Ga₂H₆

digallane

¹A_G

D_2h

132

BeC

Beryllium Carbide

³Σ^-

C_∞v

133

BeC

Beryllium Carbide

134

CaC

Calcium monocarbide

135

AlC

Aluminum carbide

⁴Σ

C_∞v

136

BSi

Boron silicide

⁴Σ

C_∞v

137

BSi

Boron silicide

²Σ

C_∞v

138

C₂

Carbon diatomic

¹Σ_g⁺

D_∞h

139

C₂

Carbon diatomic

³Σ_g^-

140

C₂⁺

carbon diatomic cation

⁴Σ_g

D_∞h

141

SiGe

Silicon Germanium

142

C₂H

Ethynyl radical

²Σ

C_∞v

143

C₂H₂

Acetylene

¹Σ_g

D_∞h

144

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

145

H₂CC^-

vinylidene anion

146

CH₃Li

methyl lithium

¹A₁

C_3v

147

CH₂BH

methyleneborane

¹A₁

C_2v

148

C₂H₃

vinyl

²A^'

C_s

149

C₂H₃^-

vinyl anion

¹A^'

C_s

150

C₂H₄

Ethylene

¹A_g

D_2h

151

C₂H₄^-

Ethylene anion

²A_g

C_2h

152

C₂H₄⁺

Ethylene cation

²B₃

D₂

153

CH₃BH₂

methylborane

¹A^'

C_s

154

C₂H₅

Ethyl radical

²A^'

C_s

155

C₂H₆

Ethane

¹A_1g

D_3d

156

LiP

Lithium monophosphide

157

LiP

Lithium monophosphide

158

BeN⁺

Beryllium mononitride cation

³Σ

C_∞v

159

BeN⁺

Beryllium mononitride cation

¹Σ

C_∞v

160

MgN

Magnesium Nitride

161

Boron monophosphide

³Π

C_∞v

162

Boron monophosphide

¹Σ

C_∞v

163

AlP

Aluminum monophosphide

³Σ

C_∞v

164

AlP

Aluminum monophosphide

³Π

C_∞v

165

AlP

Aluminum monophosphide

¹Σ

C_∞v

166

GaN

Gallium mononitride

¹Σ

C_∞v

167

GaP

Gallium monophosphide

³Σ

C_∞v

168

GaP

Gallium monophosphide

¹Σ

C_∞v

169

GaAs

Gallium arsenide

³Π

170

GaAs

Gallium arsenide

¹Σ

171

boron nitride

³Π

C_∞v

172

boron nitride

¹Σ

C_∞v

173

Cyano radical

²Σ

C_∞v

174

CN^-

cyanide anion

¹Σ

C_∞v

175

SiP

Silicon monophosphide

²Π

C_∞v

176

N₂

Nitrogen diatomic

¹Σ_g

D_∞h

177

N₂^-

nitrogen diatomic anion

²Π_g

D_∞h

178

HCN

Hydrogen cyanide

¹Σ

C_∞v

179

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

180

HNC⁺

hydrogen isocyanide cation

181

NNH⁺

Dinitrogen monohydride cation

¹Σ

C_∞v

182

N₂H₂

(E)-diazene

¹A_g

C_2h

183

N₂H₂

(Z)-Diazene

¹A₁

C_2v

184

N₂H₂⁺

trans-diazene cation

²A_G

C_2h

185

CH₂NH⁺

Methanimine cation

186

CH₂NH₂⁺

methyleneamine cation

¹A₁

C_2v

187

N₂H₄⁺

hydrazine cation

²A_G

C_2h

188

CH₃NH₂

methyl amine

¹A^'

C_s

189

CH₃NH₂⁺

methyl amine cation

²A^'

C_s

190

BH₃PH₃

borane phosphine

191

NH₃NH₃

Ammonia Dimer

¹A_g

C_2h

192

N₂H₇⁺

ammonia ammonium dimer

193

LiO

lithium oxide

²Σ

C_∞v

194

LiS

Lithium monosulfide

²Π

C_∞v

195

LiS⁺

Lithium sulfide cation

³Σ

C_∞v

196

NaO

sodium monoxide

²Σ

C_∞v

197

NaS

Sodium sulfide

²Π

C_∞v

198

CaS

Calcium sulfide

¹Σ

C_∞v

199

boron monoxide

²Σ

C_∞v

200

ScO

Scandium monoxide

²Σ

C_∞v

201

Carbon monoxide

¹Σ

C_∞v

202

CO^-

carbon monoxide anion

²Π

C_∞v

203

CO⁺

carbon monoxide cation

²Σ

C_∞v

204

TiO

Titanium monoxide

³Δ

C_∞v

205

GeO⁺

Germanium monoxide cation

²Σ

C_∞v

206

GeS

Germanium monosulfide

¹Σ

C_∞v

207

SiSe

Silicon Monoselenide

208

SiSe⁺

Silicon Monoselenide cation

209

Nitric oxide

²Π

C_∞v

210

NO^-

nitric oxide anion

³Σ

C_∞v

211

NO⁺

nitric oxide cation

¹Σ

C_∞v

212

Mononitrogen monosulfide

²Π

C_∞v

213

Phosphorus monoxide

²Π

C_∞v

214

phosphorus sulfide

²Σ

C_∞v

215

Vanadium monoxide

⁴Σ^-

216

NSe

Nitrogen monoselenide

²Π

C_∞v

217

AsS

Arsenic monosulfide

²Π

C_∞v

218

PSe

Phosphorus monoselenide

²Π

C_∞v

219

AsSe

Arsenic monoselenide

²Π

C_∞v

220

O₂

Oxygen diatomic

³Σ_g

D_∞h

221

O₂^-

oxygen diatomic anion

²Π

D_∞h

222

SO⁺

sulfur monoxide cation

²Π

C_∞v

223

S₂

Sulfur diatomic

³Σ_g

D_∞h

224

LiOH

lithium hydroxide

¹Σ

C_∞v

225

BeOH

beryllium monohydroxide

²A^'

C_s

226

BeOH

beryllium monohydroxide

²Σ

C_∞v

227

HBO

Boron hydride oxide

¹Σ

C_∞v

228

COH

Hydroxymethylidyne

229

COH⁺

Carbon Monoxide, protonated

¹Σ

C_∞v

230

HCO^-

formyl anion

¹A^'

C_s

231

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

232

NOH

Hydroxyimidogen

³A^"

C_s

233

NOH⁺

O-protonated nitric oxide

²A^'

C_s

234

HO₂

Hydroperoxy radical

²A^"

C_s

235

HO₂⁺

Hydroperoxy cation

³A^"

C_s

236

HSO⁺

Sulfur Monoxide, S-protonated

237

SOH⁺

Sulfur Monoxide, protonated

238

H₂CO

Formaldehyde

¹A₁

C_2v

239

H₂CO^-

formaldehyde anion

²A^'

C_s

240

H₂CO⁺

formaldehyde cation

²B₂

C_2v

241

H₂CS

Thioformaldehyde

¹A₁

C_2v

242

H₂NO

nitroxide

²B₁

C_2v

243

H₂NO

nitroxide

²A^'

C_s

244

H₂O₂

Hydrogen peroxide

¹A

C₂

245

H₂O₂

Hydrogen peroxide

¹A_g

C_2h

246

H₂S₂

Disulfane

¹A

C₂

247

H₂S₂⁺

hydrogen disulfide cation

²B_g

C_2h

248

CH₂OH

Hydroxymethyl radical

²A

C₁

249

CH₃O⁺

Methoxy cation

³A₁

C_3v

250

NH₂OH

hydroxylamine

¹A^'

C_s

251

NH₂OH⁺

Hydroxylamine cation

252

CH₃OH^-

Methyl alcohol anion

²A^'

C_s

253

CH₃OH^-

Methyl alcohol anion

²A^'

CS eclipsed

254

CH₃SH

Methanethiol

¹A^'

C_s

255

CH₃SH⁺

Methanethiol cation

²A^"

C_s

256

H₂OH₂O

water dimer

¹A^'

C_s

257

LiCl

lithium chloride

¹Σ

C_∞v

258

NaF

sodium fluoride

¹Σ

C_∞v

259

NaCl

Sodium Chloride

¹Σ

C_∞v

260

MgF⁺

magnesium fluoride cation

¹Σ

C_∞v

261

ZnF

Zinc monofluoride

²Σ

C_∞v

262

Boron monofluoride

¹Σ

C_∞v

263

ScF

Scandium monofluoride

¹Σ

C_∞v

264

GaF⁺

Gallium monofluoride cation

²Σ

C_∞v

265

Fluoromethylidyne

²Π

C_∞v

266

SiF

silicon monofluoride

²Π

C_∞v

267

SiF⁺

silicon monofluoride cation

¹Σ

C_∞v

268

CBr

Carbon monobromide

²Π

C_∞v

269

NCl

nitrogen monochloride

³Σ

C_∞v

270

AsF

Arsenic monofluoride

³Σ

C_∞v

271

AsCl

Arsenic monochloride

³Σ

C_∞v

272

Oxygen monofluoride

²Π

C_∞v

273

Monosulfur monofluoride

²Π

C_∞v

274

SeF

Selenium monofluoride

²Π

C_∞v

275

SeCl

Selenium monochloride

²Π

C_∞v

276

F₂

Fluorine diatomic

¹Σ_g

D_∞h

277

F₂^-

flourine diatomic anion

²Σ_u

D_∞h

278

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

279

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

280

Cl₂

Chlorine diatomic

¹Σ_g

D_∞h

281

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

282

HCF

Fluoromethylene

¹A^'

C_s

283

HCF

Fluoromethylene

³A^"

C_s

284

HOCl⁺

hypochlorous acid cation

285

ClFH⁺

Chlorine fluoride, F-protonated

286

FClH⁺

Chlorine fluoride, Cl-protonated

287

CH₂F

fluoromethyl radical

²A

C_s

288

CH₃F

Methyl fluoride

¹A₁

C_3v

289

CH₃Cl

Methyl chloride

¹A₁

C_3v

290

NH₄Cl

Ammonium chloride

291

LiNe⁺

Lithium Neon cation

292

Ne₂⁺

Neon diatomic cation

²Σ_u

D_∞h

293

Ar₂

Argon diatomic

¹S_g

D_∞h

294

Ar₂⁺

Argon diatomic cation

²Σ_u

D_∞h

295

C₃

carbon trimer

¹Σ_g

D_∞h

296

C₃

carbon trimer

¹A₁

C_2v

297

C₃H₃

cyclopropenyl radical

²A^'

C_s

298

C₃H₅

Allyl radical

²A₂

C_2v

299

C₃H₅

Allyl radical

²A^"

C_s

300

C₃H₆

Cyclopropane

¹A₁^'

D_3h

301

CH₂CHCH₃

Propene

¹A^'

C_s

302

LiCN

lithium cyanide

¹Σ

C*V LiCN

303

LiCN

lithium cyanide

¹A^'

C_s

304

LiCN

lithium cyanide

¹Σ

C*V LiNC

305

NaCN

Sodium Cyanide

¹A

C_s

306

N₃

azide radical

²Π_g

D_∞h

307

N₃⁺

azide cation

³Σ_g

D_∞h

308

N₃⁺

azide cation

³Σ

C_∞v

309

HCCN

cyanomethylene

³A^"

C_s

310

NH₂CN

cyanamide

¹A₁

C_2v

311

CH₂CHNH

vinylazine

²A^"

CS cis

312

Li₂O

dilithium oxide

¹Σ_g

D_∞h

313

Li₂S

dilithium sulfide

¹Σ_G

D_∞h

314

Li₂S

dilithium sulfide

¹A₁

C_2v

315

CCO

Dicarbon monoxide

³Σ

C_∞v

316

CCO

Dicarbon monoxide

¹Π

C_∞v

317

NCO

isocyanato radical

²Π

C_∞v

318

N₂O

Nitrous oxide

¹Σ

C_∞v

319

N₂O^-

Nitrous oxide anion

²A^'

C_s

320

CO₂

Carbon dioxide

¹Σ_g

D_∞h

321

OCS

Carbonyl sulfide

¹Σ

C_∞v

322

TiO₂

Titanium dioxide

¹A₁

C_2v

323

SiS₂

Silicon disulfide

¹Σ_G

D_∞h

324

NO₂

Nitrogen dioxide

²A₁

C_2v

325

NO₂⁺

Nitrogen dioxide cation

¹Σ_G

D_∞h

326

O₃

Ozone

¹A₁

C_s

327

SO₂

Sulfur dioxide

¹A₁

C_2v

328

S₃

Sulfur trimer

¹A₁

C_2v

329

S₃⁺

Sulfur trimer cation

²B₂

C_2v

330

HCNO

fulminic acid

¹Σ

C_∞v

331

HCNO

fulminic acid

¹A^'

C_s

332

HNNO⁺

Nitrous oxide, N-protonated

¹A^'

C_s

333

NNOH⁺

Nitrous Oxide, O-protonated

¹A^'

C_s

334

O₃H⁺

protonated ozone

¹A^'

C_s

335

Be(OH)₂

Beryllium hydroxide

336

Be(OH)₂

Beryllium hydroxide

337

H₂COO

Dioxymethyl radical

²A^'

C_s

338

HCOOH

Formic acid

¹A^'

C_s

339

CH₂BOH

hydroxy(methylene)borane

¹A^'

C_s

340

BH₃CO

Borane carbonyl

¹A₁

C_3v

341

CH₃BO

Borane, methyloxo-

¹A₁

C_3v

342

CH₃NO

nitrosomethane

¹A^'

C_s

343

CuF₂

Copper difluoride

²Π_g

D_∞h

344

CNF

iso cyanogen fluoride

¹Σ

C_∞v

345

FCO

Carbonyl fluoride

²A^'

C_s

346

FCO⁺

Carbonyl fluoride cation

¹Σ

C_∞v

347

ClCO

carbonyl monochloride

²A^'

C_s

348

FSN

Thiazyl fluoride

¹A^'

C_s

349

CF₂

Difluoromethylene

¹A₁

D_∞h

350

CFCl

chlorofluoromethylene

¹A^'

C_s

351

OClO^-

Chlorine dioxide anion

¹A^'

C_s

352

HFCO⁺

formyl fluoride cation

²A^'

C_s

353

C₄H₄

Tetrahedrane

354

Li₃N

trilithium nitride

¹A^'

D_3h

355

C₂N₂

Cyanogen

¹Σ_g

D_∞h

356

C₄H₈

cyclobutane

¹A₁

D_2d

357

C₃O

Tricarbon monoxide

¹Σ

C_∞v

358

ONNO

NO dimer

¹A_g

trans C2H

359

NH₂COOH

Carbamic acid

¹A^'

C_s

360

NH₂CONH₂

Urea

¹A₁

C_2v

361

C₃H₆O

Oxetane

¹A₁

C_2v

362

C₃H₆O

Oxetane

¹A^'

C_s

363

BF₃

Borane, trifluoro-

¹A^'

D_3h

364

NBr₃

Nitrogen Tribromide

¹A₁

C_3v

365

BrONO₂

Bromine nitrate

¹A^'

C_s

366

C₃H₃N₃O₃

cyanuric acid

¹A₁^'

