CCCBDB List of Species with completed calculations

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

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count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
3	He	Helium atom	¹S	K_h
4	He	Helium atom
5	Li	Lithium atom	²S	K_h
6	MgH	magnesium monohydride	²Σ	C_∞v
7	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
8	B	Boron atom	²P	K_h
9	Al^-	Aluminum atom anion	³P	K_h
10	BH	Boron monohydride	¹Σ	C_∞v
11	BH	Boron monohydride	³Π	C_∞v
12	ScH	Scandium monohydride	¹Σ	C_∞v
13	BH₃⁺	boron trihydride cation	²B₂	C_2v
14	BH₃⁺	boron trihydride cation		C_2v
15	AlH₃	aluminum trihydride	¹A₁^'	D_3h
16	AlH₃^-	aluminum trihydride anion		C_3v
17	ScH₃	Scandium trihydride	¹A₁^'	D_3h
18	ScH₃	Scandium trihydride	¹A₁	C_3v
19	BH₄	borohydride	²B₂	C_2v
20	BH₄^-	borohydride anion	¹A₁	T_d
21	C	Carbon atom	³P₀	K_h
22	C	Carbon atom	³P₁	K_h
23	C^-	Carbon atom anion	²D	K_h
24	Si	Silicon atom	³P	K_h
25	Si	Silicon atom	¹S	K_h
26	Si^-	Silicon atom anion	⁴S	K_h
27	SiH	Silylidyne	²Π	C_∞v
28	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
29	GeH	germylidene	²Π	C_∞v
30	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
31	CH₂	Methylene	³B₁	C_2v
32	CH₂	Methylene	³Σ_G	D_∞h
33	CH₂	Methylene	¹A₁	C_2v
34	CH₂^-	methylene anion	²B₁	C_2v
35	CH₂⁺	methylene cation	²A₁	C_2v
36	CH₂⁺	methylene cation	²Π	D_∞h
37	GeH₂	germylene	¹A₁	C_2v
38	CH₃	Methyl radical	²A₁	D_3h
39	CH₃^-	methyl anion	¹A₁	C_3v
40	CH₃⁺	methyl cation	¹A₁^'	D_3h
41	SiH₃	Silyl radical	²A₁	C_3v
42	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
43	CH₄	Methane	¹A₁	T_d
44	CH₄^-	Methane anion	²A₁	T_d
45	CH₄^-	Methane anion	²A₁	C_3v
46	SiH₂D₂	silane-d2
47	SiH₄	Silane	¹A₁	T_d
48	GeH₄	Germane	¹A₁	T_d
49	SiH₅⁺	Silane, protonated
50	N	Nitrogen atom	⁴S	K_h
51	N	Nitrogen atom	²D	K_h
52	N⁺	Nitrogen atom cation	³P	K_h
53	P	Phosphorus atom	⁴S	K_h
54	V	Vanadium atom	⁴F	K_h
55	V⁺	Vanadium atom cation	⁵D	K_h
56	As	Arsenic atomic	⁴S	K_h
57	As^-	Arsenic anion	³P	K_h
58	As⁺	Arsenic cation	³P	K_h
59	PH	phosphorus monohydride	³Σ^-	C_∞v
60	NH₂	Amino radical	²B₁	C_2v
61	NH₂⁺	Amino cation	³B₁	C_2v
62	NH₂⁺	Amino cation	¹A₁	C_2v
63	NH₃	Ammonia	¹A₁	C_3v
64	NH₃^-	Ammonia anion	²A₁	C_3v
65	NH₃⁺	ammonia cation	²A₂^"	D_3h
66	PH₃	Phosphine	¹A₁	C_3v
67	PH₃⁺	Phosphine cation	²A₁	C_3v
68	NH₄⁺	ammonium cation	¹A₁	T_d
69	PH₄	Phosphoranyl radical
70	PH₄⁺	phosphonium cation
71	O	Oxygen atom	³S	K_h
72	O⁺	Oxygen atom cation	⁴S	K_h
73	S	Sulfur atom	³P	K_h
74	S^-	Sulfur atom anion	²P	K_h
75	S⁺	Sulfur atom cation	⁴S	K_h
76	OH	Hydroxyl radical	²Π	C_∞v
77	OH^-	hydroxide anion	¹Σ	C_∞v
78	OH⁺	hydoxyl cation	³Σ	C_∞v
79	HS	Mercapto radical	²Π	C_∞v
80	HS^-	mercapto anion	¹Σ	C_∞v
81	HS⁺	sulfur monohydride cation	³Σ	C_∞v
82	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
83	HSe⁺	selenium monohydride cation	³Σ	C_∞v
84	H₂O	Water	¹A₁	C_2v
85	H₂O^-	water anion	²A₁	C_2v
86	H₂O^-	water anion	²A^'	C_s
87	H₂O⁺	water cation	²B₁	C_2v
88	HDO	Water-d1	¹A₁	C_2v
89	H₂S	Hydrogen sulfide	¹A₁	C_2v
90	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
91	H₂Se	Hydrogen selenide	¹A₁	C_2v
92	H₃O⁺	hydronium cation	¹A₁	C_3v
93	H₃S⁺	Sulfonium cation	¹A₁	C_3v
94	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
95	F	Fluorine atom	²P	K_h
96	F^-	Fluorine atom anion	¹S	K_h
97	F⁺	Fluorine atom cation	³S	K_h
98	F⁺	Fluorine atom cation	¹D	K_h
99	Cl	Chlorine atom	²P	K_h
100	Cl^-	Chlorine atom anion	¹S	K_h
101	Cl⁺	Chlorine atom cation	³P	K_h
102	Cl⁺	Chlorine atom cation	¹D	K_h
103	HF	Hydrogen fluoride	¹Σ	C_∞v
104	HCl	Hydrogen chloride	¹Σ	C_∞v
105	HCl⁺	hydrogen chloride cation	²Π	C_∞v
106	HBr	hydrogen bromide	¹Σ	C_∞v
107	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
108	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
109	Ne	Neon atom	¹S	K_h
110	Ne	Neon atom
111	Ne⁺	Neon atom cation	²P	K_h
112	Ar	Argon atom	¹S	K_h
113	Kr	Krypton atom	¹S	K_h
114	Kr⁺	Krypton cation	²P	K_h
115	ArH⁺	Argon hydride cation	¹Σ	C_∞v
116	KrH⁺	Protonated Krypton	¹Σ	C_∞v
117	Na₂	Sodium diatomic	¹Σ_g	D_∞h
118	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
119	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
120	BeMg	Beryllium Magnesium	¹Σ	C_∞v
121	NaAl	Sodium aluminum	¹Σ	C_∞v
122	BeB	Beryllium monoboride	²Π	C_∞v
123	B₂	Boron diatomic	¹Σ_g	D_∞h
124	B₂⁺	Boron diatomic cation	²Π	D_∞h
125	BAl	Boron Aluminum	³Σ	C_∞v
126	BGa	Boron Gallium	³Σ	C_∞v
127	AlGa	Aluminum Gallium	³Σ	C_∞v
128	AlGa	Aluminum Gallium	¹Σ	C_∞v
129	Ga₂	Gallium diatomic	³P_iu
130	HBBH	Diborane(2)	³Σ_G	D_∞h
131	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
132	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
133	B₂H₆	Diborane	¹A_g	D_2h
134	B₂H₆⁺	Diborane cation
135	Ga₂H₆	digallane	¹A_G	D_2h
136	BeC	Beryllium Carbide	³Σ^-	C_∞v
137	BeC	Beryllium Carbide
138	AlC	Aluminum carbide	⁴Σ	C_∞v
139	BSi	Boron silicide	⁴Σ	C_∞v
140	BSi	Boron silicide	²Σ	C_∞v
141	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
142	C₂	Carbon diatomic	³Σ_g^-
143	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
144	SiGe	Silicon Germanium
145	C₂H	Ethynyl radical	²Σ	C_∞v
146	C₂H^-	Ethynyl anion	¹Σ	C_∞v
147	C₂H₂	Acetylene	¹Σ_g	D_∞h
148	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
149	H₂CC^-	vinylidene anion
150	CH₃Li	methyl lithium	¹A₁	C_3v
151	CH₂BH	methyleneborane	¹A₁	C_2v
152	C₂H₃	vinyl	²A^'	C_s
153	C₂H₃^-	vinyl anion	¹A^'	C_s
154	C₂H₄	Ethylene	¹A_g	D_2h
155	C₂H₄^-	Ethylene anion	²A_g	C_2h
156	C₂H₄⁺	Ethylene cation	²B₃	D₂
157	CH₃BH₂	methylborane	¹A^'	C_s
158	C₂H₅	Ethyl radical	²A^'	C_s
159	C₂H₆	Ethane	¹A_1g	D_3d
160	Si₂H₆	disilane	¹E_u	D_3d
161	LiP	Lithium monophosphide
162	LiP	Lithium monophosphide
163	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
164	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
165	MgN	Magnesium Nitride
166	BP	Boron monophosphide	³Π	C_∞v
167	BP	Boron monophosphide	¹Σ	C_∞v
168	AlP	Aluminum monophosphide	³Σ	C_∞v
169	AlP	Aluminum monophosphide	³Π	C_∞v
170	AlP	Aluminum monophosphide	¹Σ	C_∞v
171	GaN	Gallium mononitride	¹Σ	C_∞v
172	GaP	Gallium monophosphide	³Σ	C_∞v
173	GaP	Gallium monophosphide	¹Σ	C_∞v
174	GaAs	Gallium arsenide	³Π
175	GaAs	Gallium arsenide	¹Σ
176	BN	boron nitride	³Π	C_∞v
177	BN	boron nitride	¹Σ	C_∞v
178	CN	Cyano radical	²Σ	C_∞v
179	CN^-	cyanide anion	¹Σ	C_∞v
180	SiP	Silicon monophosphide	²Π	C_∞v
181	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
182	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
183	HCN	Hydrogen cyanide	¹Σ	C_∞v
184	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
185	HNC⁺	hydrogen isocyanide cation
186	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
187	N₂H₂	(E)-diazene	¹A_g	C_2h
188	N₂H₂	(Z)-Diazene	¹A₁	C_2v
189	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
190	CH₂NH⁺	Methanimine cation
191	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
192	N₂H₄⁺	hydrazine cation	²A_G	C_2h
193	CH₃NH₂	methyl amine	¹A^'	C_s
194	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
195	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
196	N₂H₇⁺	ammonia ammonium dimer
197	LiO	lithium oxide	²Σ	C_∞v
198	LiS	Lithium monosulfide	²Π	C_∞v
199	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
200	NaO	sodium monoxide	²Σ	C_∞v
201	NaS	Sodium sulfide	²Π	C_∞v
202	BO	boron monoxide	²Σ	C_∞v
203	ScO	Scandium monoxide	²Σ	C_∞v
204	CO	Carbon monoxide	¹Σ	C_∞v
205	CO^-	carbon monoxide anion	²Π	C_∞v
206	CO⁺	carbon monoxide cation	²Σ	C_∞v
207	TiO	Titanium monoxide	³Δ	C_∞v
208	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
209	GeS	Germanium monosulfide	¹Σ	C_∞v
210	SiSe	Silicon Monoselenide
211	SiSe⁺	Silicon Monoselenide cation
212	NO	Nitric oxide	²Π	C_∞v
213	NO^-	nitric oxide anion	³Σ	C_∞v
214	NO⁺	nitric oxide cation	¹Σ	C_∞v
215	NS	Mononitrogen monosulfide	²Π	C_∞v
216	PO	Phosphorus monoxide	²Π	C_∞v
217	PS	phosphorus sulfide	²Σ	C_∞v
218	VO	Vanadium monoxide	⁴Σ^-
219	NSe	Nitrogen monoselenide	²Π	C_∞v
220	AsS	Arsenic monosulfide	²Π	C_∞v
221	PSe	Phosphorus monoselenide	²Π	C_∞v
222	AsSe	Arsenic monoselenide	²Π	C_∞v
223	O₂	Oxygen diatomic	³Σ_g	D_∞h
224	O₂^-	oxygen diatomic anion	²Π	D_∞h
225	SO⁺	sulfur monoxide cation	²Π	C_∞v
226	S₂	Sulfur diatomic	³Σ_g	D_∞h
227	LiOH	lithium hydroxide	¹Σ	C_∞v
228	BeOH	beryllium monohydroxide	²Σ	C_∞v
229	HBO	Boron hydride oxide	¹Σ	C_∞v
230	COH	Hydroxymethylidyne
231	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
232	HCO^-	formyl anion	¹A^'	C_s
233	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
234	NOH	Hydroxyimidogen	³A^"	C_s
235	NOH⁺	O-protonated nitric oxide	²A^'	C_s
236	HO₂	Hydroperoxy radical	²A^"	C_s
237	HO₂⁺	Hydroperoxy cation	³A^"	C_s
238	HSO⁺	Sulfur Monoxide, S-protonated
239	SOH⁺	Sulfur Monoxide, protonated
240	H₂CO	Formaldehyde	¹A₁	C_2v
241	H₂CO^-	formaldehyde anion	²A^'	C_s
242	H₂CO⁺	formaldehyde cation	²B₂	C_2v
243	H₂CS	Thioformaldehyde	¹A₁	C_2v
244	H₂NO	nitroxide	²B₁	C_2v
245	H₂NO	nitroxide	²A^'	C_s
246	H₂O₂	Hydrogen peroxide	¹A	C₂
247	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
248	H₂S₂	Disulfane	¹A	C₂
249	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
250	CH₂OH	Hydroxymethyl radical	²A	C₁
251	CH₃O⁺	Methoxy cation	³A₁	C_3v
252	NH₂OH	hydroxylamine	¹A^'	C_s
253	NH₂OH⁺	Hydroxylamine cation
254	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
255	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
256	CH₃SH	Methanethiol	¹A^'	C_s
257	CH₃SH⁺	Methanethiol cation	²A^"	C_s
258	NH₃OH⁺	N-protonated hydroxylamine
259	H₂OH₂O	water dimer	¹A^'	C_s
260	LiCl	lithium chloride	¹Σ	C_∞v
261	NaF	sodium fluoride	¹Σ	C_∞v
262	NaCl	Sodium Chloride	¹Σ	C_∞v
263	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
264	ZnF	Zinc monofluoride	²Σ	C_∞v
265	BF	Boron monofluoride	¹Σ	C_∞v
266	ScF	Scandium monofluoride	¹Σ	C_∞v
267	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
268	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
269	CF	Fluoromethylidyne	²Π	C_∞v
270	SiF	silicon monofluoride	²Π	C_∞v
271	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
272	CBr	Carbon monobromide	²Π	C_∞v
273	SiBr	Silicon monobromide	²Π	C_∞v
274	NCl	nitrogen monochloride	³Σ	C_∞v
275	AsF	Arsenic monofluoride	³Σ	C_∞v
276	AsCl	Arsenic monochloride	³Σ	C_∞v
277	FO	Oxygen monofluoride	²Π	C_∞v
278	SF	Monosulfur monofluoride	²Π	C_∞v
279	SeF	Selenium monofluoride	²Π	C_∞v
280	SeCl	Selenium monochloride	²Π	C_∞v
281	F₂	Fluorine diatomic	¹Σ_g	D_∞h
282	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
283	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
284	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
285	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
286	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
287	HCF	Fluoromethylene	¹A^'	C_s
288	HCF	Fluoromethylene	³A^"	C_s
289	HOCl⁺	hypochlorous acid cation
290	ClFH⁺	Chlorine fluoride, F-protonated
291	FClH⁺	Chlorine fluoride, Cl-protonated
292	CH₂F	fluoromethyl radical	²A	C_s
293	CH₃F	Methyl fluoride	¹A₁	C_3v
294	CH₃Cl	Methyl chloride	¹A₁	C_3v
295	NH₄Cl	Ammonium chloride
296	LiNe⁺	Lithium Neon cation
297	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
298	Ar₂	Argon diatomic	¹S_g	D_∞h
299	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
300	C₃	carbon trimer	¹Σ_g	D_∞h
301	C₃	carbon trimer	¹A₁	C_2v
302	C₃H₃	cyclopropenyl radical	²A^'	C_s
303	C₃H₅	Allyl radical	²A₂	C_2v
304	C₃H₅	Allyl radical	²A^"	C_s
305	C₃H₆	Cyclopropane	¹A₁^'	D_3h
306	CH₂CHCH₃	Propene	¹A^'	C_s
307	C₃H₇	n-Propyl radical	²A^"	C₁
308	LiCN	lithium cyanide	¹Σ	C*V LiCN
309	LiCN	lithium cyanide	¹A^'	C_s
310	LiCN	lithium cyanide	¹Σ	C*V LiNC
311	NaCN	Sodium Cyanide	¹Σ	C_∞v
312	NaCN	Sodium Cyanide	¹A	C_s
313	N₃	azide radical	²Π_g	D_∞h
314	N₃⁺	azide cation	³Σ_g	D_∞h
315	N₃⁺	azide cation	³Σ	C_∞v
316	HCCN	cyanomethylene	³A^"	C_s
317	NH₂CN	cyanamide	¹A₁	C_2v
318	CH₂CHNH	vinylazine	²A^"	CS cis
319	Li₂O	dilithium oxide	¹Σ_g	D_∞h
320	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
321	Li₂S	dilithium sulfide	¹A₁	C_2v
322	Na₂O	disodium monoxide	¹Σ_g	Linear
323	CCO	Dicarbon monoxide	³Σ	C_∞v
324	CCO	Dicarbon monoxide	¹Π	C_∞v
325	NCO	isocyanato radical	²Π	C_∞v
326	N₂O	Nitrous oxide	¹Σ	C_∞v
327	N₂O^-	Nitrous oxide anion	²A^'	C_s
328	CO₂	Carbon dioxide	¹Σ_g	D_∞h
329	OCS	Carbonyl sulfide	¹Σ	C_∞v
330	TiO₂	Titanium dioxide	¹A₁	C_2v
331	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
332	CSe₂	Carbon diselenide	¹A₁	D_∞h
333	NO₂	Nitrogen dioxide	²A₁	C_2v
334	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
335	O₃	Ozone	¹A₁	C_s
336	SO₂	Sulfur dioxide	¹A₁	C_2v
337	S₃	Sulfur trimer	¹A₁	C_2v
338	S₃⁺	Sulfur trimer cation	²B₂	C_2v
339	HCNO	fulminic acid	¹Σ	C_∞v
340	HCNO	fulminic acid	¹A^'	C_s
341	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
342	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
343	O₃H⁺	protonated ozone	¹A^'	C_s
344	Be(OH)₂	Beryllium hydroxide
345	H₂COO	Dioxymethyl radical	²A^'	C_s
346	H₂COO⁺	dioxymethyl cation	²A^'	C_s
347	HCOOH	Formic acid	¹A^'	C_s
348	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
349	BH₃CO	Borane carbonyl	¹A₁	C_3v
350	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
351	CH₃NO	nitrosomethane	¹A^'	C_s
352	CuF₂	Copper difluoride	²Π_g	D_∞h
353	CNF	iso cyanogen fluoride	¹Σ	C_∞v
354	FCO	Carbonyl fluoride	²A^'	C_s
355	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
356	ClCO	carbonyl monochloride	²A^'	C_s
357	BF₂	Boron difluoride radical	²A₁	C_2v
358	FSN	Thiazyl fluoride	¹A^'	C_s
359	CF₂	Difluoromethylene	¹A₁	D_∞h
360	CFCl	chlorofluoromethylene	¹A^'	C_s
361	OClO^-	Chlorine dioxide anion	¹A^'	C_s
362	HFCO⁺	formyl fluoride cation	²A^'	C_s
363	C₄H₂	Diacetylene	¹Σ_g	D_∞h
364	C₄H₄	Tetrahedrane
365	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
366	Li₃N	trilithium nitride	¹A^'	D_3h
367	C₂N₂	Cyanogen	¹Σ_g	D_∞h
368	P(CH₃)₃	trimethylphosphine	¹A₁	C_3v
369	C₃O	Tricarbon monoxide	¹Σ	C_∞v
370	ONNO	NO dimer	¹A_g	trans C2H
371	NH₂COOH	Carbamic acid	¹A^'	C_s
372	NH₂CONH₂	Urea	¹A₁	C_2v
373	C₃H₆O	Oxetane	¹A₁	C_2v
374	C₃H₆O	Oxetane	¹A^'	C_s
375	BF₃	Borane, trifluoro-	¹A^'	D_3h
376	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
377	TiF₄	Titanium tetrafluoride	¹A₁	T_d
378	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h