D_3h

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	h2
8	H₂^-	hydrogen diatomic anion	h2-
9	H₂⁺	Hydrogen cation	h2+
10	HD	Deuterium hydride	hd
11	H₃⁺	hydrogen trimer cation	h3+
12	He^-	Helium atom anion	he-
13	He⁺	Helium atom cation	he+
14	HeH	Helium hydride	heh
15	HeH⁺	Helium hydride cation	heh+
16	He₂⁺	helium diatomic cation	he2+
17	Li^-	Lithium atom anion	li-
18	Li⁺	Lithium atom cation	li+
19	Na^-	Sodium atom anion	na-
20	Na⁺	Sodium atom cation	na+
21	K	Potassium atom	k
22	K^-	Potassium atom anion	k-
23	K⁺	Potassium atom cation	k+
24	Cu	Copper atom	cu
25	Cu^-	Copper atom anion	cu-
26	Cu⁺	Copper atom cation	cu+
27	LiH	Lithium Hydride	lih
28	LiH^-	lithium hydride anion	lih-
29	LiH⁺	lithium hydride cation	lih+
30	NaH	sodium hydride	nah
31	NaH^-	sodium hydride anion	nah-
32	NaH⁺	sodium hydride cation	nah+
33	KH	Potassium hydride	kh
34	KH⁺	Potassium hydrogen cation	kh+
35	CuH	Copper monohydride	cuh
36	Be^-	Beryllium atom anion	be-
37	Be⁺	Beryllium atom cation	be+
38	Mg^-	Magnesium atom anion	mg-
39	Mg⁺	Magnesium atom cation	mg+
40	Ca	Calcium atom	ca
41	Ca^-	Calcium atom anion	ca-
42	Ca⁺	Calcium atom cation	ca+
43	Zn	Zinc atom	zn
44	Zn^-	Zinc atom anion	zn-
45	Zn⁺	Zinc atom cation	zn+
46	BeH	beryllium monohydride	beh
47	BeH^-	berylium monohydride anion	beh-
48	BeH⁺	beryllium monohydride cation	beh+
49	MgH^-	magnesium monohydride anion	mgh-
50	MgH⁺	magnesium monohydride cation	mgh+
51	CaH	Calcium monohydride	cah
52	CaH⁺	Calcium monohydride cation	cah+
53	TiH	Titanium monohydride	tih
54	ZnH	Zinc monohydride	znh
55	ZnH⁺	Zinc, protonated	znh+
56	BeH₂	beryllium dihydride	beh2
57	BeH₂⁺	Beryllium dihydride cation	beh2+
58	CaH₂	Calcium Hydride	cah2
59	ZnH₂	Zinc hydride	znh2
60	B^-	Boron atom anion	b-
61	Al⁺	Aluminum atom cation	al+
62	Sc⁺	Scandium cation	sc+
63	Ga	Gallium atom	ga
64	Ga^-	Gallium atom anion	ga-
65	Ga⁺	Gallium atom cation	ga+
66	BH^-	boron monohydride anion	bh-
67	BH⁺	boron monohydride cation	bh+
68	AlH	aluminum monohydride	alh
69	AlH^-	aluminum monohydride anion	alh-
70	AlH⁺	aluminum monohydride cation	alh+
71	ScH⁺	Scandium monohydride cation	sch+
72	GaH	Gallium monohydride	gah
73	BH₂	boron dihydride	bh2
74	BH₂^-	boron dihydride anion	bh2-
75	BH₂⁺	Boron dihydride cation	bh2+
76	AlH₂	aluminum dihydride	alh2
77	AlH₂^-	aluminum dihydride anion	alh2-
78	AlH₂⁺	aluminum dihydride cation	alh2+
79	BH₃	boron trihydride	bh3
80	BH₃^-	boron trihydride anion	bh3-
81	AlH₃⁺	aluminum trihydride cation	alh3+
82	GaH₃	Gallium trihydride	gah3
83	AlH₄^-	Aluminum tetrahydride anion	alh4-
84	C^-	Carbon atom anion	c-
85	C⁺	Carbon atom cation	c+
86	Si⁺	Silicon atom cation	si+
87	Ti	Titanium atom	ti
88	Ti^-	Titanium atom anion	ti-
89	Ti⁺	Titanium atom cation	ti+
90	Ge	Germanium atom	ge
91	Ge^-	Germanium anion	ge-
92	Ge⁺	Germanium cation	ge+
93	Sn	Tin atom	sn
94	Sn⁺	Tin cation	sn+
95	CH	Methylidyne	ch
96	CH^-	methylidyne anion	ch-
97	CH⁺	Methylidyne cation	ch+
98	SiH^-	silicon monohydride anion	sih-
99	SiH₂	silicon dihydride	sih2
100	SiH₂^-	silicon dihydride anion	sih2-
101	SiH₂⁺	silicon dihydride cation	sih2+
102	GeH₂^-	germylene anion	geh2-
103	SiH₃^-	Silyl anion	sih3-
104	GeH₃	Germyl radical	geh3
105	GeH₃⁺	germyl cation	geh3+
106	CD₄	methane-d4	cd4
107	CH₂D₂	methane-d2	ch2d2
108	CH₃D	methane-d	ch3d
109	CH₄⁺	Methane cation	ch4+
110	CHD₃	methane-d3	chd3
111	SiH₄⁺	Silane cation	sih4+
112	SnH₄	Stannane	snh4
113	N^-	Nitrogen atom anion	n-
114	P^-	Phosphorus atom anion	p-
115	P⁺	Phosphorus atom cation	p+
116	Sb	Antimony atom	sb
117	NH	Imidogen	nh
118	NH^-	Imidogen anion	nh-
119	NH⁺	imidogen cation	nh+
120	PH^-	phosphorus monohydride anion	ph-
121	PH⁺	phosphorus monohydride cation	ph+
122	AsH	Arsenic monohydride	ash
123	AsH⁺	Arsenic monohydride cation	ash+
124	SbH	Antimony monohydride	sbh
125	ND₂	Amidogen-d2	nd2
126	NH₂^-	amino anion	nh2-
127	PH₂	Phosphino radical	ph2
128	PH₂^-	Phosphino anion	ph2-
129	PH₂⁺	Phosphino cation	ph2+
130	AsH₂	Arsenic dihydride	ash2
131	AsH₂⁺	Arsenic dihydride cation	ash2+
132	ND₃	Ammonia-d3	nd3
133	AsH₃	Arsine	ash3
134	AsH₃⁺	Arsine cation	ash3+
135	SbH₃	Stibine	sbh3
136	AsH₄⁺	Arsonium	ash4+
137	NH₄	Ammonium radical	nh4
138	O^-	Oxygen atom anion	o-
139	Cr	Chromium atom	cr
140	Se	Selenium atom	se
141	Se^-	Selenium atom anion	se-
142	Se⁺	Selenium atom cation	se+
143	Te	Tellurium atom	te
144	Te⁺	Tellurium atom cation	te+
145	DO	Hydroxyl-d	od
146	DS	Mercapto-d	ds
147	CrH	Chromium hydride	crh
148	HSe	Selenium monohydride	hse
149	HSe^-	selenium monohydride anion	hse-
150	TeH	Telluryl radical	teh
151	D₂O	Deuterium oxide	d2o
152	D₂S	Hydrogen sulfide-d2	d2s
153	H₂S^-	Hydrogen sulfide anion	h2s-
154	H₂Se⁺	Hydrogen selenide cation	h2se+
155	H₂Te	Hydrogen Telluride	h2te
156	Mn	Manganese atom	mn
157	Br	Bromine atom	br
158	Br^-	Bromine atom anion	br-
159	Br⁺	Bromine atom cation	br+
160	I	Iodine atom	iodine
161	I^-	Iodine atom anion	iodine-
162	I⁺	Iodine atom cation	iodine+
163	DF	Hydrofluoric acid-d	df
164	HF^-	hydrogen fluoride anion	hf-
165	HF⁺	hydrogen fluoride cation	hf+
166	DCl	Hydrochloric acid-d	dcl
167	HCl^-	hydrogen chloride anion	hcl-
168	HBr^-	hydrogen bromide anion	hbr-
169	HBr⁺	hydrogen bromide cation	hbr+
170	HI	Hydrogen iodide	hi
171	HI⁺	Hydrogen iodide cation	hi+
172	H₂F⁺	dihydrogen fluoride cation	h2f+
173	H₂I⁺	Iodonium	h2i+
174	Ne^-	Neon atom anion	ne-
175	Ar^-	Argon atom anion	ar-
176	Ar⁺	Argon atom cation	ar+
177	Fe	Iron atom	fe
178	Xe	Xenon atom	xe
179	HeLi⁺	Helium Lithium cation	heli+
180	NeH	neon hydrogen	neh
181	NeH⁺	neon hydrogen cation	neh+
182	XeH⁺	Xenon, protonated	xeh+
183	H₂Ar	H2 Ar dimer	h2ar
184	Co	Cobalt atom	cobalt
185	Ni	Nickel atom	ni
186	Li₂	Lithium diatomic	li2
187	Li₂^-	lithium diatomic anion	li2-
188	Li₂⁺	lithium diatomic cation	li2+
189	NaLi	lithium sodium	lina
190	NaLi^-	lithium sodium anion	lina-
191	NaLi⁺	lithium sodium cation	lina+
192	LiK	Lithium Potassium	lik
193	Na₂	Sodium diatomic	na2
194	Na₂^-	sodium diatomic anion	na2-
195	NaK	Sodium Potassium	nak
196	NaK⁺	Sodium Potassium diatomic cation	nak+
197	K₂	Potassium diatomic	k2
198	Cu₂	Copper diatomic	cu2
199	LiBe	Lithium Beryllium	libe
200	LiMg	Lithium magnesium	limg
201	NaBe	Sodium Beryllium	nabe
202	NaMg	Sodium Magnesium	namg
203	Be₂	Beryllium diatomic	be2
204	Be₂^-	Beryllium diatomic anion	be2-
205	Be₂⁺	Beryllium diatomic cation	be2+
206	Mg₂	Magnesium diatomic	mg2
207	Mg₂^-	magnesium diatomic anion	mg2-
208	Mg₂⁺	magnesium diatomic cation	mg2+
209	Ca₂	Calcium diatomic	ca2
210	LiB	Lithium boride	lib
211	LiAl	Lithium Aluminum	lial
212	B₂	Boron diatomic	b2
213	B₂^-	Boron diatomic anion	b2-
214	Al₂	Aluminum diatomic	al2
215	Al₂^-	aluminum diatomic anion	al2-
216	Al₂⁺	aluminum diatomic cation	al2+
217	LiBH₄	Lithium borohydride	libh4
218	Al₂H₆	dialane	al2h6
219	LiC	Lithium Carbide	lic
220	BC	boron monocarbide	bc
221	BC^-	boron monocarbide anion	bc-
222	BC⁺	boron monocarbide cation	bc+
223	C₂^-	carbon diatomic anion	c2-
224	SiC	silicon monocarbide	sic
225	SiC^-	silicon monocarbide anion	sic-
226	SiC⁺	silicon monocarbide cation	sic+
227	Si₂	Silicon diatomic	si2
228	Si₂^-	silcon diatomic anion	si2-
229	Si₂⁺	silcon diatomic cation	si2+
230	GeC	Germanium monocarbide	gec
231	Ge₂	Germanium diatomic	ge2
232	C₂H^-	Ethynyl anion	c2h-
233	C₂H⁺	Ethynyl cation	c2h+
234	ZnCH₂	Zinc methylene	znch2
235	CCH₂	vinylidene	vinylidene
236	HCCH^-	acetylene anion	c2h2-
237	Si₂H₂	disilyne	si2h2
238	CuCH₃	monomethyl copper	cuch3
239	ZnCH₃	Zinc monomethyl	znch3
240	C₂H₃⁺	vinyl cation	c2h3+
241	CH₃CH	methylmethylene	ch3ch
242	CH₂SiH₂	silaethylene	ch2sih2
243	Si₂H₄	Disilene	si2h4
244	C₂H₅^-	Ethyl anion	c2h5-
245	C₂H₅⁺	Ethyl cation	c2h5+
246	C₂H₆⁺	ethane cation	c2h6+
247	CH₃SiH₃	methyl silane	ch3sih3
248	Si₂H₆	disilane	si2h6
249	GeH₃CH₃	methyl germane	geh3ch3
250	C₂H₇⁺	Ethane, protonated	c2h7+
251	LiN	Lithium Nitride	lin
252	LiN⁺	Lithium Nitride cation	lin+
253	BeN	Beryllium mononitride	ben
254	BeN^-	Beryllium mononitride anion	ben-
255	BN^-	boron nitride anion	bn-
256	AlN^-	aluminum mononitride anion	aln-
257	AlN⁺	aluminum mononitride cation	aln+
258	BN⁺	boron nitride cation	bn+
259	AlN	Aluminum nitride	aln
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⁺	diatomic nitrogen cation	n2+
271	PN	Phosphorus mononitride	pn
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	HCP⁺	Phosphaethyne cation	hcp+
286	NNH	Dinitrogen monohydride	nnh
287	HPO	Hydrogen phosphorus oxide	hpo
288	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
289	LiNH₂	lithium amide	linh2
290	HBNH	Boranimine	hbnh
291	CNH₂	Aminomethylidyne radical	cnh2
292	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
293	H₂CN	Dihydrogen cyanide radical	h2cn
294	H₂CN⁺	hydrocyanonium cation	h2cn+
295	HCNH	methyleneazane	hcnh
296	HCNH⁺	N-protonated HCN	hcnh+
297	H₂NN	Isodiazene	h2nn
298	CH₂NH	Methanimine	ch3n
299	CHNH₂	aminomethylene	chnh2
300	CHNH₂⁺	Aminocarbene cation	chnh2+
301	CH₂PH	Phosphaethene	ch3p
302	BH₂NH₂	Boranamine	bh2nh2
303	N₂H₄	Hydrazine	n2h4
304	P₂H₄	Diphosphine	p2h4
305	CH₃PH₂	Methyl phosphine	ch3ph2
306	SiH₃NH₂	Silane, amino	sih3nh2
307	N₂H₅⁺	protonated hydrazine	n2h5+
308	BH₃NH₃	borane ammonia	bh3nh3
309	CH₃NH₃	methyl ammonium radical	ch3nh3
310	CH₃NH₃⁺	protonated methylamine	ch3nh3+
311	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
312	LiO^-	lithium oxide anion	lio-
313	LiO⁺	lithium oxide cation	lio+
314	NaO^-	sodium oxide anion	nao-
315	NaO⁺	sodium oxide cation	nao+
316	KO	Potassium monoxide	ko
317	KO⁺	Potassium monoxide cation	ko+
318	CuO	Copper Monoxide	cuo
319	LiSe	Lithium monoselenide	lise
320	BeO	beryllium oxide	beo
321	BeO^-	Beryllium monoxide anion	beo-
322	BeO⁺	Beryllium monoxide cation	beo+
323	BeS	beryllium sulfide	bes
324	MgO	magnesium oxide	mgo
325	MgO^-	magnesium oxide anion	mgo-
326	MgO⁺	magnesium oxide cation	mgo+
327	CaO	Calcium monoxide	cao
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	BO^-	boron monoxide anion	bo-
336	AlO	Aluminum monoxide	alo
337	AlO^-	Aluminum monoxide anion	alo-
338	AlO⁺	aluminum monoxide cation	alo+
339	BS	boron sulfide	bs
340	BS^-	boron monosulfide anion	bs-
341	BS⁺	boron monosulfide cation	bs+
342	AlS	Aluminum sulfide	als
343	AlS^-	aluminum monosulfide anion	als-
344	AlS⁺	aluminum monosulfide cation	als+
345	GaO	Gallium monoxide	gao
346	GaS	Gallium monosulfide	gas
347	BO⁺	boron monoxide cation	bo+
348	CS	carbon monosulfide	cs
349	CS^-	carbon monosulfide anion	cs-
350	CS⁺	carbon monosulfide cation	cs+
351	SiO	Silicon monoxide	sio
352	SiO^-	silicon monoxide anion	sio-
353	SiO⁺	silicon monoxide cation	sio+
354	SiS	silicon monosulfide	sis
355	SiS^-	silicon monosulfide anion	sis-
356	SiS⁺	silicon monosulfide cation	sis+
357	CSe	Carbon monoselenide	cse
358	CSe^-	Carbon monoselenide anion	cse-
359	CSe⁺	Carbon monoselenide cation	cse+
360	GeO	Germanium monoxide	geo
361	GeSe	Germanium monoselenide	gese
362	NS^-	nitrogen sulfide anion	ns-
363	NS⁺	nitrogen sulfide cation	ns+
364	PO^-	phosphorus monoxide anion	po-
365	PO⁺	phosphorus monoxide cation	po+
366	PS^-	phosphorus monosulfide anion	ps-
367	PS⁺	phosphorus monosulfide cation	ps+
368	AsO	Arsenic monoxide	aso
369	O₂^--	dioxygen dianion	o2--
370	O₂⁺	diatomic oxygen cation	o2+
371	SO	Sulfur monoxide	so
372	SO^-	sulfur monoxide anion	so-
373	S₂^-	sulfur diatomic anion	s2-
374	S₂⁺	sulfur diatomic cation	s2+
375	SeO	Selenium monoxide	seo
376	SeO^-	selenium monoxide anion	seo-
377	SeO⁺	selenium monoxide cation	seo+
378	SeS	Selenium monosulfide	ses
379	SeS^-	selenium monosulfide anion	ses-
380	SeS⁺	selenium monosulfide cation	ses+
381	TeO	Tellurium monoxide	teo
382	Se₂	Selenium diatomic	se2
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	HBS	hydrogen boron sulfide	hbs
391	HCO	Formyl radical	hco
392	HCO⁺	Formyl cation	hco+
393	HCS	Thioformyl radical	hcs
394	HCS^-	Thioformyl anion	hcs-
395	HCS⁺	Thioformyl cation	hcs+
396	HNO	Nitrosyl hydride	hno
397	HNO^-	Nitrosyl hydride anion	hno-
398	HNS	Sulfur imide	hns
399	HNS^-	Sulfur imide anion	hns-
400	HO₂^-	Hydroperoxy anion	ho2-
401	SOH	Sulfur Hydroxide	soh
402	HS₂	Thiosulfeno radical	hs2
403	HOCH	hydroxycarbene	hoch
404	H₂CS^-	thioformaldehyde anion	h2cs-
405	H₂CS⁺	thioformaldehyde cation	h2cs+
406	H₂CSe	Selenoformaldehyde	h2cse
407	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
408	H₂OO	water oxide	h2oo
409	HOSH	hydrogen thioperoxide	hosh
410	H₂Se₂	hydrogen diselenide	h2se2
411	CH₂OH⁺	hydroxymethyl cation	ch2oh+
412	CH₃O	Methoxy radical	ch3o
413	CH₃O^-	methoxy anion	ch3o-
414	CH₃S	thiomethoxy	ch3s
415	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
416	NH₃O	Ammonia Oxide	nh3o
417	H₂POH	Phosphinous acid	h2poh
418	H₃PO	Phosphine oxide	h3po
419	NH₂SH	Thiohydroxylamine	nh2sh
420	NH₃S	sulfidoazane	nh3s
421	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
422	CH₃OH	Methyl alcohol	ch3oh
423	CH₃OH⁺	Methyl alcohol cation	ch3oh+
424	SiH₃OH	silanol	sih3oh
425	CH₃SeH	Methane selenol	ch3seh
426	NH₂OH₂⁺	protonated hydroxylamine	nh2oh2+
427	NH₃OH⁺	N-protonated hydroxylamine	nh3oh+
428	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
429	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
430	H₂ONH₃	Water Ammonia Dimer	h2onh3
431	H₅O₂⁺	Dihydroxonium ion	h5o2+
432	LiF	lithium fluoride	lif
433	LiCl^-	lithium chloride anion	licl-
434	LiCl⁺	lithium chloride cation	licl+
435	NaF^-	sodium fluoride anion	naf-
436	NaF⁺	sodium fluoride cation	naf+
437	KF	Potassium Fluoride	kf
438	NaCl^-	sodium chloride anion	nacl-
439	NaCl⁺	sodium chloride cation	nacl+
440	KCl	Potassium Chloride	kcl
441	CuF	Copper monofluoride	cuf
442	LiBr	Lithium Bromide	libr
443	LiBr^-	lithium bromide anion	libr-
444	LiBr⁺	lithium bromide cation	libr+
445	CuCl	Copper monochloride	cucl
446	NaBr	Sodium Bromide	nabr
447	NaBr^-	sodium bromide anion	nabr-
448	NaBr⁺	sodium bromide cation	nabr+
449	KBr	Potassium Bromide	kbr
450	LiI	Lithium Iodide	lii
451	NaI	Sodium Iodide	nai
452	KI	Potassium Iodide	ki
453	LiF^-	lithium fluoride anion	lif-
454	LiF⁺	lithium fluoride cation	lif+
455	BeF	Beryllium monofluoride	bef
456	BeF^-	Beryllium monofluoride anion	bef-
457	BeF⁺	Beryllium monofluoride cation	bef+
458	BeCl	beryllium monochloride	becl
459	MgF	Magnesium monofluoride	mgf
460	MgF^-	magnesium fluoride anion	mgf-
461	CaF	Calcium monofluoride	caf
462	MgCl	magnesium monochloride	mgcl
463	MgCl^-	magnesium monochloride anion	mgcl-
464	MgCl⁺	magnesium monochloride cation	mgcl+
465	CaCl	calcium monochloride	cacl
466	TiCl	Titanium Monochloride	ticl
467	ZnF^-	Zinc monofluoride anion	znf-
468	ZnF⁺	Zinc monofluoride cation	znf+
469	ZnCl	Zinc monochloride	zncl
470	CaBr	Calcium monobromide	cabr
471	BeCl^-	beryllium monochloride anion	becl-
472	BeCl⁺	beryllium monochloride cation	becl+
473	BF^-	Boron monofluoride anion	bf-
474	BF⁺	Boron monofluoride cation	bf+
475	AlF	Aluminum monofluoride	alf
476	AlF^-	Aluminum monofluoride anion	alf-
477	AlF⁺	Aluminum monofluoride cation	alf+
478	BCl	boron monochloride	bcl
479	BCl^-	boron monochloride anion	bcl-
480	BCl⁺	boron monochloride cation	bcl+
481	AlCl	Aluminum monochloride	alcl
482	AlCl^-	aluminum monochloride anion	alcl-
483	AlCl⁺	aluminum monochloride cation	alcl+
484	BBr	Boron monobromide	bbr
485	GaF	Gallium monofluoride	gaf
486	AlBr	Aluminum monobromide	albr
487	GaCl	Gallium monochloride	gacl
488	GaCl⁺	Gallium monochloride cation	gacl+
489	AlI	Aluminum monoiodide	ali
490	GaBr	Gallium monobromide	gabr
491	CF^-	carbon monofluoride anion	cf-
492	CF⁺	carbon monofluoride cation	cf+
493	CCl	carbon monochloride	ccl
494	CCl^-	carbon monochloride anion	ccl-
495	CCl⁺	carbon monochloride cation	ccl+
496	SiF^-	silicon monofluoride anion	sif-
497	SiCl	Clorosilylidyne	sicl
498	SiCl^-	silicon monochloride anion	sicl-
499	SiCl⁺	silicon monochloride cation	sicl+
500	GeF	Germanium monofluoride	gef