count

Species

Name

State

Conformation

Hydrogen atom

¹S

K_h

H₂^-

hydrogen diatomic anion

²Σ_u⁺

D_∞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

Boron monohydride

³Π

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

100

Cl^-

Chlorine atom anion

¹S

K_h

101

Cl⁺

Chlorine atom cation

³P

K_h

102

Cl⁺

Chlorine atom cation

¹D

K_h

103

Hydrogen fluoride

¹Σ

C_∞v

104

HCl

Hydrogen chloride

¹Σ

C_∞v

105

HCl⁺

hydrogen chloride cation

²Π

C_∞v

106

HBr

hydrogen bromide

¹Σ

C_∞v

107

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

108

H₂Br⁺

protonated hydrogen bromide

²A₁

C_2v

109

Neon atom

¹S

K_h

110

Neon atom

111

Ne⁺

Neon atom cation

²P

K_h

112

Argon atom

¹S

K_h

113

Krypton atom

¹S

K_h

114

Kr⁺

Krypton cation

²P

K_h

115

ArH⁺

Argon hydride cation

¹Σ

C_∞v

116

KrH⁺

Protonated Krypton

¹Σ

C_∞v

117

Na₂

Sodium diatomic

¹Σ_g

D_∞h

118

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

119

Na₂⁺

sodium diatomic cation

²Σ_g

D_∞h

120

BeMg

Beryllium Magnesium

¹Σ

C_∞v

121

NaAl

Sodium aluminum

¹Σ

C_∞v

122

BeB

Beryllium monoboride

²Π

C_∞v

123

B₂

Boron diatomic

¹Σ_g

D_∞h

124

B₂⁺

Boron diatomic cation

²Π

D_∞h

125

BAl

Boron Aluminum

³Σ

C_∞v

126

BGa

Boron Gallium

³Σ

C_∞v

127

AlGa

Aluminum Gallium

³Σ

C_∞v

128

AlGa

Aluminum Gallium

¹Σ

C_∞v

129

Ga₂

Gallium diatomic

³P_iu

130

HBBH

Diborane(2)

³Σ_G

D_∞h

131

B₂H₄

Diborane(4) D2d

¹A₁

D_2d

132

HBHHBH

Diborane(4) C2V

¹A₁

C_2v

133

B₂H₆

Diborane

¹A_g

D_2h

134

B₂H₆⁺

Diborane cation

135

Ga₂H₆

digallane

¹A_G

D_2h

136

BeC

Beryllium Carbide

³Σ^-

C_∞v

137

BeC

Beryllium Carbide

138

AlC

Aluminum carbide

⁴Σ

C_∞v

139

BSi

Boron silicide

⁴Σ

C_∞v

140

BSi

Boron silicide

²Σ

C_∞v

141

C₂

Carbon diatomic

¹Σ_g⁺

D_∞h

142

C₂

Carbon diatomic

³Σ_g^-

143

C₂⁺

carbon diatomic cation

⁴Σ_g

D_∞h

144

SiGe

Silicon Germanium

145

C₂H

Ethynyl radical

²Σ

C_∞v

146

C₂H^-

Ethynyl anion

¹Σ

C_∞v

147

C₂H₂

Acetylene

¹Σ_g

D_∞h

148

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

149

H₂CC^-

vinylidene anion

150

CH₃Li

methyl lithium

¹A₁

C_3v

151

CH₂BH

methyleneborane

¹A₁

C_2v

152

C₂H₃

vinyl

²A^'

C_s

153

C₂H₃^-

vinyl anion

¹A^'

C_s

154

C₂H₄

Ethylene

¹A_g

D_2h

155

C₂H₄^-

Ethylene anion

²A_g

C_2h

156

C₂H₄⁺

Ethylene cation

²B₃

D₂

157

CH₃BH₂

methylborane

¹A^'

C_s

158

C₂H₅

Ethyl radical

²A^'

C_s

159

C₂H₆

Ethane

¹A_1g

D_3d

160

Si₂H₆

disilane

¹E_u

D_3d

161

LiP

Lithium monophosphide

162

LiP

Lithium monophosphide

163

BeN⁺

Beryllium mononitride cation

³Σ

C_∞v

164

BeN⁺

Beryllium mononitride cation

¹Σ

C_∞v

165

MgN

Magnesium Nitride

166

Boron monophosphide

³Π

C_∞v

167

Boron monophosphide

¹Σ

C_∞v

168

AlP

Aluminum monophosphide

³Σ

C_∞v

169

AlP

Aluminum monophosphide

³Π

C_∞v

170

AlP

Aluminum monophosphide

¹Σ

C_∞v

171

GaN

Gallium mononitride

¹Σ

C_∞v

172

GaP

Gallium monophosphide

³Σ

C_∞v

173

GaP

Gallium monophosphide

¹Σ

C_∞v

174

GaAs

Gallium arsenide

³Π

175

GaAs

Gallium arsenide

¹Σ

176

boron nitride

³Π

C_∞v

177

boron nitride

¹Σ

C_∞v

178

Cyano radical

²Σ

C_∞v

179

CN^-

cyanide anion

¹Σ

C_∞v

180

SiP

Silicon monophosphide

²Π

C_∞v

181

N₂

Nitrogen diatomic

¹Σ_g

D_∞h

182

N₂^-

nitrogen diatomic anion

²Π_g

D_∞h

183

HCN

Hydrogen cyanide

¹Σ

C_∞v

184

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

185

HNC⁺

hydrogen isocyanide cation

186

NNH⁺

Dinitrogen monohydride cation

¹Σ

C_∞v

187

N₂H₂

(E)-diazene

¹A_g

C_2h

188

N₂H₂

(Z)-Diazene

¹A₁

C_2v

189

N₂H₂⁺

trans-diazene cation

²A_G

C_2h

190

CH₂NH⁺

Methanimine cation

191

CH₂NH₂⁺

methyleneamine cation

¹A₁

C_2v

192

N₂H₄⁺

hydrazine cation

²A_G

C_2h

193

CH₃NH₂

methyl amine

¹A^'

C_s

194

CH₃NH₂⁺

methyl amine cation

²A^'

C_s

195

NH₃NH₃

Ammonia Dimer

¹A_g

C_2h

196

N₂H₇⁺

ammonia ammonium dimer

197

LiO

lithium oxide

²Σ

C_∞v

198

LiS

Lithium monosulfide

²Π

C_∞v

199

LiS⁺

Lithium sulfide cation

³Σ

C_∞v

200

NaO

sodium monoxide

²Σ

C_∞v

201

NaS

Sodium sulfide

²Π

C_∞v

202

boron monoxide

²Σ

C_∞v

203

ScO

Scandium monoxide

²Σ

C_∞v

204

Carbon monoxide

¹Σ

C_∞v

205

CO^-

carbon monoxide anion

²Π

C_∞v

206

CO⁺

carbon monoxide cation

²Σ

C_∞v

207

TiO

Titanium monoxide

³Δ

C_∞v

208

GeO⁺

Germanium monoxide cation

²Σ

C_∞v

209

GeS

Germanium monosulfide

¹Σ

C_∞v

210

SiSe

Silicon Monoselenide

211

SiSe⁺

Silicon Monoselenide cation

212

Nitric oxide

²Π

C_∞v

213

NO^-

nitric oxide anion

³Σ

C_∞v

214

NO⁺

nitric oxide cation

¹Σ

C_∞v

215

Mononitrogen monosulfide

²Π

C_∞v

216

Phosphorus monoxide

²Π

C_∞v

217

phosphorus sulfide

²Σ

C_∞v

218

Vanadium monoxide

⁴Σ^-

219

NSe

Nitrogen monoselenide

²Π

C_∞v

220

AsS

Arsenic monosulfide

²Π

C_∞v

221

PSe

Phosphorus monoselenide

²Π

C_∞v

222

AsSe

Arsenic monoselenide

²Π

C_∞v

223

O₂

Oxygen diatomic

³Σ_g

D_∞h

224

O₂^-

oxygen diatomic anion

²Π

D_∞h

225

SO⁺

sulfur monoxide cation

²Π

C_∞v

226

S₂

Sulfur diatomic

³Σ_g

D_∞h

227

LiOH

lithium hydroxide

¹Σ

C_∞v

228

BeOH

beryllium monohydroxide

²Σ

C_∞v

229

HBO

Boron hydride oxide

¹Σ

C_∞v

230

COH

Hydroxymethylidyne

231

COH⁺

Carbon Monoxide, protonated

¹Σ

C_∞v

232

HCO^-

formyl anion

¹A^'

C_s

233

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

234

NOH

Hydroxyimidogen

³A^"

C_s

235

NOH⁺

O-protonated nitric oxide

²A^'