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

H₂^-

hydrogen diatomic anion

h2-

H₂⁺

Hydrogen cation

h2+

Deuterium hydride

H₃⁺

hydrogen trimer cation

h3+

He^-

Helium atom anion

he-

He⁺

Helium atom cation

he+

HeH

Helium hydride

heh

HeH⁺

Helium hydride cation

heh+

He₂⁺

helium diatomic cation

he2+

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

lih

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-

Be⁺

Beryllium atom cation

be+

Mg^-

Magnesium atom anion

mg-

Mg⁺

Magnesium atom cation

mg+

Calcium atom

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

ZnH⁺

Zinc, protonated

znh+

BeH₂

beryllium dihydride

beh2

BeH₂⁺

Beryllium dihydride cation

beh2+

CaH₂

Calcium Hydride

cah2

ZnH₂

Zinc hydride

znh2

B^-

Boron atom anion

Al⁺

Aluminum atom cation

al+

Sc⁺

Scandium cation

sc+

Gallium atom

Ga^-

Gallium atom anion

ga-

Ga⁺

Gallium atom cation

ga+

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 cation

sch+

GaH

Gallium monohydride

gah

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 cation

alh3+

GaH₃

Gallium trihydride

gah3

AlH₄^-

Aluminum tetrahydride anion

alh4-

C^-

Carbon atom anion

C⁺

Carbon atom cation

Si⁺

Silicon atom cation

si+

Titanium atom

Ti^-

Titanium atom anion

ti-

Ti⁺

Titanium atom cation

ti+

Germanium atom

Ge^-

Germanium anion

ge-

Ge⁺

Germanium cation

ge+

Tin atom

Sn⁺

Tin cation

sn+

Methylidyne

CH^-

methylidyne anion

ch-

CH⁺

Methylidyne cation

ch+

SiH^-

silicon monohydride anion

sih-

SiH₂

silicon dihydride

sih2

100

SiH₂^-

silicon dihydride anion

sih2-

101

SiH₂⁺

silicon dihydride cation

sih2+

102

GeH₂^-

germylene anion

geh2-

103

SiH₃^-

Silyl anion

sih3-

104

GeH₃

Germyl radical

geh3

105

GeH₃⁺

germyl cation

geh3+

106

CD₄

methane-d4

cd4

107

CH₂D₂

methane-d2

ch2d2

108

CH₃D

methane-d

ch3d

109

CH₄⁺

Methane cation

ch4+

110

CHD₃

methane-d3

chd3

111

SiH₄⁺

Silane cation

sih4+

112

SnH₄

Stannane

snh4

113

N^-

Nitrogen atom anion

114

P^-

Phosphorus atom anion

115

P⁺

Phosphorus atom cation

116

Antimony atom

117

Imidogen

118

NH^-

Imidogen anion

nh-

119

NH⁺

imidogen cation

nh+

120

PH^-

phosphorus monohydride anion

ph-

121

PH⁺

phosphorus monohydride cation

ph+

122

AsH

Arsenic monohydride

ash

123

AsH⁺

Arsenic monohydride cation

ash+

124

SbH

Antimony monohydride

sbh

125

ND₂

Amidogen-d2

nd2

126

NH₂^-

amino anion

nh2-

127

PH₂

Phosphino radical

ph2

128

PH₂^-

Phosphino anion

ph2-

129

PH₂⁺

Phosphino cation

ph2+

130

AsH₂

Arsenic dihydride

ash2

131

AsH₂⁺

Arsenic dihydride cation

ash2+

132

ND₃

Ammonia-d3

nd3

133

AsH₃

Arsine

ash3

134

AsH₃⁺

Arsine cation

ash3+

135

SbH₃

Stibine

sbh3

136

AsH₄⁺

Arsonium

ash4+

137

NH₄

Ammonium radical

nh4

138

O^-

Oxygen atom anion

139

Chromium atom

140

Selenium atom

141

Se^-

Selenium atom anion

se-

142

Se⁺

Selenium atom cation

se+

143

Tellurium atom

144

Te⁺

Tellurium atom cation

te+

145

Hydroxyl-d

146

Mercapto-d

147

CrH

Chromium hydride

crh

148

HSe

Selenium monohydride

hse

149

HSe^-

selenium monohydride anion

hse-

150

TeH

Telluryl radical

teh

151

D₂O

Deuterium oxide

d2o

152

D₂S

Hydrogen sulfide-d2

d2s

153

H₂S^-

Hydrogen sulfide anion

h2s-

154

H₂Se⁺

Hydrogen selenide cation

h2se+

155

H₂Te

Hydrogen Telluride

h2te

156

Manganese atom

157

Bromine atom

158

Br^-

Bromine atom anion

br-

159

Br⁺

Bromine atom cation

br+

160

Iodine atom

iodine

161

I^-

Iodine atom anion

iodine-

162

I⁺

Iodine atom cation

iodine+

163

Hydrofluoric acid-d

164

HF^-

hydrogen fluoride anion

hf-

165

HF⁺

hydrogen fluoride cation

hf+

166

DCl

Hydrochloric acid-d

dcl

167

HCl^-

hydrogen chloride anion

hcl-

168

HBr^-

hydrogen bromide anion

hbr-

169

HBr⁺

hydrogen bromide cation

hbr+

170

Hydrogen iodide

171

HI⁺

Hydrogen iodide cation

hi+

172

H₂F⁺

dihydrogen fluoride cation

h2f+

173

H₂I⁺

Iodonium

h2i+

174

Ne^-

Neon atom anion

ne-

175

Ar^-

Argon atom anion

ar-

176

Ar⁺

Argon atom cation

ar+

177

Iron atom

178

Xenon atom

179

HeLi⁺

Helium Lithium cation

heli+

180

NeH

neon hydrogen

neh

181

NeH⁺

neon hydrogen cation

neh+

182

XeH⁺

Xenon, protonated

xeh+

183

H₂Ar

H2 Ar dimer

h2ar

184

Cobalt atom

cobalt

185

Nickel atom

186

Li₂

Lithium diatomic

li2

187

Li₂^-

lithium diatomic anion

li2-

188

Li₂⁺

lithium diatomic cation

li2+

189

NaLi

lithium sodium

lina

190

NaLi^-

lithium sodium anion

lina-

191

NaLi⁺

lithium sodium cation

lina+

192

LiK

Lithium Potassium

lik

193

Na₂

Sodium diatomic

na2

194

Na₂^-

sodium diatomic anion

na2-

195

NaK

Sodium Potassium

nak

196

NaK⁺

Sodium Potassium diatomic cation

nak+

197

K₂

Potassium diatomic

198

Cu₂

Copper diatomic

cu2

199

LiBe

Lithium Beryllium

libe

200

LiMg

Lithium magnesium

limg

201

NaBe

Sodium Beryllium

nabe

202

NaMg

Sodium Magnesium

namg

203

Be₂

Beryllium diatomic

be2

204

Be₂^-

Beryllium diatomic anion

be2-

205

Be₂⁺

Beryllium diatomic cation

be2+

206

Mg₂

Magnesium diatomic

mg2

207

Mg₂^-

magnesium diatomic anion

mg2-

208

Mg₂⁺

magnesium diatomic cation

mg2+

209

Ca₂

Calcium diatomic

ca2

210

LiB

Lithium boride

lib

211

LiAl

Lithium Aluminum

lial

212

B₂

Boron diatomic

213

B₂^-

Boron diatomic anion

b2-

214

Al₂

Aluminum diatomic

al2

215

Al₂^-

aluminum diatomic anion

al2-

216

Al₂⁺

aluminum diatomic cation

al2+

217

LiBH₄

Lithium borohydride

libh4

218

Al₂H₆

dialane

al2h6

219

LiC

Lithium Carbide

lic

220

boron monocarbide

221

BC^-

boron monocarbide anion

bc-

222

BC⁺

boron monocarbide cation

bc+

223

C₂^-

carbon diatomic anion

c2-

224

SiC

silicon monocarbide

sic

225

SiC^-

silicon monocarbide anion

sic-

226

SiC⁺

silicon monocarbide cation

sic+

227

Si₂

Silicon diatomic

si2

228

Si₂^-

silcon diatomic anion

si2-

229

Si₂⁺

silcon diatomic cation

si2+

230

GeC

Germanium monocarbide

gec

231

Ge₂

Germanium diatomic

ge2

232

C₂H^-

Ethynyl anion

c2h-

233

C₂H⁺

Ethynyl cation

c2h+

234

ZnCH₂

Zinc methylene

znch2

235

CCH₂

vinylidene

236

HCCH^-

acetylene anion

c2h2-

237

Si₂H₂

disilyne

si2h2

238

CuCH₃

monomethyl copper

cuch3

239

ZnCH₃

Zinc monomethyl

znch3

240

C₂H₃⁺

vinyl cation

c2h3+

241

CH₃CH

methylmethylene

ch3ch

242

CH₂SiH₂

silaethylene

ch2sih2

243

Si₂H₄

Disilene

si2h4

244

C₂H₅^-

Ethyl anion

c2h5-

245

C₂H₅⁺

Ethyl cation

c2h5+

246

C₂H₆⁺

ethane cation

c2h6+

247

CH₃SiH₃

methyl silane

ch3sih3

248

Si₂H₆

disilane

si2h6

249

GeH₃CH₃

methyl germane

geh3ch3

250

C₂H₇⁺

Ethane, protonated

c2h7+

251

LiN

Lithium Nitride

lin

252

LiN⁺

Lithium Nitride cation

lin+

253

BeN

Beryllium mononitride

ben

254

BeN^-

Beryllium mononitride anion

ben-

255

BN^-

boron nitride anion

bn-

256

AlN^-

aluminum mononitride anion

aln-

257

AlN⁺

aluminum mononitride cation

aln+

258

BN⁺

boron nitride cation

bn+

259

AlN

Aluminum nitride

aln

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⁺

diatomic nitrogen cation

n2+

271

Phosphorus mononitride

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

HCP⁺

Phosphaethyne cation

hcp+

286

NNH

Dinitrogen monohydride

nnh

287

HPO

Hydrogen phosphorus oxide

hpo

288

HPO⁺

Hydrogen phosphorus oxide cation

hpo+

289

LiNH₂

lithium amide

linh2

290

HBNH

Boranimine

hbnh

291

CNH₂

Aminomethylidyne radical

cnh2

292

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

293

H₂CN

Dihydrogen cyanide radical

h2cn

294

H₂CN⁺

hydrocyanonium cation

h2cn+

295

HCNH

methyleneazane

hcnh

296

HCNH⁺

N-protonated HCN

hcnh+

297

H₂NN

Isodiazene

h2nn

298

CH₂NH

Methanimine

ch3n

299

CHNH₂

aminomethylene

chnh2

300

CHNH₂⁺

Aminocarbene cation

chnh2+

301

CH₂PH

Phosphaethene

ch3p

302

BH₂NH₂

Boranamine

bh2nh2

303

N₂H₄

Hydrazine

n2h4

304

P₂H₄

Diphosphine

p2h4

305

CH₃PH₂

Methyl phosphine

ch3ph2

306

SiH₃NH₂

Silane, amino

sih3nh2

307

N₂H₅⁺

protonated hydrazine

n2h5+

308

BH₃NH₃

borane ammonia

bh3nh3

309

CH₃NH₃

methyl ammonium radical

ch3nh3

310

CH₃NH₃⁺

protonated methylamine

ch3nh3+

311

CH₃PH₃⁺

methyl phosphine, protonated

ch3ph3+

312

LiO^-

lithium oxide anion

lio-

313

LiO⁺

lithium oxide cation

lio+

314

NaO^-

sodium oxide anion

nao-

315

NaO⁺

sodium oxide cation

nao+

316

Potassium monoxide

317

KO⁺

Potassium monoxide cation

ko+

318

CuO

Copper Monoxide

cuo

319

LiSe

Lithium monoselenide

lise

320

BeO

beryllium oxide

beo

321

BeO^-

Beryllium monoxide anion

beo-

322

BeO⁺

Beryllium monoxide cation

beo+

323

BeS

beryllium sulfide

bes

324

MgO

magnesium oxide

mgo

325

MgO^-

magnesium oxide anion

mgo-

326

MgO⁺

magnesium oxide cation

mgo+

327

CaO

Calcium monoxide

cao

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

BO^-

boron monoxide anion

bo-

336

AlO

Aluminum monoxide

alo

337

AlO^-

Aluminum monoxide anion

alo-

338

AlO⁺

aluminum monoxide cation

alo+

339

boron sulfide

340

BS^-

boron monosulfide anion

bs-

341

BS⁺

boron monosulfide cation

bs+

342

AlS

Aluminum sulfide

als

343

AlS^-

aluminum monosulfide anion

als-

344

AlS⁺

aluminum monosulfide cation

als+

345

GaO

Gallium monoxide

gao

346

GaS

Gallium monosulfide

gas

347

BO⁺

boron monoxide cation

bo+

348

carbon monosulfide

349

CS^-

carbon monosulfide anion

cs-

350

CS⁺

carbon monosulfide cation

cs+

351

SiO

Silicon monoxide

sio

352

SiO^-

silicon monoxide anion

sio-

353

SiO⁺

silicon monoxide cation

sio+

354

SiS

silicon monosulfide

sis

355

SiS^-

silicon monosulfide anion

sis-

356

SiS⁺

silicon monosulfide cation

sis+

357

CSe

Carbon monoselenide

cse

358

CSe^-

Carbon monoselenide anion

cse-

359

CSe⁺

Carbon monoselenide cation

cse+

360

GeO

Germanium monoxide

geo

361

GeSe

Germanium monoselenide

gese

362

NS^-

nitrogen sulfide anion

ns-

363

NS⁺

nitrogen sulfide cation

ns+

364

PO^-

phosphorus monoxide anion

po-

365

PO⁺