C_s

236

HO₂

Hydroperoxy radical

²A^"

C_s

237

HO₂⁺

Hydroperoxy cation

³A^"

C_s

238

HSO⁺

Sulfur Monoxide, S-protonated

239

SOH⁺

Sulfur Monoxide, protonated

240

H₂CO

Formaldehyde

¹A₁

C_2v

241

H₂CO^-

formaldehyde anion

²A^'

C_s

242

H₂CO⁺

formaldehyde cation

²B₂

C_2v

243

H₂CS

Thioformaldehyde

¹A₁

C_2v

244

H₂NO

nitroxide

²B₁

C_2v

245

H₂NO

nitroxide

²A^'

C_s

246

H₂O₂

Hydrogen peroxide

¹A

C₂

247

H₂O₂

Hydrogen peroxide

¹A_g

C_2h

248

H₂S₂

Disulfane

¹A

C₂

249

H₂S₂⁺

hydrogen disulfide cation

²B_g

C_2h

250

CH₂OH

Hydroxymethyl radical

²A

C₁

251

CH₃O⁺

Methoxy cation

³A₁

C_3v

252

NH₂OH

hydroxylamine

¹A^'

C_s

253

NH₂OH⁺

Hydroxylamine cation

254

CH₃OH^-

Methyl alcohol anion

²A^'

C_s

255

CH₃OH^-

Methyl alcohol anion

²A^'

CS eclipsed

256

CH₃SH

Methanethiol

¹A^'

C_s

257

CH₃SH⁺

Methanethiol cation

²A^"

C_s

258

NH₃OH⁺

N-protonated hydroxylamine

259

H₂OH₂O

water dimer

¹A^'

C_s

260

LiCl

lithium chloride

¹Σ

C_∞v

261

NaF

sodium fluoride

¹Σ

C_∞v

262

NaCl

Sodium Chloride

¹Σ

C_∞v

263

MgF⁺

magnesium fluoride cation

¹Σ

C_∞v

264

ZnF

Zinc monofluoride

²Σ

C_∞v

265

Boron monofluoride

¹Σ

C_∞v

266

ScF

Scandium monofluoride

¹Σ

C_∞v

267

GaF⁺

Gallium monofluoride cation

²Σ

C_∞v

268

GaCl⁺

Gallium monochloride cation

²Σ

C_∞v

269

Fluoromethylidyne

²Π

C_∞v

270

SiF

silicon monofluoride

²Π

C_∞v

271

SiF⁺

silicon monofluoride cation

¹Σ

C_∞v

272

CBr

Carbon monobromide

²Π

C_∞v

273

SiBr

Silicon monobromide

²Π

C_∞v

274

NCl

nitrogen monochloride

³Σ

C_∞v

275

AsF

Arsenic monofluoride

³Σ

C_∞v

276

AsCl

Arsenic monochloride

³Σ

C_∞v

277

Oxygen monofluoride

²Π

C_∞v

278

Monosulfur monofluoride

²Π

C_∞v

279

SeF

Selenium monofluoride

²Π

C_∞v

280

SeCl

Selenium monochloride

²Π

C_∞v

281

F₂

Fluorine diatomic

¹Σ_g

D_∞h

282

F₂^-

flourine diatomic anion

²Σ_u

D_∞h

283

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

284

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

285

Cl₂

Chlorine diatomic

¹Σ_g

D_∞h

286

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

287

HCF

Fluoromethylene

¹A^'

C_s

288

HCF

Fluoromethylene

³A^"

C_s

289

HOCl⁺

hypochlorous acid cation

290

ClFH⁺

Chlorine fluoride, F-protonated

291

FClH⁺

Chlorine fluoride, Cl-protonated

292

CH₂F

fluoromethyl radical

²A

C_s

293

CH₃F

Methyl fluoride

¹A₁

C_3v

294

CH₃Cl

Methyl chloride

¹A₁

C_3v

295

NH₄Cl

Ammonium chloride

296

LiNe⁺

Lithium Neon cation

297

Ne₂⁺

Neon diatomic cation

²Σ_u

D_∞h

298

Ar₂

Argon diatomic

¹S_g

D_∞h

299

Ar₂⁺

Argon diatomic cation

²Σ_u

D_∞h

300

C₃

carbon trimer

¹Σ_g

D_∞h

301

C₃

carbon trimer

¹A₁

C_2v

302

C₃H₃

cyclopropenyl radical

²A^'

C_s

303

C₃H₅

Allyl radical

²A₂

C_2v

304

C₃H₅

Allyl radical

²A^"

C_s

305

C₃H₆

Cyclopropane

¹A₁^'

D_3h

306

CH₂CHCH₃

Propene

¹A^'

C_s

307

C₃H₇

n-Propyl radical

²A^"

C₁

308

LiCN

lithium cyanide

¹Σ

C*V LiCN

309

LiCN

lithium cyanide

¹A^'

C_s

310

LiCN

lithium cyanide

¹Σ

C*V LiNC

311

NaCN

Sodium Cyanide

¹Σ

C_∞v

312

NaCN

Sodium Cyanide

¹A

C_s

313

N₃

azide radical

²Π_g

D_∞h

314

N₃⁺

azide cation

³Σ_g

D_∞h

315

N₃⁺

azide cation

³Σ

C_∞v

316

HCCN

cyanomethylene

³A^"

C_s

317

NH₂CN

cyanamide

¹A₁

C_2v

318

CH₂CHNH

vinylazine

²A^"

CS cis

319

Li₂O

dilithium oxide

¹Σ_g

D_∞h

320

Li₂S

dilithium sulfide

¹Σ_G

D_∞h

321

Li₂S

dilithium sulfide

¹A₁

C_2v

322

Na₂O

disodium monoxide

¹Σ_g

Linear

323

CCO

Dicarbon monoxide

³Σ

C_∞v

324

CCO

Dicarbon monoxide

¹Π

C_∞v

325

NCO

isocyanato radical

²Π

C_∞v

326

N₂O

Nitrous oxide

¹Σ

C_∞v

327

N₂O^-

Nitrous oxide anion

²A^'

C_s

328

CO₂

Carbon dioxide

¹Σ_g

D_∞h

329

OCS

Carbonyl sulfide

¹Σ

C_∞v

330

TiO₂

Titanium dioxide

¹A₁

C_2v

331

SiS₂

Silicon disulfide

¹Σ_G

D_∞h

332

CSe₂

Carbon diselenide

¹A₁

D_∞h

333

NO₂

Nitrogen dioxide

²A₁

C_2v

334

NO₂⁺

Nitrogen dioxide cation

¹Σ_G

D_∞h

335

O₃

Ozone

¹A₁

C_s

336

SO₂

Sulfur dioxide

¹A₁

C_2v

337

S₃

Sulfur trimer

¹A₁

C_2v

338

S₃⁺

Sulfur trimer cation

²B₂

C_2v

339

HCNO

fulminic acid

¹Σ

C_∞v

340

HCNO

fulminic acid

¹A^'

C_s

341

HNNO⁺

Nitrous oxide, N-protonated

¹A^'

C_s

342

NNOH⁺

Nitrous Oxide, O-protonated

¹A^'

C_s

343

O₃H⁺

protonated ozone

¹A^'

C_s

344

Be(OH)₂

Beryllium hydroxide

345

H₂COO

Dioxymethyl radical

²A^'

C_s

346

H₂COO⁺

dioxymethyl cation

²A^'

C_s

347

HCOOH

Formic acid

¹A^'

C_s

348

CH₂BOH

hydroxy(methylene)borane

¹A^'

C_s

349

BH₃CO

Borane carbonyl

¹A₁

C_3v

350

CH₃BO

Borane, methyloxo-

¹A₁

C_3v

351

CH₃NO

nitrosomethane

¹A^'

C_s

352

CuF₂

Copper difluoride

²Π_g

D_∞h

353

CNF

iso cyanogen fluoride

¹Σ

C_∞v

354

FCO

Carbonyl fluoride

²A^'

C_s

355

FCO⁺

Carbonyl fluoride cation

¹Σ

C_∞v

356

ClCO

carbonyl monochloride

²A^'

C_s

357

BF₂

Boron difluoride radical

²A₁

C_2v

358

FSN

Thiazyl fluoride

¹A^'

C_s

359

CF₂

Difluoromethylene

¹A₁

D_∞h

360

CFCl

chlorofluoromethylene

¹A^'

C_s

361

OClO^-

Chlorine dioxide anion

¹A^'

C_s

362

HFCO⁺

formyl fluoride cation

²A^'

C_s

363

C₄H₂

Diacetylene

¹Σ_g

D_∞h

364

C₄H₄

Tetrahedrane

365

CH₃CH₂CH₂CH₃

Butane

¹A_g

Anti

366

Li₃N

trilithium nitride

¹A^'

D_3h

367

C₂N₂

Cyanogen

¹Σ_g

D_∞h

368

P(CH₃)₃

trimethylphosphine

¹A₁

C_3v

369

C₃O

Tricarbon monoxide

¹Σ

C_∞v

370

ONNO

NO dimer

¹A_g

trans C2H

371

NH₂COOH

Carbamic acid

¹A^'

C_s

372

NH₂CONH₂

Urea

¹A₁

C_2v

373

C₃H₆O

Oxetane

¹A₁

C_2v

374

C₃H₆O

Oxetane

¹A^'

C_s

375

BF₃

Borane, trifluoro-

¹A^'

D_3h

376

AlF₃

Aluminum trifluoride

¹A₁^'