phosphorus monoxide cation

po+

366

PS^-

phosphorus monosulfide anion

ps-

367

PS⁺

phosphorus monosulfide cation

ps+

368

AsO

Arsenic monoxide

aso

369

O₂^--

dioxygen dianion

o2--

370

O₂⁺

diatomic oxygen cation

o2+

371

Sulfur monoxide

372

SO^-

sulfur monoxide anion

so-

373

S₂^-

sulfur diatomic anion

s2-

374

S₂⁺

sulfur diatomic cation

s2+

375

SeO

Selenium monoxide

seo

376

SeO^-

selenium monoxide anion

seo-

377

SeO⁺

selenium monoxide cation

seo+

378

SeS

Selenium monosulfide

ses

379

SeS^-

selenium monosulfide anion

ses-

380

SeS⁺

selenium monosulfide cation

ses+

381

TeO

Tellurium monoxide

teo

382

Se₂

Selenium diatomic

se2

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

HBS

hydrogen boron sulfide

hbs

391

HCO

Formyl radical

hco

392

HCO⁺

Formyl cation

hco+

393

HCS

Thioformyl radical

hcs

394

HCS^-

Thioformyl anion

hcs-

395

HCS⁺

Thioformyl cation

hcs+

396

HNO

Nitrosyl hydride

hno

397

HNO^-

Nitrosyl hydride anion

hno-

398

HNS

Sulfur imide

hns

399

HNS^-

Sulfur imide anion

hns-

400

HO₂^-

Hydroperoxy anion

ho2-

401

SOH

Sulfur Hydroxide

soh

402

HS₂

Thiosulfeno radical

hs2

403

HOCH

hydroxycarbene

hoch

404

H₂CS^-

thioformaldehyde anion

h2cs-

405

H₂CS⁺

thioformaldehyde cation

h2cs+

406

H₂CSe

Selenoformaldehyde

h2cse

407

H₂O₂⁺

Hydrogen peroxide cation

h2o2+

408

H₂OO

water oxide

h2oo

409

HOSH

hydrogen thioperoxide

hosh

410

H₂Se₂

hydrogen diselenide

h2se2

411

CH₂OH⁺

hydroxymethyl cation

ch2oh+

412

CH₃O

Methoxy radical

ch3o

413

CH₃O^-

methoxy anion

ch3o-

414

CH₃S

thiomethoxy

ch3s

415

H₂CSH⁺

Thioformaldehyde, protonated

h2csh+

416

NH₃O

Ammonia Oxide

nh3o

417

H₂POH

Phosphinous acid

h2poh

418

H₃PO

Phosphine oxide

h3po

419

NH₂SH

Thiohydroxylamine

nh2sh

420

NH₃S

sulfidoazane

nh3s

421

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

422

CH₃OH

Methyl alcohol

ch3oh

423

CH₃OH⁺

Methyl alcohol cation

ch3oh+

424

SiH₃OH

silanol

sih3oh

425

CH₃SeH

Methane selenol

ch3seh

426

NH₂OH₂⁺

protonated hydroxylamine

nh2oh2+

427

NH₃OH⁺

N-protonated hydroxylamine

nh3oh+

428

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

429

CH₃SH₂⁺

protonated methylsulfide

ch3sh2+

430

H₂ONH₃

Water Ammonia Dimer

h2onh3

431

H₅O₂⁺

Dihydroxonium ion

h5o2+

432

LiF

lithium fluoride

lif

433

LiCl^-

lithium chloride anion

licl-

434

LiCl⁺

lithium chloride cation

licl+

435

NaF^-

sodium fluoride anion

naf-

436

NaF⁺

sodium fluoride cation

naf+

437

Potassium Fluoride

438

NaCl^-

sodium chloride anion

nacl-

439

NaCl⁺

sodium chloride cation

nacl+

440

KCl

Potassium Chloride

kcl

441

CuF

Copper monofluoride

cuf

442

LiBr

Lithium Bromide

libr

443

LiBr^-

lithium bromide anion

libr-

444

LiBr⁺

lithium bromide cation

libr+

445

CuCl

Copper monochloride

cucl

446

NaBr

Sodium Bromide

nabr

447

NaBr^-

sodium bromide anion

nabr-

448

NaBr⁺

sodium bromide cation

nabr+

449

KBr

Potassium Bromide

kbr

450

LiI

Lithium Iodide

lii

451

NaI

Sodium Iodide

nai

452

Potassium Iodide

453

LiF^-

lithium fluoride anion

lif-

454

LiF⁺

lithium fluoride cation

lif+

455

BeF

Beryllium monofluoride

bef

456

BeF^-

Beryllium monofluoride anion

bef-

457

BeF⁺

Beryllium monofluoride cation

bef+

458

BeCl

beryllium monochloride

becl

459

MgF

Magnesium monofluoride

mgf

460

MgF^-

magnesium fluoride anion

mgf-

461

CaF

Calcium monofluoride

caf

462

MgCl

magnesium monochloride

mgcl

463

MgCl^-

magnesium monochloride anion

mgcl-

464

MgCl⁺

magnesium monochloride cation

mgcl+

465

CaCl

calcium monochloride

cacl

466

TiCl

Titanium Monochloride

ticl

467

ZnF^-

Zinc monofluoride anion

znf-

468

ZnF⁺

Zinc monofluoride cation

znf+

469

ZnCl

Zinc monochloride

zncl

470

CaBr

Calcium monobromide

cabr

471

BeCl^-

beryllium monochloride anion

becl-

472

BeCl⁺

beryllium monochloride cation

becl+

473

BF^-

Boron monofluoride anion

bf-

474

BF⁺

Boron monofluoride cation

bf+

475

AlF

Aluminum monofluoride

alf

476

AlF^-

Aluminum monofluoride anion

alf-

477

AlF⁺

Aluminum monofluoride cation

alf+

478

BCl

boron monochloride

bcl

479

BCl^-

boron monochloride anion

bcl-

480

BCl⁺

boron monochloride cation

bcl+

481

AlCl

Aluminum monochloride

alcl

482

AlCl^-

aluminum monochloride anion

alcl-

483

AlCl⁺

aluminum monochloride cation

alcl+

484

BBr

Boron monobromide

bbr

485

GaF

Gallium monofluoride

gaf

486

AlBr

Aluminum monobromide

albr

487

GaCl

Gallium monochloride

gacl

488

GaCl⁺

Gallium monochloride cation

gacl+

489

AlI

Aluminum monoiodide

ali

490

GaBr

Gallium monobromide

gabr

491

CF^-

carbon monofluoride anion

cf-

492

CF⁺

carbon monofluoride cation

cf+

493

CCl

carbon monochloride

ccl

494

CCl^-

carbon monochloride anion

ccl-

495

CCl⁺

carbon monochloride cation

ccl+

496

SiF^-

silicon monofluoride anion

sif-

497

SiCl

Clorosilylidyne

sicl

498

SiCl^-

silicon monochloride anion

sicl-

499

SiCl⁺

silicon monochloride cation

sicl+

500

GeF

Germanium monofluoride

gef

501

GeF⁺

Germanium monofluoride cation

gef+

502

GeCl

Germanium monochloride

gecl

503

GeCl⁺

Germanium monochloride cation

gecl+

504

SiBr

Silicon monobromide

sibr

505

SiBr⁺

Silicon monobromide cation

sibr+

506

nitrogen fluoride

507

NF^-

nitrogen monofluorine anion

nf-

508

NF⁺

nitrogen monofluoirde cation

nf+

509

NCl^-

nitrogen monochloride anion

ncl-

510

NCl⁺

nitrogen monochloride cation

ncl+

511

phosphorus monofluoride

512

PF^-

phosphorus monofluoride anion

pf-

513

PF⁺

phosphorus monofluoride cation

pf+

514

PCl

phosphorus chloride

pcl

515

PCl^-

phosphorus monochloride anion

pcl-

516

PCl⁺

phosphorus monochloride cation

pcl+

517

NBr

nitrogen monobromide

nbr

518

PBr

Phosphorus monobromide

pbr

519

SbF

Antimony monofluoride

sbf

520

SbCl

Antimony monochloride

sbcl

521

FO^-

flourine oxide anion

fo-

522

FO⁺

fluorine monoxide cation

fo+

523

ClO

Monochlorine monoxide

clo

524

ClO^-

chlorine monoxide anion

clo-

525

ClO⁺

chlorine monoxide cation

clo+

526

SF^-

sulfur monofluoride anion

sf-

527

SF⁺

sulfur monofluoride cation

sf+

528

SCl

sulfur monochloride

scl

529

SCl^-

sulfur monochloride anion

scl-

530

SCl⁺

sulfur monochloride cation

scl+

531

BrO

Bromine monoxide

bro

532

BrO^-

Bromine monoxide anion

bro-

533

BrO⁺

Bromine monoxide cation

bro+

534

SBr

Sulfur monobromide radical

sbr

535

SBr⁺

Sulfur monobromide cation

sbr+

536

Iodine monoxide

537

SeBr

Selenium monobromide

sebr

538

BrCl

Bromine monochloride

brcl

539

ClF^-

clorine monofluoride anion

clf-

540

ClF⁺

clorine monofluoride cation

clf+

541

Cl₂^-

chlorine diatomic anion

cl2-

542

BrF

Bromine monofluoride

brf

543

BrF^-

bromine fluoride anion

brf-

544

BrF⁺

bromine fluoride cation

brf+

545

BrCl^-

bromine chloride anion

brcl-

546

BrCl⁺

bromine chloride cation

brcl+

547

Iodine monofluoride

548

Br₂

Bromine diatomic

br2

549

Br₂^-

bromine diatomic anion

br2-

550

Br₂⁺

bromine diatomic cation

br2+

551

ICl

Iodine monochloride

icl

552

IBr

Iodine monobromide

ibr

553

I₂

Iodine diatomic

554

I₂⁺

Iodine diatomic cation

i2+

555

HCCl

Chloromethylene

hccl

556

HSiF

fluorosilylene

hsif

557

HSiCl

Chlorosilylene

hsicl

558

HSiBr

monobromosilylene

hsibr

559

CHBr

bromomethylene

chbr

560

HOF

Hypofluorous acid

hfo

561

DOCl

Hypochlorous acid-d

docl

562

HOCl

hypochlorous acid

hocl

563

HOBr

Hypobromous acid

hobr

564

HOBr⁺

Hypobromous acid cation

hobr+

565

HOI

Hypoiodous acid

hoi

566

F₂H⁺

Fluorine, protonated

f2h+

567

FHF

Hydrogen difluoride

fhf

568

FHF^-

Hydrogen difluoride anion

fhf-

569

Cl₂H⁺

Chlorine, protonated

cl2h+

570

CH₂Br

bromomethyl radical

ch2br

571

CH₂F⁺

fluoromethyl cation

ch2f+

572

CH₂Cl⁺

chloromethyl cation

ch2cl+

573

CH₂Cl

chloromethyl radical

ch2cl

574

NH₂F

monofluoroamine

nh2f

575

NH₂Cl

chloramine

nh2cl

576

H₂F₂

Hydrogen fluoride dimer

h2f2

577

CH₃F⁺

methyl fluoride cation

ch3f+

578

CD₃F

methylfluoride-d3

cd3f

579

CD₃Cl

methyl chloride d3

cd3cl

580

CH₃Cl⁺

Methyl chloride cation

ch3cl+

581

SiH₃F

monofluorosilane

sih3f

582

SiH₃Cl

chlorosilane

sih3cl

583

CH₃Br

methyl bromide

ch3br

584

GeH₃F

monofluorogermane

geh3f

585

GeH₃Cl

monochlorogermane

geh3cl

586

SiH₃Br

bromosilane

sih3br

587

CH₃I

methyl iodide

ch3i

588

SiH₃I

Silyl Iodide

sih3i

589

NH₃Cl⁺

protonated monochloroammonia

nh3cl+

590

CH₃ClH⁺

methyl chloride, protonated

ch3clh+

591

Ne₂

Neon diatomic

ne2

592

Li₃

Lithium trimer

li3

593

C₃⁺

carbon trimer cation

c3+

594

SiC₂

Silicon dicarbide

sic2

595

C₃H₃

Propargyl radical

propargyl

596

C₃H₃^-

Propargyl anion

c3h3-

597

C₃H₃⁺

cyclopropenyl cation

cpr+

598

C₃H₃⁺

Propargyl cation

c3h3+

599

C₃H₄

cyclopropene

cprop

600

CH₂CCH₂

allene

601

CH₃CCH

propyne

602

C₃H₅⁺

Allyl cation

allyl+

603

CH₃CHCH

1-propenyl radical

ch3chch

604

Zn(CH₃)₂

dimethyl zinc

dmz

605

C₃H₇

n-Propyl radical

npropyl

606

C₃H₇⁺

cyclopropane, protonated

c3h7+

607

CH₃CHCH₃

Isopropyl radical

isopropyl

608

CH₃CHCH₃⁺

Isopropyl cation

prop2yl+

609

C₃H₈

Propane

propane

610

SiH₂(CH₃)₂

dimethylsilane

dms

611

Si₃H₈

trisilane

si3h8

612

KCN

Potassium cyanide

kcn

613

CuCN

Copper cyanide

cucn

614

ZnCN

Zinc monocyanide

zncn

615

ZnNC

Zinc isocyanide

znnc

616

AlCN

Aluminum monocyanide

alcn

617

AlNC

Aluminum isocyanide

alnc

618

CN₂

3H-Diazirin-3-ylidene

cn2

619

CNN

Diazocarbene

cnn

620

NCN

Cyanoimidogen

ncn

621

N₃^-

azide anion

n3-

622

HCNN

diazomethyl radical

hcnn

623

HN₃

hydrogen azide

hn3

624

HN₃⁺

Hydrazoic acid cation

hn3+

625

HNCNH

diiminomethane

hncnh

626

CH₂N₂

diazirine

ch2n2

627

CH₂NN

diazomethane

ch2nn

628

HNNNH⁺

1,2-Triazadienium

n2h3+

629

NH₂NN⁺

hydrazoic acid, protonated

nh2nn+

630

CH₃CN

Acetonitrile