D_3h

377

TiF₄

Titanium tetrafluoride

¹A₁

T_d

378

PF₆^-

Hexafluorophosphate ion

¹A_1G

O_h

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 cation	h2+
8	HD	Deuterium hydride	hd
9	H₃⁺	hydrogen trimer cation	h3+
10	He^-	Helium atom anion	he-
11	He⁺	Helium atom cation	he+
12	HeH	Helium hydride	heh
13	HeH⁺	Helium hydride cation	heh+
14	He₂⁺	helium diatomic cation	he2+
15	Li^-	Lithium atom anion	li-
16	Li⁺	Lithium atom cation	li+
17	Na^-	Sodium atom anion	na-
18	Na⁺	Sodium atom cation	na+
19	K	Potassium atom	k
20	K^-	Potassium atom anion	k-
21	K⁺	Potassium atom cation	k+
22	Cu	Copper atom	cu
23	Cu^-	Copper atom anion	cu-
24	Cu⁺	Copper atom cation	cu+
25	LiH	Lithium Hydride	lih
26	LiH^-	lithium hydride anion	lih-
27	LiH⁺	lithium hydride cation	lih+
28	NaH	sodium hydride	nah
29	NaH^-	sodium hydride anion	nah-
30	NaH⁺	sodium hydride cation	nah+
31	KH	Potassium hydride	kh
32	KH⁺	Potassium hydrogen cation	kh+
33	CuH	Copper monohydride	cuh
34	Be^-	Beryllium atom anion	be-
35	Be⁺	Beryllium atom cation	be+
36	Mg^-	Magnesium atom anion	mg-
37	Mg⁺	Magnesium atom cation	mg+
38	Ca	Calcium atom	ca
39	Ca^-	Calcium atom anion	ca-
40	Ca⁺	Calcium atom cation	ca+
41	Zn	Zinc atom	zn
42	Zn^-	Zinc atom anion	zn-
43	Zn⁺	Zinc atom cation	zn+
44	BeH	beryllium monohydride	beh
45	BeH^-	berylium monohydride anion	beh-
46	BeH⁺	beryllium monohydride cation	beh+
47	MgH^-	magnesium monohydride anion	mgh-
48	MgH⁺	magnesium monohydride cation	mgh+
49	CaH	Calcium monohydride	cah
50	CaH⁺	Calcium monohydride cation	cah+
51	TiH	Titanium monohydride	tih
52	ZnH	Zinc monohydride	znh
53	ZnH⁺	Zinc, protonated	znh+
54	BeH₂	beryllium dihydride	beh2
55	BeH₂⁺	Beryllium dihydride cation	beh2+
56	CaH₂	Calcium Hydride	cah2
57	ZnH₂	Zinc hydride	znh2
58	B^-	Boron atom anion	b-
59	Al⁺	Aluminum atom cation	al+
60	Sc⁺	Scandium cation	sc+
61	Ga	Gallium atom	ga
62	Ga^-	Gallium atom anion	ga-
63	Ga⁺	Gallium atom cation	ga+
64	BH^-	boron monohydride anion	bh-
65	BH⁺	boron monohydride cation	bh+
66	AlH	aluminum monohydride	alh
67	AlH^-	aluminum monohydride anion	alh-
68	AlH⁺	aluminum monohydride cation	alh+
69	ScH⁺	Scandium monohydride cation	sch+
70	GaH	Gallium monohydride	gah
71	BH₂	boron dihydride	bh2
72	BH₂^-	boron dihydride anion	bh2-
73	BH₂⁺	Boron dihydride cation	bh2+
74	AlH₂	aluminum dihydride	alh2
75	AlH₂^-	aluminum dihydride anion	alh2-
76	AlH₂⁺	aluminum dihydride cation	alh2+
77	BH₃	boron trihydride	bh3
78	BH₃^-	boron trihydride anion	bh3-
79	AlH₃⁺	aluminum trihydride cation	alh3+
80	GaH₃	Gallium trihydride	gah3
81	AlH₄^-	Aluminum tetrahydride anion	alh4-
82	C^-	Carbon atom anion	c-
83	C⁺	Carbon atom cation	c+
84	Si⁺	Silicon atom cation	si+
85	Ti	Titanium atom	ti
86	Ti^-	Titanium atom anion	ti-
87	Ti⁺	Titanium atom cation	ti+
88	Ge	Germanium atom	ge
89	Ge^-	Germanium anion	ge-
90	Ge⁺	Germanium cation	ge+
91	Sn	Tin atom	sn
92	Sn⁺	Tin cation	sn+
93	CH	Methylidyne	ch
94	CH^-	methylidyne anion	ch-
95	CH⁺	Methylidyne cation	ch+
96	SiH^-	silicon monohydride anion	sih-
97	SiH₂	silicon dihydride	sih2
98	SiH₂^-	silicon dihydride anion	sih2-
99	SiH₂⁺	silicon dihydride cation	sih2+
100	GeH₂^-	germylene anion	geh2-
101	SiH₃^-	Silyl anion	sih3-
102	GeH₃	Germyl radical	geh3
103	GeH₃⁺	germyl cation	geh3+
104	CD₄	methane-d4	cd4
105	CH₂D₂	methane-d2	ch2d2
106	CH₃D	methane-d	ch3d
107	CH₄⁺	Methane cation	ch4+
108	CHD₃	methane-d3	chd3
109	SiH₄⁺	Silane cation	sih4+
110	SnH₄	Stannane	snh4
111	N^-	Nitrogen atom anion	n-
112	P^-	Phosphorus atom anion	p-
113	P⁺	Phosphorus atom cation	p+
114	Sb	Antimony atom	sb
115	NH	Imidogen	nh
116	NH^-	Imidogen anion	nh-
117	NH⁺	imidogen cation	nh+
118	PH^-	phosphorus monohydride anion	ph-
119	PH⁺	phosphorus monohydride cation	ph+
120	AsH	Arsenic monohydride	ash
121	AsH⁺	Arsenic monohydride cation	ash+
122	SbH	Antimony monohydride	sbh
123	ND₂	Amidogen-d2	nd2
124	NH₂^-	amino anion	nh2-
125	PH₂	Phosphino radical	ph2
126	PH₂^-	Phosphino anion	ph2-
127	PH₂⁺	Phosphino cation	ph2+
128	AsH₂	Arsenic dihydride	ash2
129	AsH₂⁺	Arsenic dihydride cation	ash2+
130	ND₃	Ammonia-d3	nd3
131	AsH₃	Arsine	ash3
132	AsH₃⁺	Arsine cation	ash3+
133	SbH₃	Stibine	sbh3
134	AsH₄⁺	Arsonium	ash4+
135	NH₄	Ammonium radical	nh4
136	O^-	Oxygen atom anion	o-
137	Cr	Chromium atom	cr
138	Se	Selenium atom	se
139	Se^-	Selenium atom anion	se-
140	Se⁺	Selenium atom cation	se+
141	Te	Tellurium atom	te
142	Te⁺	Tellurium atom cation	te+
143	DO	Hydroxyl-d	od
144	DS	Mercapto-d	ds
145	CrH	Chromium hydride	crh
146	HSe	Selenium monohydride	hse
147	HSe^-	selenium monohydride anion	hse-
148	TeH	Telluryl radical	teh
149	D₂O	Deuterium oxide	d2o
150	D₂S	Hydrogen sulfide-d2	d2s
151	H₂S^-	Hydrogen sulfide anion	h2s-
152	H₂Se⁺	Hydrogen selenide cation	h2se+
153	H₂Te	Hydrogen Telluride	h2te
154	Mn	Manganese atom	mn
155	Br	Bromine atom	br
156	Br^-	Bromine atom anion	br-
157	Br⁺	Bromine atom cation	br+
158	I	Iodine atom	iodine
159	I^-	Iodine atom anion	iodine-
160	I⁺	Iodine atom cation	iodine+
161	DF	Hydrofluoric acid-d	df
162	HF^-	hydrogen fluoride anion	hf-
163	HF⁺	hydrogen fluoride cation	hf+
164	DCl	Hydrochloric acid-d	dcl
165	HCl^-	hydrogen chloride anion	hcl-
166	HBr^-	hydrogen bromide anion	hbr-
167	HBr⁺	hydrogen bromide cation	hbr+
168	HI	Hydrogen iodide	hi
169	HI⁺	Hydrogen iodide cation	hi+
170	H₂F⁺	dihydrogen fluoride cation	h2f+
171	H₂I⁺	Iodonium	h2i+
172	Ne^-	Neon atom anion	ne-
173	Ar^-	Argon atom anion	ar-
174	Ar⁺	Argon atom cation	ar+
175	Fe	Iron atom	fe
176	Xe	Xenon atom	xe
177	HeLi⁺	Helium Lithium cation	heli+
178	NeH	neon hydrogen	neh
179	NeH⁺	neon hydrogen cation	neh+
180	XeH⁺	Xenon, protonated	xeh+
181	H₂Ar	H2 Ar dimer	h2ar
182	Co	Cobalt atom	cobalt
183	Ni	Nickel atom	ni
184	Li₂	Lithium diatomic	li2
185	Li₂^-	lithium diatomic anion	li2-
186	Li₂⁺	lithium diatomic cation	li2+
187	NaLi	lithium sodium	lina
188	NaLi^-	lithium sodium anion	lina-
189	NaLi⁺	lithium sodium cation	lina+
190	LiK	Lithium Potassium	lik
191	NaK	Sodium Potassium	nak
192	NaK⁺	Sodium Potassium diatomic cation	nak+
193	K₂	Potassium diatomic	k2
194	Cu₂	Copper diatomic	cu2
195	LiBe	Lithium Beryllium	libe
196	LiMg	Lithium magnesium	limg
197	NaBe	Sodium Beryllium	nabe
198	NaMg	Sodium Magnesium	namg
199	Be₂	Beryllium diatomic	be2
200	Be₂^-	Beryllium diatomic anion	be2-
201	Be₂⁺	Beryllium diatomic cation	be2+
202	Mg₂	Magnesium diatomic	mg2
203	Mg₂^-	magnesium diatomic anion	mg2-
204	Mg₂⁺	magnesium diatomic cation	mg2+
205	Ca₂	Calcium diatomic	ca2