ch3cn

631

CH₃CN^-

acetonitrile anion

ch3cn-

632

CH₃CN⁺

Acetonitrile cation

ch3cn+

633

CH₃NC

methyl isocyanide

ch3nc

634

CHNCH₂

2H-Azirine

c157164

635

CHNHCH

1H-Azirine

chnhch

636

H₂CCNH

Ethenimine

ch2cnh

637

H₂CNCH

methyleneaminomethylene

ch2nch

638

HCCNH₂

Ethynamine

hccnh2

639

HCNCH₂⁺

2H-Azirine cation

hcnch2+

640

HNCNH₂⁺

diiminomethane, protonated

hncnh2+

641

NCNH₃⁺

Cyanamide, protonated

ncnh3+

642

NH₂CNH⁺

cyanamide, cn protonated

nh2cnh+

643

NH₃CN⁺

cyanamide, amine protonated

nh3cn+

644

CH₃CHN

methylmethaniminyl radical

ch3chn

645

NHCHNH₂

aminomethanimine

cn2h4

646

C₂H₅N

Aziridine

c2h5n

647

CH₂CHNH₂

aminoethene

648

CH₂NCH₃

N-methylmethanimine

nmm

649

CH₃CHNH

ethanimine

650

NH₂BHNH₂

diaminoborane

nh2bhnh2

651

C₂H₅NH⁺

Protonated Aziridine

c2h5nh+

652

C₂H₆N⁺

aziridine, protonated

c2h6n+

653

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

654

CH₃CH₂NH₂

Ethylamine

etam

655

CH₃NHCH₃

Dimethylamine

ch3nhch3

656

CH₃PHCH₃

dimethylphosphine

ch3phch3

657

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

658

(CH₃)₂NH₂⁺

dimethylammonium cation

dmam

659

CH₃CH₂NH₃⁺

ethylamine, protonated

pea

660

Li₂O⁺

dilithium oxide cation

li2o+

661

Na₂S

Sodium sulfide

na2s

662

LiO₂

Lithium dioxide

lio2

663

NaO₂

Sodium superoxide

nao2

664

CNO^-

fulminate

cno-

665

NCO^-

cyanate

nco-

666

SCN

thiocyanato radical

scn

667

SCN^-

thiocyanide anion

scn-

668

BO₂

Boron dioxide

bo2

669

BO₂^-

Boron dioxide anion

bo2-

670

BO₂⁺

Boron dioxide cation

bo2+

671

N₂O⁺

Nitrous oxide cation

n2o+

672

NNS

Nitrogen sulfide

nns

673

PPO

Phosphorus oxide phosphide

ppo

674

CO₂^-

Carbon dioxide anion

co2-

675

CO₂⁺

Carbon dioxide cation

co2+

676

OCS⁺

Carbonyl sulfide cation

cos+

677

SiO₂

silicon dioxide

sio2

678

CS₂

Carbon disulfide

cs2

679

CS₂^-

Carbon disulfide anion

cs2-

680

CS₂⁺

Carbon disulfide cation

cs2+

681

GeO₂

Germanium dioxide

geo2

682

OCSe

Carbonyl selenide

ocse

683

SCSe

Carbon sulfide selenide

scse

684

GeS₂

Germanium disulfide

ges2

685

CSe₂

Carbon diselenide

cse2

686

SCTe

Carbon sulfide Telluride

scte

687

NO₂^-

Nitrogen dioxide anion

no2-

688

NSO

sulfinyl amidogen

NSO

689

PO₂

Phosphorus dioxide

po2

690

PO₂^-

Phosphorus dioxide anion

po2-

691

PO₂⁺

Phosphorus dioxide cation

po2+

692

SNO

Nitrogen oxide sulfide

sno

693

AsO₂

Aresenic dioxide

aso2

694

O₃^-

Ozone anion

o3-

695

O₃⁺

Ozone cation

o3+

696

SO₂^-

Sulfur dioxide anion

so2-

697

SO₂⁺

Sulfur dioxide cation

so2+

698

SSO

Disulfur monoxide

sso

699

S₃^-

Sulfur trimer anion

s3-

700

SeO₂

Selenium dioxide

seo2

701

SeO₂⁺

Selenium dioxide cation

seo2+

702

TeO₂

Tellurium Dioxide

teo2

703

HCCO

ketenyl radical

ketenyl

704

CS₂H⁺

Carbon disulfide, protonated

cs2h+

705

HNCO

Isocyanic acid

hnco

706

HOCN

cyanic acid

hocn

707

HNCS

Isothiocyanic acid

hncs

708

HSCN

thiocyanic acid

hscn

709

HCO₂^-

formate anion

hco2-

710

HNNO

nitrosoazane

hnno

711

HCOO

formate neutral radical

hcoo

712

HOCO

Hydrocarboxyl radical

hoco

713

HOCO⁺

Hydrocarboxyl cation

hoco+

714

HNO₂

Nitrous acid

hno2

715

HNO₂⁺

nitrous acid cation

hno2+

716

SO₂H⁺

protonated sulfur dioxide

so2h+

717

C₂H₂O

Oxirene

oxirene

718

CH₂CO

Ketene

ch2co

719

CH₂CO⁺

Ketene cation

ch2co+

720

HCCOH

ethynol

hccoh

721

CH₂CS

Thioketene

ch2cs

722

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

723

NH₂NO

Nitrosamide

nh2no

724

CH₂O₂

Dioxirane

diox

725

H₂COO⁺

dioxymethyl cation

h2coo+

726

H₂O₃

Hydrogen trioxide

h2o3

727

HSSSH

trisulfane

hsssh

728

NaOCH₃

Sodium methoxide

naoch3

729

CH₂CHO

Vinyloxy radical

ch2cho

730

CH₂COH⁺

ketene, protonated

ch2coh+

731

CH₃CO

Acetyl radical

ch3co

732

CH₃CO^-

Acetyl anion

ch3co-

733

CH₃CO⁺

acetyl cation

ch3co+

734

CH₂NOH

formaldoxime

ch2noh

735

CHONH₂

formamide

736

CNOH₃

1,2-oxaziridine

cnoh3

737

HOCHNH

hydroxymethylimine

hochnh

738

CHSNH₂

thioformamide

chsnh2

739

NHCHSH

Methanimidothioic acid

nhchsh

740

CH₂OOH

CH2OOH radical

ch2ooh

741

CH₃OO

methylperoxy radical

ch3oo

742

CH₃OO^-

methylperoxy anion

ch3oo-

743

CH₃OO⁺

methylperoxy cation

ch3oo+

744

C₂H₄O

Ethylene oxide

c2h4o

745

C₂H₄O⁺

ethylene oxide cation

c2h4o+

746

CH₂CHOH

ethenol

ch2choh

747

CH₃CHO

Acetaldehyde

ch3cho

748

CH₃CHO⁺

acetaldehyde cation

ch3cho+

749

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

h2coch2+

750

C₂H₄S

Thiirane

thiirane

751

CH₂CHSH

Ethenethiol

ch2chsh

752

CH₃CHS

Thioacetaldehyde

ch3chs

753

H₂CONH₂⁺

protonated formamide

h2conh2+

754

NH₂CHOH⁺

Formamide, O-protonated

nh2choh+

755

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

756

CH₂(OH)₂

methanediol

ch2o2h2

757

CH₃OOH

Methyl peroxide

ch3ooh

758

CH₃SSH

Hydrogen methyl disulfide

ch3ssh

759

HSCH₂SH

Methanedithiol

ch4s2

760

H₂OH₂CO

water formaldehyde dimer

h2oh2co

761

C₂H₄OH⁺

ethylene oxide, protonated

c2h4oh+

762

CH₂CH₂OH

2-hydroxy ethyl radical

ch2ch2oh

763

CH₃CH₂O

Ethoxy radical

ethoxy

764

CH₃CHOH

1-hydroxy-ethyl radical

ch3choh

765

CH₃CHOH⁺

acetaldehyde, protonated

ch3choh+

766

CH₃OCH₂

methoxymethyl radical

ch3och2

767

NH₂CH₂OH

aminomethanol

nh2ch2oh

768

CH₃CH₂OH

Ethanol

etoh

769

CH₃OCH₃

Dimethyl ether

meome

770

CH₃CH₂SH

ethanethiol

etsh

771

CH₃SCH₃

Dimethyl sulfide

mesme

772

CH₃SCH₃⁺

dimethyl sulfide cation

mesme+

773

CH₃SeCH₃

dimethylselenide

dmse

774

CH₃OHH₂O

methanol water dimer

ch3ohh2o

775

H₂OCH₃OH

water methanol dimer

h2och3oh

776

ZnF₂

Zinc difluoride

znf2

777

FCN

Cyanogen fluoride

fcn

778

ClCN

chlorocyanogen

clcn

779

BrCN

Cyanogen bromide

brcn

780

ICN

Cyanogen iodide

icn

781

FBO

Boron monofluoride monoxide

fbo

782

BeF₂

Beryllium fluoride

bef2

783

MgF₂

Magnesium fluoride

mgf2

784

BeCl₂

Beryllium chloride

becl2

785

MgCl₂

Magnesium dichloride

mgcl2

786

CaCl₂

Calcium Chloride

cacl2

787

ZnCl₂

Zinc dichloride

zncl2

788

BeBr₂

Beryllium bromide

bebr2

789

CaBr₂

Calcium dibromide

cabr2

790

CaF₂

Calcium difluoride

caf2

791

BF₂

Boron difluoride radical

bf2

792

FNO

Nitrosyl fluoride

fno

793

ClNO

Nitrosyl chloride

clno

794

FNS

Thionitrosyl fluoride

fns

795

OPCl

Phosphorus oxychloride

opcl

796

BrNO

Nitrosyl bromide

brno

797

INO

Nitrosyl iodide

ino

798

CF₂^-

Difluoromethylene anion

cf2-

799

CF₂⁺

Difluoromethylene cation

cf2+

800

SiF₂

Silicon difluoride

sif2

801

SiF₂⁺

Silicon difluoride cation

sif2+

802

CCl₂

dichloromethylene

ccl2

803

CCl₂^-

dichloromethylene anion

ccl2-

804

CCl₂⁺

dichloromethylene cation

ccl2+

805

SiCl₂

Dichlorosilylene

sicl2

806

GeF₂

Germanium difluoride

gef2

807

GeCl₂

Germanium dichloride

gecl2

808

CBr₂

dibromomethylene

cbr2

809

FOO

Dioxygen monofluoride radical

foo

810

FOO⁺

Fluorine dioxide cation

foo+

811

ClOO

chloroperoxy radical

cloo

812

ClOO⁺

chloroperoxy cation

cloo+

813

OClO

Chlorine dioxide

oclo

814

OClO⁺

Chlorine dioxide cation

oclo+

815

ClSO

Sulfur chloride oxide

clso

816

ClS₂

Sulfur chloride

cls2

817

BrOO

Bromine dioxide

broo

818

OBrO

Bromine dioxide radical

obro

819

NF₂

Difluoroamino radical

nf2

820

NF₂⁺

Difluoroamino cation

nf2+

821

PF₂

Phosphorus difluoride

pf2

822

PF₂⁺

Phosphorus difluoride cation

pf2+

823

FClO

chlorosyl fluoride

fclo

824

F₂O

Difluorine monoxide

f2o

825

ClOF

Chlorine hypofluorite

clof

826

SF₂

sulfur difluoride

sf2

827

SF₂^-

sulfur difluoride anion

sf2-

828

SF₂⁺

sulfur difluoride cation

sf2+

829

Cl₂O

Dichlorine monoxide

cl2o

830

SCl₂

Sulfur dichloride

scl2

831

SeF₂

Selenium difluoride

sef2

832

BrOCl

Bromine hypochlorite

brocl

833

SeCl₂

Selenium Dichloride

secl2

834

SBr₂

Sulfur dibromide

sbr2

835

SeBr₂

Selenium dibromide

sebr2

836

BrOBr

Bromine oxide

brobr

837

F₃^-

trifluoride anion

f3-

838

Cl₃^-

trichloride anion

cl3-

839

Br₃^-

tribromide anion

br3-

840

I₃^-

triiodide

i3-

841

SFCl

Sulfur chloride fluoride

sfcl

842

HCCF

Fluoroacetylene

hccf

843

HCCF⁺

fluoroacetylene cation

hccf+

844

HCCCl

Chloroacetylene

hcccl

845

HCCBr

bromoacetylene

hccbr

846

HFCO

formyl fluoride

hfco

847

COHCl

Formyl chloride

cohcl

848

COHBr

Formyl bromide

cohbr

849

BHF₂

Difluoroborane

bhf2

850

BHCl₂

Borane, dichloro-

bhcl2

851

CHCl₂

dichloromethyl radical

chcl2

852

CHF₂

difluoromethyl radical

chf2

853

CHF₂⁺

difluoromethyl cation

chf2+

854

CHFCl

Chlorofluoromethyl radical

chfcl

855

CHFCl⁺

Chlorofluoromethyl cation

chfcl+

856

CHCl₂⁺

dichloromethyl cation

chcl2+

857

CHBr₂

dibromomethyl radical

chbr2

858

HOClO

Chlorous acid

hoclo

859

NHF₂

difluoramine

nhf2

860

NHCl₂

dichloroamine

nhcl2

861

CH₂F₂

Methane, difluoro-

ch2f2

862

CH₂FCl

fluorochloromethane

ch2fcl

863

SiH₂F₂

difluorosilane

sih2f2

864

CH₂Cl₂

Methylene chloride

ch2cl2

865

CH₂BrF

Methane, bromofluoro-

ch2fbr

866

CH₂BrCl

Methane, bromochloro-

ch2clbr

867

CH₂FI

fluoroiodomethane

ch2fi

868

CH₂Br₂

dibromomethane

ch2br2

869

CH₂ClI

chloroiodomethane

ch2cli

870

CH₂BrI

bromoiodomethane

ch2bri

871

CH₂I₂

Diiodomethane

ch2i2

872

SiH₂Cl₂

dichlorosilane

sih2cl2

873

CH₃MgBr

Methyl Magnesium Bromide

ch3mgbr

874

CH₂CHF

Ethene, fluoro-

ch2chf

875

CH₂CHF⁺

fluoroethene cation

ch2chf+

876

C₂H₃Cl

Ethene, chloro-

ch2chcl

877

C₂H₃Br

vinyl bromide

c2h3br

878

C₂H₃I

Vinyl iodide

c2h3i

879

CH₂FOH

fluoromethanol

ch2foh

880

CH₃OCl

methyl hypochlorite

ch3ocl

881

CH₂CH₂Cl

2-chloroethyl radical

ch2ch2cl

882

CHClCH₃

1-chloroethyl radical

chclch3

883

C₂H₅F

fluoroethane

c2h5f

884

CH₃CH₂Cl

Ethyl chloride

c2h5cl

885

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

886

C₂H₅Br

Ethyl bromide

etbr

887

C₂H₅I

Ethyl iodide

c2h5i

888

KrF₂

Krypton difluoride

krf2

889

XeF₂

Xenon difluoride

xef2

890

B₄H₁₀

Tetraborane(10)

b4h10

891

C₄

Carbon tetramer

892

C₄⁺

Carbon tetramer cation

c4+

893

C₄H₂

Diacetylene

c4h2

894

C₄H₂⁺

diacetlyene cation

c4h2+

895

C₂H₃CCH

1-Buten-3-yne

c2h3cch

896

C₄H₄

cyclobutadiene

cbd

897

H₂CCCCH₂

Butatriene

h2cccch2

898

C₄H₆

1-Methylcyclopropene

c3100047

899

C₄H₆

Cyclobutene

c822355

900

C₄H₆

Methylenecyclopropane

c6142730

901

CH₂CCHCH₃

1,2-Butadiene

butad12

902

CH₂CHCHCH₂

1,3-Butadiene

c106990

903

CH₃CCCH₃

2-Butyne

c503173

904

CHCCH₂CH₃

1-Butyne

c107006

905

CH₃CHCHCH₂

methylallyl radical

c4h7

906

C₄H₈

methylcyclopropane

mcp

907

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

908

CH₂CHCH₂CH₃

1-Butene

bute1

909

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

910

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

911

B(CH₃)₃

trimethylborane

bme3

912

Al(CH₃)₃

trimethyl aluminum

tma

913

C(CH₃)₃

Tert-butyl radical

tbutyl

914

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

915

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

916

CH₃CH(CH₃)CH₃

Isobutane

isobutane

917

CH₃CH₂CH₂CH₃

Butane

butane

918

SiH(CH₃)₃

trimethylsilane

trimsi

919

C₂N₂⁺

Cyanogen cation

c2n2+

920

P₄

Phosphorus tetramer

921

As₄

Arsenic tetramer

as4

922

HCCCN

Cyanoacetylene

hcccn

923

HCCCN⁺

Cyanoacetylene cation

hcccn+

924

H₂CNCN

cyanamide, methylene

ch2ncn

925

HNCCNH

Ethenediimine

hnccnh

926

C₃H₃N

acrylonitrile

ch2chcn

927

C₃H₃N⁺

acrylonitrile cation

ch2chcn+

928

CH₃N₃

methyl azide

ch3n3

929

NH₂CCNH₂

Diaminoacetylene

daa

930

NH₂CH₂CN

Aminoacetonitrile

aan

931

CH₃NHN₂⁺

methyl azide, protonated

ch3nhn2+

932

C₂H₅CN

ethyl cyanide

c2h5cn

933

CH₅N₃

Guanidine

guanidine

934

C₄H₆

Bicyclo[1.1.0]butane

c157335

935

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

936

H₂NCHCHNH₂

diaminoethylene

dae

937

CH₆N₃⁺

guanidinium

ch6n3+

938

C₃H₇N

Cyclopropylamine

cpram

939

CH₇N₃

triaminomethane

tam

940

C₃H₇N

Azetidine

azet

941

C₂H₈N₂

Ethylenediamine

ethdiam

942

CH₃NHNHCH₃

dimethyl hydrazine

dmh

943

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

944

N(CH₃)₃

Trimethylamine

trimeam

945

NH₂CH₂CH₂CH₃

1-Propanamine

pram1

946

P(CH₃)₃

trimethylphosphine

tmp

947

N(SiH₃)₃

trisilylamine

tsa

948

As(CH₃)₃

trimethyl arsine

tmas

949

(CH₃)₃NH⁺

protonated trimethyl amine

ptma

950

C₃H₇NH₃⁺

n-propylamine, protonated

c3h7nh2

951

Li₂O₂

dilithium dioxide

li2o2

952

Na₂O₂

disodium dioxide

na2o2

953

K₂O₂

dipotassium dioxide

k2o2

954

B₂O₂

Diboron dioxide

b2o2

955

S₂N₂

Disulfur dinitride

s2n2

956

CO₃

Carbon trioxide

co3

957

CO₃^--

carbonate

co3--

958

CS₃^--

Carbonotrithioate

cs3--

959

NO₃

Nitrogen trioxide

no3

960

NO₃^-

nitrate anion

no3-

961

NO₃⁺

nitrogen trioxide cation

no3+

962

SO₃

Sulfur trioxide

so3

963

SO₃^-

Sulfur trioxide anion

so3-

964

SO₃^--

Sulfate dianion

so3--

965

SO₃⁺

Sulfur trioxide cation

so3+

966

SeO₃

selenium trioxide

seo3

967

S₄

Sulfur tetramer

968

TeO₃

Tellurium trioxide

teo3

969

HCO₃^-

bicarbonate anion

hco3-

970

HNO₃

Nitric acid

hno3

971

HSO₃

Hydroxysulfonyl radical

hso3

972

NH₂NO₂

nitramide

nh2no2

973

C₂H₂CO

cyclopropenone

c2h2co

974

C₃H₂O

Propadienal

c3h2o

975

HCCCHO

2-propynal

hcccho

976

C₂H₂O₂

Ethanedial

c2h2o2

977

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

978

H₂CO₃

Carbonic acid

h2co3

979

H₂CS₃

thiocarbonic acid

h2cs3

980

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

981

H₂SO₃

Sulfurous acid

h2so3

982

C₂H₃NO

Nitrosoethylene

c2h3no

983

CH₃NCO

methylisocyante

ch3nco

984

HOCH₂CN

cyanomethanol

hoch2cn

985

CH₃COO^-

acetate anion

ch3coo-

986

CH₃NO₂

Methane, nitro-

ch3no2

987

CH₃ONO

Methyl nitrite

ch3ono

988

H₃BO₃

Boric acid

h3bo3

989

H₃AlO₃

Aluminum hydroxide

h3alo3

990

H₃CO₃⁺

carbonic acid, protonated

h3co3+

991

C₃H₄O

2-Propyn-1-ol

c107197

992

C₃H₄O

allenol

c9000071

993

C₃H₄O

Cyclopropanone

cpone

994

C₃H₄O

Methylketene

c6004440

995

CH₂CHCHO

Acrolein

c3h4o

996

NH₂CONH₂⁺

Urea cation

urea+

997

NH₂CSNH₂

Thiourea

thiourea

998

C₂H₄O₂

1,3-dioxetane

c2h4o2

999

CH₃COOH

Acetic acid

ch3cooh

1000

CH₃OCHO

methyl formate

ch3ocho

1001

CHOCH₂OH

hydroxy acetaldehyde

haa

1002

NH₂COOH₂⁺

Carbamic acid, O-protonated

nh2cooh2+

1003

NH₃COOH⁺

protonated Carbamic acid

nh3cooh+

1004

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

1005

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

1006

HCOOHH₂O

Formic acid water dimer

hcoohh2o

1007

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

1008

CH₃COCH₂

Acetonyl radical

ch3coch2

1009

CH₂C(OH)NH₂

1-amino vinyl alchohol

ava

1010

CH₃C(OH)=NH

Ethaninidic acid

eia

1011

CH₃CHNOH

Acetaldoxime

acetaldoxime

1012

CH₃CONH₂

Acetamide

acetamide

1013

HCONHCH₃

N-methylformamide

nmfa

1014

CH₃CSNH₂

Ethanethioamide

ch3csnh2

1015

CH₅N₂O⁺

urea, N-protonated

ch4n2o+

1016

H₂NCOHNH₂⁺

urea, protonated

ureah+

1017

C₂H₅OO

ethylperoxy radical

c2h5oo

1018

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

1019

C₃H₅OH

Cyclopropanol

cproh

1020

C₃H₆O

2-Propen-1-ol

c107186

1021

C₃H₆O

Acetone enol

enol

1022

C₃H₆O

Propylene oxide

prox

1023

CH₃CH₂CHO

Propanal

propanal

1024

CH₃COCH₃

Acetone

acetone

1025

CH₃COCH₃^-

acetone anion

ch3coch3-

1026

C₃H₆S

Thietane

thietane

1027

C₃H₆S

Thiirane, methyl-

methiirane

1028

CH₃CSCH₃

Thioacetone

ch3csch3

1029

C₂H₆O₂

1,2-Ethanediol

ethdiol

1030

CH₃OOCH₃

dimethylperoxide

dmp

1031

CH₃SOCH₃

Dimethyl sulfoxide

dmso

1032

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

1033

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

1034

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

1035

HOCH₂CH₂NH₂

monoethanolamine

mea

1036

C₃H₇OH

1-Propanol

proh

1037

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

1038

CH₃OC₂H₅

Ethane, methoxy-

etome

1039

C₃H₇SH

1-Propanethiol

prsh

1040

CH₃CHSHCH₃

2-Propanethiol

isoprsh

1041

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

1042

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

1043

Li₂F₂

Lithium fluoride dimer

li2f2

1044

Na₂F₂

Sodium Fluoride Dimer

na2f2

1045

Na₂Cl₂

Disodium dichloride

na2cl2

1046

C₂F₂

difluoroacetylene

c2f2

1047

C₂Cl₂

dichloroacetylene

c2cl2

1048

C₂Cl₂⁺

dichloroacetylene cation

c2cl2+

1049

FNO₂

Nitryl fluoride

fno2

1050

FONO

Nitrosyl hypofluorite

fono

1051

ClNO₂

Nitryl chloride

clno2

1052

ClONO

chlorine nitrite

clono

1053

BrONO

Bromine nitrite

brono

1054

N₂F₂

(Z)-Difluorodiazene

n2f2_z

1055

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

1056

CF₂O

Carbonic difluoride

f2co

1057

CF₂O⁺

Carbonic difluoride cation

f2co+

1058

COFCl

Carbonic chloride fluoride

cofcl

1059

CCl₂O

Phosgene

cl2co

1060

Cl₂CS

Thiophosgene

cl2cs

1061

COBr₂

Carbonic dibromide

cobr2

1062

BF₃^-

Borane, trifluoro- anion

bf3-

1063

BF₃⁺

boron trifluoride cation

bf3+

1064

AlF₃

Aluminum trifluoride

alf3

1065

BClF₂

Chlorodifluoroborane

bclf2

1066

AlF₂Cl

Aluminum chloride difluoride

alclf2

1067

ScF₃

Scandium trifluoride

ScF3

1068

AlFCl₂

Aluminum dichloride fluoride

alcl2f

1069

BCl₃

Borane, trichloro-

bcl3

1070

BCl₃⁺

Boron Trichloride cation

bcl3+

1071

GaF₃

Gallium trifluoride

gaf3

1072

AlCl₃

Aluminum trichloride

alcl3

1073

GaCl₃

Gallium trichloride

gacl3

1074

BBr₃

Boron tribromide

bbr3

1075

AlBr₃

Aluminum Bromide

albr3

1076

ClO₃

Chlorine trioxide

clo3

1077

ClO₃^-

chlorate anion

clo3-

1078

BrO₃^-

Bromate anion

bro3-

1079

CF₃

Trifluoromethyl radical

cf3

1080

CF₃^-

Trifluoromethyl anion

cf3-

1081

CF₃⁺

Trifluoromethyl cation

cf3+

1082

CF₂Cl

difluorochloromethyl radical

cf2cl

1083

SiF₃

Silicon trifluoride radical

sif3

1084

SiF₃⁺

Silicon trifluoride cation

sif3+

1085

CFCl₂

dichlorofluoromethyl radical

cfcl2

1086

CCl₃

Trichloromethyl radical

ccl3

1087

CCl₃^-

Trichloromethyl anion

ccl3-

1088

CCl₃⁺

Trichloromethyl cation

ccl3+

1089

SiCl₃

trichlorosilyl radical

sicl3

1090

SiCl₃⁺

trichlorosilyl cation

sicl3+

1091

CBr₃

tribromomethyl radical

cbr3

1092

FOOF

Perfluoroperoxide

foof

1093

ClO₂F

Chloryl fluoride

clo2f

1094

F₂SO

Thionyl Fluoride

f2so

1095

ClOOCl

Dichlorine dioxide

cloocl

1096

FSSF

Difluorodisulfane

fssf

1097

S₂F₂

Thio-thionyl fluoride

s2f2

1098

SOCl₂

thionyl chloride

socl2

1099

SSCl₂

Thiothionyl chloride

sscl2

1100

SeOCl₂

selenium oxychloride

seocl2

1101

NF₃

Nitrogen trifluoride

nf3

1102

NF₃^-

Nitrogen trifluoride anion

nf3-

1103

NF₃⁺

Nitrogen trifluoride cation

nf3+

1104

PF₃

Phosphorus trifluoride

pf3

1105

NCl₃

nitrogen trichloride

ncl3

1106

AsF₃

Arsenic trifluoride

asf3

1107

PCl₃

Phosphorus trichloride

pcl3

1108

SbF₃

Antimony Trifluoride

sbf3

1109

AsCl₃

Arsenous trichloride

ascl3

1110

SbCl₃

Antimony Trichloride

sbcl3

1111

PBr₃

Phosphorus tribromide

pbr3

1112

AsBr₃

Arsenic tribromide

asbr3

1113

NI₃

Nitrogen triiodide

ni3

1114

PI₃

Phosphorus triiodide

pi3

1115

ClSSCl

Disulfur dichloride

s2cl2

1116

SF₃

Sulfur trifluoride

sf3

1117

ClF₃

Chlorine trifluoride

clf3

1118

BrF₃

Bromine trifluoride

brf3

1119

IF₃

iodone trifluoride

if3

1120

HClO₃

Chloric Acid

hclo3

1121

CHF₃

Methane, trifluoro-

chf3

1122

CHF₂Cl

difluorochloromethane

chf2cl

1123

SiHF₃

trifluorosilane

sihf3

1124

CHFCl₂

fluorodichloromethane

chfcl2

1125

CDCl₃

trichloromethane-d

cdcl3

1126

CHCl₃

Chloroform

chcl3

1127

CHBrF₂

Methane, bromodifluoro-

chbrf2

1128

SiHCl₃

Trichlorosilane

sihcl3

1129

CHFClBr

fluorochlorobromomethane

chfclbr

1130

CHBrCl₂

Methane, bromodichloro-

chbrcl2

1131

CHF₂I

difluoroiodomethane

chf2i

1132

CHBr₂F

dibromofluoromethane

chbr2f

1133

CHFClI

fluorochloroiodomethane

chfcli

1134

CHCl₂I

dichloroiodomethane

chcl2i

1135

CHClBr₂

Methane, dibromochloro-

chclbr2

1136

CHBr₃

bromoform

chbr3

1137

CHI₃

Iodoform

chi3

1138

NF₃H⁺

protonated nitrogen trifluoride

nf3h+

1139

AsF₃H⁺

Arsenic trifluoride, protonated

asf3h+

1140

C₂H₂F₂

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

c2h2f2e

1141

C₂H₂F₂

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

c2h2f2z

1142

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

1143

C₂H₂ClF

1-chloro-1-fluoroethylene

c2h2clf

1144

CHFCHCl

(E)-1-chloro-2-fluoroethene

chfchcle

1145

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

chfchclz

1146

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

1147

CHClCHCl

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

chclchcle

1148

CHClCHCl

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

chclchclz

1149

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

1150

CHBrCHBr

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

chbrchbre

1151

CHBrCHBr

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

chbrchbrz

1152

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

1153

CH₃COF

Acetyl fluoride

ch3cof

1154

CH₂ClCHO

chloroacetaldehyde

ch2clcho

1155

CH₃COCl

Acetyl Chloride

ch3cocl

1156

C₂H₄F₂

1,2-difluoroethane

c2h4f2

1157

CH₃CHF₂

Ethane, 1,1-difluoro-

ch3chf2

1158

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

ch2fch2cl

1159

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

1160

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

1161

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

1162

CH₂BrCH₂Cl

1-bromo-2-chloroethane

ch2brch2cl

1163

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

ch2brch2br

1164

CH₂CFCH₃

2-fluoropropene

2fpro

1165

CH₂CHCH₂F

Allyl Fluoride

allylf

1166

CH₃CHCHF

trans-1-Fluoro-1-propene

propene1ft

1167

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

1168

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

1169

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

1170

CH₂FCH₂OH

2-fluoroethanol

ch2fch2oh

1171

CH₂ClCH₂OH

2-Chloroethanol

ch2clch2oh

1172

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

ch2clch2oh2+

1173

CH₂FCH₂CH₃

1-Fluoropropane

prf1

1174

CH₃CHFCH₃

2-Fluoropropane

prf2

1175

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

1176

CH₃CHClCH₃

Propane, 2-chloro-

prcl2

1177

CH₃CH₂CH₂Br

n-propyl bromide

prbr

1178

CH₃CHBrCH₃

i-propyl bromide

iprbr

1179

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

1180

B₅H₉

pentaborane9

b5h9

1181

C₅H₄

pentatetraene

ptrene

1182

C₅H₅

cyclopentadienyl radical

c5h5

1183

C₅H₅^-

cylopentadienyl anion

c5h5-

1184

C₅H₆

1,3-Cyclopentadiene

c542927

1185

C₅H₆

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

c78808

1186

C₅H₆

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

c2004695

1187

C₅H₆

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

c1574409

1188

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

1189

C₅H₆

Cyclopropylacetylene

c6746947

1190

C₅H₆

Propellane

propellane

1191

C₅H₇

1,3-pentadienyl radical

pdyl

1192

C₅H₇

cyclopentenyl radical

cpyl

1193

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

1194

C₅H₈

1,2-Pentadiene

c591957

1195

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

1196

C₅H₈

1,3-Pentadiene, (E)-

c2004708

1197

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

1198

C₅H₈

1,4-Pentadiene

c591935

1199

C₅H₈

1-pentyne

a1pentyne

1200

C₅H₈

2,3-Pentadiene

c591968

1201

C₅H₈

Bicyclo[1.1.1]pentane

bcp

1202

C₅H₈

Cyclobutane, methylene-

c1120565

1203

C₅H₈

Cyclopentene

c142290

1204

C₅H₈

Ethenylcyclopropane

c693867

1205

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

1206

C₅H₁₀

1-Butene, 2-methyl-

c563462

1207

C₅H₁₀

2-Butene, 2-methyl-

c513359

1208

C₅H₁₀

2-Pentene, (E)-

c646048

1209

C₅H₁₀

2-Pentene, (Z)-

c627203

1210

C₅H₁₀

Cyclopentane

c287923

1211

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

1212

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

1213

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

1214

C₅H₁₂

Butane, 2-methyl-

buta2

1215

C₅H₁₂

Pentane

pentane

1216

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

1217

Si(CH₃)₄

tetramethylsilane

tms

1218

N₂O₃

Dinitrogen trioxide

n2o3

1219

C₃H₂N₂

Malononitrile

c3h2n2

1220

CH₂N₄

1H-Tetrazole

1htz

1221

C₃H₃N₂

imidazolyl radical

1222

C₃H₃N₂^-

imidizolyl anion

im-

1223

C₂H₃N₃

1H-1,2,4-Triazole

c288880

1224

C₄H₄N

pyrrolide radical

c4h4n

1225

C₄H₄N^-

pyrrolide anion

c4h4n-

1226

C₃H₄N₂

1H-Imidazole

1himidaz

1227

C₃H₄N₂

1H-Pyrazole

1hpyraz

1228

C₃H₄N₂

2H-Imidazole

imid2h

1229

C₃H₄N₂

4H-Imidazole

imid4h

1230

C₄H₅N

(E)-2-Butenenitrile

c627269

1231

C₄H₅N

(Z)-2-Butenenitrile

c1190767

1232

C₄H₅N

2H-pyrrole

pyrrole2

1233

C₄H₅N

3H-pyrrole

pyrrole3

1234

C₄H₅N

Cyclopropanecarbonitrile

c5500210

1235

C₄H₅N

Pyrrole

pyrrole

1236

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

1237

C₄H₆N⁺

pyrrole, alpha-protonated

appyr

1238

C₄H₆N⁺

pyrrole, beta-protonated

bppyr

1239

C₄H₆N⁺

pyrrole, protonated

ppyr

1240

C₃H₆N₂

3-Aminopropionitrile

c151188

1241

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

1242

CH₃CH₂CH₂CN

Butanenitrile

c109740

1243

C₅H₈

Bicyclo[2.1.0]pentane

c185944

1244

C₅H₈

Spiropentane

c157404

1245

C₄H₉N

Cyclobutylamine

cbam

1246

C₄H₉N

Pyrrolidine

pyrrolidine

1247

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

1248

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

1249

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1250

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1251

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1252

NH(C₂H₅)₂

diethylamine

dea

1253

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1254

C₃O₂

Carbon suboxide

c3o2

1255

C₃O₂⁺

Carbon suboxide cation

c3o2+

1256

B₂O₃

diboron trioxide

b2o3

1257

MgCO₃

Magnesium Carbonate

mgco3

1258

BeCO₃

Beryllium Carbonate

beco3

1259

CaCO₃

Calcium Carbonate

caco3

1260

ONONO

Nitrosyl nitrite

onono

1261

PO₄^---

phosphate

po4---

1262

SO₄^--

sulfate

so4--

1263

HOONO₂

peroxy nitric acid

hoono2

1264

HSO₄^-

bisulfate anion

hso4-

1265

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1266

C₃H₂O₂

Propiolic acid

c3h2o2

1267

CHOCOOH

oxo acetic acid

oaa

1268

CHOOCHO

diformyl ether

choocho

1269

H₂SO₄

Sulfuric acid

h2so4

1270

H₂SeO₄

Selenic acid

h2seo4

1271

C₃H₃NO

Isoxazole

isox

1272

C₃H₃NO

Oxazole

oxazole

1273

C₃H₃NS

Thiazole

thiazole

1274

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1275

CH₃NO₃

Methyl nitrate

ch3no3

1276

H₃PO₄

Phosphoric Acid

h3po4

1277

C₄H₄O

Furan

furan

1278

C₄H₄O⁺

Furan cation

furan+

1279

CH₃COCCH

3-butyn-2-one

c1423605

1280

C₄H₄S

Thiophene

furans

1281

C₄H₄Se

selenophene

c4h4se

1282

C₃H₄O₂

β–Propiolactone

beta

1283

C₃H₄O₂

2-Propenoic acid

propenoic2

1284

C₃H₄O₂

Methyl glyoxal

megly

1285

C₃H₄O₂

propanedial

1286

C₃H₄O₂

propenalol

1287

HOCHCCHOH

allenediol

aldiol

1288

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1289

C₂H₄O₃

trioxolane124

triox

1290

HOCH₂COOH

Hydroxyacetic acid

hac

1291

CH₂CHCONH₂

Acrylamide

c79061

1292

CH₃OCH₂CN

Methoxyacetonitrile

c1738369

1293

CH₅N₃S

Hydrazinecarbothioamide

c79196

1294

H₂NCH₂COOH

Glycine

glycine

1295

CH₃SO₂NH₂

methanesulfonamide

ch3so2nh2

1296

C₄H₆O

cis-2-butenal

butenal2c

1297

C₄H₆O

Cyclobutanone

cbutone

1298

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1299

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1300

CH₂CHOCHCH₂

Vinyl ether

vinylether

1301

CHOCHCHCH₃

2-Butenal

butenal2

1302

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1303

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1304

CH₂CHSCHCH₂

Divinyl sulfide

divis

1305

C₂H₆N₂O

Urea, methyl-

c598505

1306

C₃H₆O₂

1,3-Dioxolane

dioxolane

1307

CH₃CH₂COOH

Propanoic Acid

propanoic

1308

CH₃COOCH₃

methyl acetate

aame

1309

HCOOC₂H₅

Ethyl formate

faee

1310

C₂H₆O₂S

Dimethyl sulfone

c67710

1311

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1312

C₃H₇NO

dimethylformamide

dmf

1313

C₃H₇NO

Propanamide

propanam

1314

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1315

C₄H₈O

Cyclobutanol

c2919235

1316

C₄H₈O

Furan, tetrahydro-

thf

1317

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1318

CH₃COCH₂CH₃

2-Butanone

buta2one

1319

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1320

CHOCH₂CH₂CH₃

Butanal

butanal

1321

C₄H₈S

Thiophene, tetrahydro-

tht

1322

C₃H₈O₂

1,3-Propanediol

c504632

1323

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1324

C₃H₈O₂

Methane, dimethoxy-

c109875

1325

C₃H₈O₂

Propylene glycol

c57556

1326

C₃H₈S₂

1,3-Propanedithiol

c109808

1327

C₄H₁₀O

1-Butanol

butanol1

1328

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1329

C₄H₁₀O

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

butanol2

1330

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1331

C₄H₁₀O

Ethoxy ethane

etoet

1332

C₄H₁₀O

Methyl propyl ether

meopr

1333

C₄H₁₀O

Propane, 2-methoxy-

c598538

1334

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1335

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

tbush

1336

C₂H₅SC₂H₅

Diethyl sulfide

etset

1337

C₄H₉SH

1-Butanethiol

bush

1338

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1339

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1340

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1341

FNO₃

Fluorine nitrate

fno3

1342

ClONO₂

Chlorine nitrate

clono2

1343

TiCl₄

Titanium tetrachloride

ticl4

1344

ClO₄^-

perchlorate anion

clo4-

1345

BF₄^-

tetrafluoroboron anion

bf4-

1346

ClFO₃

Perchloryl fluoride

clfo3

1347

SO₂F₂

Sulfuryl fluoride

so2f2

1348

SO₂Cl₂

Sulfuryl chloride

so2cl2

1349

F₃NO

Nitrogen trifluoride oxide

f3no

1350

F₃PO

Phosphoryl fluoride

pf3o

1351

Cl₃PO

Phosphoryl chloride

pcl3o

1352

CF₄

Carbon tetrafluoride

cf4

1353

CF₃Cl

Methane, chlorotrifluoro-

cf3cl

1354

SiF₄

Silicon tetrafluoride

sif4

1355

CF₂Cl₂

difluorodichloromethane

cf2cl2

1356

TiF₄

Titanium tetrafluoride

tif4

1357

CFCl₃

Trichloromonofluoromethane

cfcl3

1358

CF₃Br

Bromotrifluoromethane

cf3br

1359

GeF₄

Germanium tetrafluoride

gef4

1360

CCl₄

Carbon tetrachloride

ccl4

1361

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1362

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

1363

SiCl₄

Silane, tetrachloro-

sicl4

1364

CBrCl₂F

bromodichlorofluoromethane

cbrcl2f

1365

CF₃I

trifluoroiodomethane

cf3i

1366

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1367

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1368

GeCl₄

Germanium Tetrachloride

gecl4

1369

CBr₂ClF

dibromochlorofluoromethane

cbr2clf

1370

CBr₂Cl₂

dibromodichloromethane

cbr2cl2

1371

CCl₃I

trichloroiodomethane

ccl3i

1372

CFBr₃

fluorotribromomethane

cfbr3

1373

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1374

CBr₃Cl

tribromochloromethane

cbr3cl

1375

CF₂I₂

difluorodiiodomethane

cf2i2

1376

CBr₄

Carbon tetrabromide

cbr4

1377

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1378

SiBr₄

Silicon tetrabromide

sibr4

1379

CBr₃I

tribromoiododmethane

cbr3i

1380

GeBr₄

Germanium tetrabromide

gebr4

1381

CI₄

tetraiodomethane

ci4

1382

SiI₄

silicon tetraiodide

sii4

1383

ClOF₃

Chlorine trifluoride oxide

clof3

1384

SF₄

Sulfur tetrafluoride

sf4

1385

SeF₄

Selenium tetrafluoride

sef4

1386

SCl₄

Sulfur tetrachloride

scl4

1387

C₂HF₃

Trifluoroethylene

c2hf3

1388

C₂HF₃⁺

Trifluoroethylene cation

c2hf3+

1389

CHClCCl₂

Trichloroethylene

chclccl2

1390

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1391

HClO₄

perchloric acid

hclo4

1392

HSO₃F

Fluorosulfonic acid

hso3f

1393

CF₃OH

trifluoromethanol

cf3oh

1394

CH₂ClCCCl

1,3-dichloropropyne

ch2clcccl

1395

CHClCCHCl

1,3-dichloroallene

chclcchcl

1396

CHCl₂CCH

3,3-dichloropropyne

chcl2cch

1397

CHCl₂CHO

dichloroacetaldehyde

chcl2cho

1398

PF₃CH₂

phosphorane, trifluoromethylene-

pf3ch2

1399

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1400

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

ch2fchf2

1401

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

1402

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1403

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1404

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1405

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1406

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1407

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1408

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1409

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

c4h5cl

1410

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1411

CH₂FCH₂CH₂F

1,3-difluoropropane

ch2fch2ch2f

1412

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1413

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1414

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1415

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

prdicl22

1416

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1417

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1418

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1419

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1420

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1421

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

bute2cl1

1422

CH₃CClCHCH₃

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

bute2cl2e

1423

CH₃CClCHCH₃

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

bute2cl2z

1424

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1425

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1426

C₄H₉F

1-fluorobutane

butaf1

1427

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1428

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1429

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1430

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1431

XeF₄

Xenon tetrafluoride

xef4

1432

C₂H₂N₂O

Furazan

furazan

1433

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1434

NH₃BF₃

Amminetrifluoroboron

nh3bf3

1435

C₆H₂

hexatriyne

c6h2

1436

C₆H₄

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

c6h4e

1437

C₆H₄

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

c6h4z

1438

C₆H₄

Benzyne

benzyne

1439

C₆H₅

phenyl

1440

C₆H₅^-

phenyl anion

phenyl-

1441

C₆H₆

Prismane

prismane

1442

C₆H₆

1,2,4,5-Hexatetraene

ht1245

1443

C₆H₆

2,4-Hexadiyne

hexadiyne

1444

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1445

C₆H₆

Benzene

benzene

1446

C₆H₆

Benzvalene

1447

C₆H₆

Dewar Benzene

dewar

1448

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

1449

C₆H₆

Trimethylenecycopropane

tmcp

1450

C₆H₆⁺

Benzene cation

c6h6+

1451

C₆H₇⁺

benzene, protonated

c6h7+

1452

C₆H₈

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

c821078

1453

C₆H₈

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

c59660650

1454

C₆H₈

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

hexatri135

1455

C₆H₈

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

hetr234c

1456

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1457

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1458

C₆H₈

3-Methylenecyclopentene

c930267

1459

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1460

C₆H₈

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

c30830207

1461

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1462

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1463

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1464

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1465

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1466

C₆H₁₀

1,5-Hexadiene

c592427

1467

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1468

C₆H₁₀

1-Hexyne

hexyne1

1469

C₆H₁₀

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

hexdi24ee

1470

C₆H₁₀

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

hexdi24ez

1471

C₆H₁₀

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

hexdi24zz

1472

C₆H₁₀

2-Hexyne

c764352

1473

C₆H₁₀

3-Hexyne

hexyne3

1474

C₆H₁₀

cyclohexene

1475

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1476

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1477

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1478

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1479

C₆H₁₂

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

dmcb12t

1480

C₆H₁₂

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

dmcb13t

1481

C₆H₁₂

(E)-2-Hexene

e2hexene

1482

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1483

C₆H₁₂

(E)-hex-3-ene

e3hexene

1484

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1485

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1486

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1487

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1488

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1489

C₆H₁₂

3-methylenepentane

c760214

1490

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1491

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1492

C₆H₁₂

Cyclohexane

cyclohexane

1493

C₆H₁₂

Cyclopentane, methyl-

c96377

1494

C₆H₁₂

Ethylcyclobutane

c4806615

1495

C₆H₁₂

hex-1-ene

hexene1

1496

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1497

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1498

C₆H₁₄

Hexane

hexane

1499

C₆H₁₄

Pentane, 2-methyl-

penta2

1500

C₆H₁₄

Pentane, 3-methyl-

penta3

1501

C₄N₂

2-Butynedinitrile

c4n2

1502

N₃P₃

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

n3p3

1503

C₄H₂N₂

Fumaronitrile

c4h2n2

1504

C₂H₂N₄

sym-tetrazine

ttz

1505

C₃H₃N₃

1,3,5-Triazine

triazine135

1506

CH₃N₅

5-Aminotetrazole

c4418615

1507

C₄H₄N₂

1,3-Diazine

diazine13

1508

C₄H₄N₂

Pyrazine

pyrazine

1509

C₄H₄N₂

Pyridazine

pyridazine

1510

C₄H₄N₂

Succinonitrile

c110612

1511

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1512

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1513

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1514

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1515

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1516

C₅H₅N

Pyridine

pyridine

1517

B₃N₃H₆

borazine

1518

C₆H₆

Fulvene

fulvene

1519

C₅H₆N⁺

Pyridinium

c5h6n

1520

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1521

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1522

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1523

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1524

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1525

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1526

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1527

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1528

C₅H₉N

Pentanenitrile

c110598

1529

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1530

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1531

C₅H₁₁N

Cyclopentanamine

cypentam

1532

C₅H₁₁N

Piperidine

piper

1533

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1534

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1535

Li₂CO₃

Lithium Carbonate

li2co3

1536

Na₂CO₃

Sodium Carbonate

na2co3

1537

C₂O₄^--

oxalate anion

c2o4

1538

MgSO₄

Magnesium Sulfate

mgso4

1539

N₂O₄

Dinitrogen tetroxide

n2o4

1540

C₃H₂O₃

vinylene carbonate

vica

1541

C₂H₂O₄

Oxalic Acid

oxalic

1542

C₂H₃NO₃

Oxamic acid

oxamic

1543

C₄H₄O₂

2(5H)-Furanone

furanone

1544

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1545

C₂H₄N₂O₂

Oxalamide

oxalamide

1546

C₂H₄N₂S₂

Ethanedithioamide

c79403

1547

C₂H₄CO₃

Ethylene carbonate

etco3

1548

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1549

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1550

C₂H₄O₄

Formic acid dimer

fadimer

1551

C₄H₅NO

3-Methylisoxazole

isox3m

1552

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1553

C₄H₅NS

4-Methylthiazole

c693958

1554

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1555

C₅H₆O

2H-Pyran

pyran2

1556

C₅H₆O

2-methylfuran

furan2m

1557

C₅H₆O

3-Methylfuran

furan3m

1558

C₅H₆O

Pentadienal

pdal

1559

C₅H₆S

Thiophene, 2-methyl-

c554143

1560

C₅H₆S

Thiophene, 3-methyl-

c616444

1561

C₄H₆O₂

γ–Butyrolactone

c96480

1562

C₄H₆O₂

2,3-Butanedione

c431038

1563

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1564

C₄H₆O₂

Crotonic Acid

crot

1565

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1566

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1567

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1568

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1569

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1570

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1571

C₄H₆OS

Vinyl sulfoxide

c1115157

1572

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1573

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1574

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1575

C₃H₆O₃

1,3,5-Trioxane

trioxane

1576

C₃H₆S₃

1,3,5-Trithiane

c3h6s3

1577

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1578

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1579

C₄H₇NO

2-Pyrrolidinone

c616455

1580

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1581

C₄H₇NO

Methacrylamide

c79390

1582

C₄H₇NO

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

c1120645

1583

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1584

C₃H₇ONO

Propyl nitrite

prono

1585

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1586

CH₃CH(NH₂)COOH

Alanine

alanine

1587

CH₃NHCH₂COOH

Sarcosine

sarcosine

1588

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1589

NH₂COOC₂H₅

Urethane

urethane

1590

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1591

C₅H₈O

Cyclopentanone

c120923

1592

C₅H₈O

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

c1487156

1593

C₅H₈O

Methyl cyclopropyl ketone

c765435

1594

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1595

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

1596

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1597

C₄H₈O₂

1,3-Dioxane

dioxan13

1598

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1599

C₄H₈O₂

1,4-Dioxane

dioxan14

1600

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1601

C₄H₈O₂

Ethyl acetate

c141786

1602

C₄H₈OS

s-Ethyl thioacetate

c625605

1603

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1604

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1605

C₄H₉NO

Butanamide

c541355

1606

C₄H₉NO

Propanamide, 2-methyl-

c563837

1607

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1608

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1609

C₅H₁₀O

2-methylbutyraldehyde

2meba

1610

C₅H₁₀O

2-Pentanone

mpk

1611

C₅H₁₀O

3-Pentanone

dek

1612

C₅H₁₀O

Cyclopentanol

c96413

1613

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1614

C₅H₁₀O

Pentanal

pal

1615

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1616

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1617

C₅H₁₀S

Cyclopentanethiol

c1679078

1618

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1619

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1620

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1621

C₄H₁₀O₂

1,3-Butanediol

budiol13

1622

C₄H₁₀O₂

1,4-Butanediol

budiol14

1623

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1624

C₄H₁₀OS

Diethyl sulfoxide

c70291

1625

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1626

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1627

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1628

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1629

C₅H₁₂O

1-Pentanol

pentanol1

1630

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1631

C₅H₁₂O

2-Pentanol

peol2

1632

C₅H₁₂O

3-Pentanol

pentan3ol

1633

C₅H₁₂O

Butane, 1-methoxy-

meobu

1634

C₅H₁₂O

Propane, 1-ethoxy-

proet

1635

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1636

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1637

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1638

C₅H₁₂S

1-Pentanethiol

c110667

1639

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1640

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1641

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1642

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1643

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1644

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1645

C₅H₁₂S

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

c6163640

1646

C₄F₂

difluorobutadiyne

c4f2

1647

ClCOClCO

Oxalyl chloride

oxcl

1648

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1649

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1650

B₂F₄

Diboron tetrafluoride

b2f4

1651

B₂Cl₄

Diboron tetrachloride

b2cl4

1652

C₂F₄

Tetrafluoroethylene

c2f4

1653

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1654

C₂ClF₃

Ethene, chlorotrifluoro-

c2f3cl

1655

CF₂CCl₂

difluorodichloroethylene

cf2ccl2

1656

CFClCClF

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

cfclcclf

1657

CFClCFCl

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

cfclcfcl

1658

C₂FCl₃

fluorotrichloroethene

c2fcl3

1659

C₂Cl₄

Tetrachloroethylene

c2cl4

1660

C₂Br₄

tetrabromoethene

c2br4

1661

CF₃OF

Trifluoromethylhypofluorite

cf3of

1662

SiF₅^-

silicon pentafluoride anion

sif5-

1663

SOF₄

Sulfur tetrafluoride oxide

sof4

1664

PF₅

Phosphorus pentafluoride

pf5

1665

AsF₅

Arsenic pentafluoride

asf5

1666

PCl₅

Phosphorus pentachloride

pcl5

1667

SF₅

Sulfur pentafluoride

sf5

1668

SF₅⁺

pentafluoro sulfur cation

sf5+

1669

SbCl₅

Antimony pentachloride

sbcl5

1670

BrF₅

bromine pentafluoride

brf5

1671

ClF₅

chlorinepentafluoride

clf5

1672

IF₅

pentafluoroiodine

if5

1673

CF₃CHO

trifluoroacetaldehyde

cf3cho

1674

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1675

CHFClCHClF

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

chfclchclf

1676

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1677

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1678

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1679

CHFClCHFCl

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

chfclchfcl

1680

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

ch2clccl3

1681

CHCl₂CHCl₂

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

chcl2chcl2

1682

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

c2h2br4

1683

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

1684

CF₃COOH

trifluoroacetic acid

cf3cooh

1685

C₄H₃ClO

Furan, 2-chloro

fur2cl

1686

C₄H₃ClO

Furan,3-chloro

fur3cl

1687

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1688

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1689

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1690

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1691

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1692

C₄H₈Cl₂

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

c2211678

1693

C₄H₈Cl₂

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

c4028562

1694

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1695

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1696

C₄H₈O₂

Butanoic acid

bua

1697

C₆H₅CH₂

benzyl radical

benzyl

1698

C₇H₇

cycloheptatrienyl radical

c7h7

1699

C₇H₇⁺

cycloheptatrienyl cation

c7h7+

1700

C₆H₅CH₃

toluene

1701

C₇H₈

cycloheptatriene

cht

1702

C₇H₈

Norbornadiene

norbor

1703

C₇H₈

Quadricyclane

qucy

1704

C₇H₁₂

Norbornane

nor

1705

C₇H₁₄

cycloheptane

c7h14

1706

C₇H₁₆

2-methylhexane

2mhex

1707

C₇H₁₆

3-methylhexane

hex3m

1708

C₇H₁₆

heptane

1709

CH(CN)₃

tricyanomethane

mecn3

1710

HN=C=C(CN)₂

Dicyanoketenimine

c4hn3

1711

C₆H₇N

2-Methylpyridine

1712

C₆H₅NH₂

aniline

1713

C₆H₁₃N

2-Methylpiperidine

pip2m

1714

C₆H₁₃N

cyclohexanamine

cham

1715

C₆H₁₅N

triethylamine

tea

1716

N₂O₅

Dinitrogen pentoxide

n2o5

1717

C₄H₂O₃

Maleic Anhydride

malan

1718

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1719

C₅H₄O₂

furfural

1720

C₆H₅O

phenoxy radical

phenoxy

1721

C₅H₅NO

2(1H)-Pyridinone

c72762006

1722

C₅H₅NO

2(3H)-Pyridinone

c9000048

1723

C₅H₅NO

2(5H)-Pyridinone

c9000037

1724

C₅H₅NO

2-Pyridinol

c109104

1725

C₅H₅NO

3(2H)-Pyridinone

c9000004

1726

C₅H₅NO

3(4H)-Pyridinone

c9000026

1727

C₅H₅NO

3(6H)-Pyridinone

c9000015

1728

C₅H₅NO

3-Pyridinol

c109002

1729

C₅H₅NO

4(1H)-Pryidinone

c9000060

1730

C₅H₅NO

4(3H)-Pryidinone

c9000059

1731

C₅H₅NO

4-Pyridinol

c626642

1732

C₆H₅OH

phenol

1733

C₆H₆O

2,4-Cyclohexadienone

c24599573

1734

C₆H₆O

2,5-Cyclohexadienone

c5664335

1735

C₆H₅SH

Benzenethiol

phsh

1736

HO₂CCHNH₂CH₂OH

Serine

serine

1737

C₅H₈O₂

Acetylacetone

acac

1738

C₄H₈O₂S

Sulfolane

sulfolane

1739

C₇H₁₀

Norbornene

norbornene

1740

CH(C₂H₃)₃

trivinyl methane

tvm

1741

C₆H₁₀O

cyclohexanone

chexo

1742

C₆H₁₂O

hexanal

c6h12o

1743

C₆H₁₂O

Oxepane

oxepane

1744

C₃H₇OC₃H₇

di-n-propyl ether

propr

1745

F₂CCCF₂

tetrafluoroallene

pfa

1746

CF₃COO^-

trifluoro acetate anion

cf3coo-

1747

CF₃COF

trifluoroacetyl fluoride

cf3cof

1748

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1749

PF₆

Hexafluorophosphate neutral

pf6

1750

PF₆^-

Hexafluorophosphate ion

pf6-

1751

SF₆

Sulfur Hexafluoride

sf6

1752

SeF₆

Selenium hexafluoride

sef6

1753

SF₅Cl

sulfur chloropentafluoride

sf5cl

1754

CF₃CHF₂

pentafluoroethane

cf3chf2

1755

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1756

CF₃CHCl₂

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

cf3chcl2

1757

CHCl₂CClF₂

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

chcl2cclf2

1758

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1759

C₆H₅F

Fluorobenzene

bzf

1760

C₆H₅Cl

chlorobenzene

bzcl

1761

C₆H₅Br

bromobenzene

bzbr

1762

C₈H₆

Calicene

calicene

1763

C₆H₅CCH

phenylacetylene

phac

1764

C₈H₆

benzocyclobutadiene

bcbd

1765

C₈H₆

Pentalene

pentalene

1766

C₆H₅CHCH₂

Styrene

styrene

1767

C₈H₈

cubane

1768

C₈H₈

cyclooctatetraene

cot

1769

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1770

CH₃C₆H₄CH₃

meta-xylene

mxylene

1771

CH₃C₆H₄CH₃

paraxylene

pxylene

1772

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1773

C₈H₁₆

cyclooctane

cyclooct

1774

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1775

C₈H₁₈

Octane

c8h18

1776

C₆H₅CN

phenyl cyanide

phcn

1777

C₆H₁₂N₂

Triethylenediamine

ted

1778

C₄O₄^--

squarate dianion

c4o4--

1779

S₄N₄

Tetrasulfur tetranitride

s4n4

1780

S₈

Octasulfur

1781

C₆H₄O₂

parabenzoquinone

pbq

1782

C₄H₄N₂O₂

Uracil

uracil

1783

C₆H₅CHO

benzaldehyde

benzal

1784

C₆H₅OCH₃

Anisole

anisole

1785

C₅H₉NO₂

Proline

proline

1786

C₆H₁₂O₂

Methyl pivalate

c598981

1787

C₆H₁₂O₂

Hexanoic acid

hexa

1788

C₄F₄

tetrafluorcyclobutadiene

c4f4

1789

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1790

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1791

CF₂ClCF₂Cl

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

cf2clcf2cl

1792

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1793

CF₂ClCFCl₂

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

cf2clcfcl2

1794

CF₃CCl₃

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

cf3ccl3

1795

C₂F₆

hexafluoroethane

c2f6

1796

C₂Cl₆

hexachloroethane

c2cl6

1797

IF₇

Iodine heptafluoride

if7

1798

C₆H₄F₂

metadifluorobenzene

mdfb

1799

C₆H₄F₂

orthodifluorobenzene

odfb

1800

C₆H₄F₂

1,4-difluorobenzene

pdfb

1801

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1802

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1803

C₆H₄Cl₂

1,4-dichlorobenzene

dcb14

1804

C₆H₅NO

nitrosobenzene

bzno

1805

C₉H₈

Indene

indene

1806

C₉H₈

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

snt

1807

C₉H₁₂

n-propyl benzene

prbz

1808

C₉H₂₀

Nonane

nonane

1809

C(CN)₄

tetracyanomethane

c5n4

1810

C₅H₄N₄

purine

1811

C₈H₇N

Indole

indole

1812

C₆H₅NO₂

Nitrobenzene

c6h5no2

1813

C₆H₅COOH

benzoic acid

benzo

1814

CH₃COC₆H₅

acetophenone

acph

1815

C₃Cl₃N₃

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

c3cl3n3

1816

C₃F₆

hexafluoropropene

c3f6

1817

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1818

C₈H₁₈O

1-Octanol

octanol

1819

C₁₀H₈

Azulene

azu

1820

C₁₀H₈

naphthalene

naph

1821

C₁₀H₁₀

bullvalene

bullv

1822

C₁₀H₁₆

adamantane

1823

C₆N₄

Tetracyanoethylene

tcne

1824

C₆N₄^-

tetracyanoethylene anion

tcne-

1825

C₁₀H₂₂

Decane

decane

1826

C₄F₆

perfluorobutadiene

c4f6

1827

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1828

C₃F₈

perfluoropropane

c3f8

1829

Fe(CO)₅

Iron pentacarbonyl

ipc

1830

Fe(C₅H₅)₂

ferrocene

fecp2

1831

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1832

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1833

C₁₂H₈

Acenaphthylene

acenaph

1834

C₁₂H₈

biphenylene

biph

1835

C₁₂H₁₀

biphenyl

1836

C₁₂H₁₀

Heptalene

heptalene

1837

C₆H₁₂O₆

Inositol

inositol

1838

C₆F₆

hexafluorobenzene

c6f6

1839

S₂F₁₀

disulphur decafluoride

s2f10

1840

C₁₃H₁₀

Fluorene

fluorene

1841

C₁₄H₁₀

Anthracene

anth

1842

C₁₄H₁₀

Phenanthrene

phenanthrene

1843

C₁₄H₁₄

Bibenzyl

bibenzyl

1844

C₁₂H₁₀N₂

azobenzene

1845

C₆H₅COC₆H₅

benzophenone

1846

C₁₆H₁₀

Pyrene

pyrene

1847

C₁₈H₁₂

Tetracene

tetracene

1848

C₁₉H₁₆

Triphenylmethane

tpm

1849

C₂₄H₁₂

Coronene

coronene

1850

C₆₀

Buckminsterfullerene

c60

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