206	LiB	Lithium boride	lib
207	LiAl	Lithium Aluminum	lial
208	B₂	Boron diatomic	b2
209	B₂^-	Boron diatomic anion	b2-
210	Al₂	Aluminum diatomic	al2
211	Al₂^-	aluminum diatomic anion	al2-
212	Al₂⁺	aluminum diatomic cation	al2+
213	LiBH₄	Lithium borohydride	libh4
214	Al₂H₆	dialane	al2h6
215	LiC	Lithium Carbide	lic
216	CaC	Calcium monocarbide	cac
217	BC	boron monocarbide	bc
218	BC^-	boron monocarbide anion	bc-
219	BC⁺	boron monocarbide cation	bc+
220	C₂^-	carbon diatomic anion	c2-
221	SiC	silicon monocarbide	sic
222	SiC^-	silicon monocarbide anion	sic-
223	SiC⁺	silicon monocarbide cation	sic+
224	Si₂	Silicon diatomic	si2
225	Si₂^-	silcon diatomic anion	si2-
226	Si₂⁺	silcon diatomic cation	si2+
227	GeC	Germanium monocarbide	gec
228	Ge₂	Germanium diatomic	ge2
229	C₂H⁺	Ethynyl cation	c2h+
230	ZnCH₂	Zinc methylene	znch2
231	CCH₂	vinylidene	vinylidene
232	HCCH^-	acetylene anion	c2h2-
233	Si₂H₂	disilyne	si2h2
234	CuCH₃	monomethyl copper	cuch3
235	ZnCH₃	Zinc monomethyl	znch3
236	C₂H₃⁺	vinyl cation	c2h3+
237	CH₃CH	methylmethylene	ch3ch
238	CH₂SiH₂	silaethylene	ch2sih2
239	Si₂H₄	Disilene	si2h4
240	C₂H₅^-	Ethyl anion	c2h5-
241	C₂H₅⁺	Ethyl cation	c2h5+
242	C₂H₆⁺	ethane cation	c2h6+
243	CH₃SiH₃	methyl silane	ch3sih3
244	GeH₃CH₃	methyl germane	geh3ch3
245	C₂H₇⁺	Ethane, protonated	c2h7+
246	LiN	Lithium Nitride	lin
247	LiN⁺	Lithium Nitride cation	lin+
248	BeN	Beryllium mononitride	ben
249	BeN^-	Beryllium mononitride anion	ben-
250	BN^-	boron nitride anion	bn-
251	AlN^-	aluminum mononitride anion	aln-
252	AlN⁺	aluminum mononitride cation	aln+
253	BN⁺	boron nitride cation	bn+
254	AlN	Aluminum nitride	aln
255	CN⁺	Cyano cation	cn+
256	CP	Carbon monophosphide	cp
257	CP^-	carbon monophosphide anion	cp-
258	CP⁺	carbon monophosphide cation	cp+
259	SiN	Silicon nitride	sin
260	SiN^-	silicon mononitride anion	sin-
261	SiN⁺	silicon mononitride cation	sin+
262	SiP^-	Silicon monophosphide anion	sip-
263	SiP⁺	Silicon monophosphide cation	sip+
264	TiN	Titanium mononitride	tin
265	N₂⁺	diatomic nitrogen cation	n2+
266	PN	Phosphorus mononitride	pn
267	PN^-	phosphorus nitride anion	pn-
268	PN⁺	phosphorus nitride cation	pn+
269	P₂	Phosphorus diatomic	p2
270	P₂^-	phosphorus diatomic anion	p2-
271	P₂⁺	phosphorus diatomic cation	p2+
272	AsN	Arsenic mononitride	asn
273	AsP	Arsenic monophosphide	asp
274	SbN	Antimony nitride	sbn
275	As₂	Arsenic diatomic	as2
276	HNB	hydrogen nitrogen boron	hnb
277	HNC	hydrogen isocyanide	hnc
278	HCN^-	Hydrogen cyanide anion	hcn-
279	HCP	Phosphaethyne	hcp
280	HCP⁺	Phosphaethyne cation	hcp+
281	NNH	Dinitrogen monohydride	nnh
282	HPO	Hydrogen phosphorus oxide	hpo
283	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
284	LiNH₂	lithium amide	linh2
285	HBNH	Boranimine	hbnh
286	CNH₂	Aminomethylidyne radical	cnh2
287	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
288	H₂CN	Dihydrogen cyanide radical	h2cn
289	H₂CN⁺	hydrocyanonium cation	h2cn+
290	HCNH	methyleneazane	hcnh
291	HCNH⁺	N-protonated HCN	hcnh+
292	H₂NN	Isodiazene	h2nn
293	CH₂NH	Methanimine	ch3n
294	CHNH₂	aminomethylene	chnh2
295	CHNH₂⁺	Aminocarbene cation	chnh2+
296	CH₂PH	Phosphaethene	ch3p
297	BH₂NH₂	Boranamine	bh2nh2
298	N₂H₄	Hydrazine	n2h4
299	P₂H₄	Diphosphine	p2h4
300	CH₃PH₂	Methyl phosphine	ch3ph2
301	SiH₃NH₂	Silane, amino	sih3nh2
302	N₂H₅⁺	protonated hydrazine	n2h5+
303	BH₃PH₃	borane phosphine	bh3ph3
304	BH₃NH₃	borane ammonia	bh3nh3
305	CH₃NH₃	methyl ammonium radical	ch3nh3
306	CH₃NH₃⁺	protonated methylamine	ch3nh3+
307	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
308	LiO^-	lithium oxide anion	lio-
309	LiO⁺	lithium oxide cation	lio+
310	NaO^-	sodium oxide anion	nao-
311	NaO⁺	sodium oxide cation	nao+
312	KO	Potassium monoxide	ko
313	KO⁺	Potassium monoxide cation	ko+
314	CuO	Copper Monoxide	cuo
315	LiSe	Lithium monoselenide	lise
316	BeO	beryllium oxide	beo
317	BeO^-	Beryllium monoxide anion	beo-
318	BeO⁺	Beryllium monoxide cation	beo+
319	BeS	beryllium sulfide	bes
320	MgO	magnesium oxide	mgo
321	MgO^-	magnesium oxide anion	mgo-
322	MgO⁺	magnesium oxide cation	mgo+
323	CaO	Calcium monoxide	cao
324	MgS	magnesium sulfide	mgs
325	MgS^-	magnesium sulfide anion	mgs-
326	MgS⁺	magnesium sulfide cation	mgs+
327	CaS	Calcium sulfide	cas
328	ZnO	zinc monoxide	zno
329	ZnS	Zinc sulfide	zns
330	BeS^-	Beryllium monosulfide anion	bes-
331	BeS⁺	Beryllium monosulfide cation	bes+
332	BO^-	boron monoxide anion	bo-
333	AlO	Aluminum monoxide	alo
334	AlO^-	Aluminum monoxide anion	alo-
335	AlO⁺	aluminum monoxide cation	alo+
336	BS	boron sulfide	bs
337	BS^-	boron monosulfide anion	bs-
338	BS⁺	boron monosulfide cation	bs+
339	AlS	Aluminum sulfide	als
340	AlS^-	aluminum monosulfide anion	als-
341	AlS⁺	aluminum monosulfide cation	als+
342	GaO	Gallium monoxide	gao
343	GaS	Gallium monosulfide	gas
344	BO⁺	boron monoxide cation	bo+
345	CS	carbon monosulfide	cs
346	CS^-	carbon monosulfide anion	cs-
347	CS⁺	carbon monosulfide cation	cs+
348	SiO	Silicon monoxide	sio
349	SiO^-	silicon monoxide anion	sio-
350	SiO⁺	silicon monoxide cation	sio+
351	SiS	silicon monosulfide	sis
352	SiS^-	silicon monosulfide anion	sis-
353	SiS⁺	silicon monosulfide cation	sis+
354	CSe	Carbon monoselenide	cse
355	CSe^-	Carbon monoselenide anion	cse-
356	CSe⁺	Carbon monoselenide cation	cse+
357	GeO	Germanium monoxide	geo
358	GeSe	Germanium monoselenide	gese
359	NS^-	nitrogen sulfide anion	ns-
360	NS⁺	nitrogen sulfide cation	ns+
361	PO^-	phosphorus monoxide anion	po-
362	PO⁺	phosphorus monoxide cation	po+
363	PS^-	phosphorus monosulfide anion	ps-
364	PS⁺	phosphorus monosulfide cation	ps+
365	AsO	Arsenic monoxide	aso
366	O₂^--	dioxygen dianion	o2--
367	O₂⁺	diatomic oxygen cation	o2+
368	SO	Sulfur monoxide	so
369	SO^-	sulfur monoxide anion	so-
370	S₂^-	sulfur diatomic anion	s2-
371	S₂⁺	sulfur diatomic cation	s2+
372	SeO	Selenium monoxide	seo
373	SeO^-	selenium monoxide anion	seo-
374	SeO⁺	selenium monoxide cation	seo+
375	SeS	Selenium monosulfide	ses
376	SeS^-	selenium monosulfide anion	ses-
377	SeS⁺	selenium monosulfide cation	ses+
378	TeO	Tellurium monoxide	teo
379	Se₂	Selenium diatomic	se2
380	Se₂^-	selenium diatomic anion	se2-
381	Se₂⁺	selenium diatomic cation	se2+
382	Te₂	Tellurium diatomic	te2
383	NaOH	sodium hydroxide	naoh
384	KOH	Potassium hydroxide	koh
385	MgOH	magnesium hydroxide	mgoh
386	CaOH	Calcium monohydroxide	caoh
387	HBS	hydrogen boron sulfide	hbs
388	HCO	Formyl radical	hco
389	HCO⁺	Formyl cation	hco+
390	HCS	Thioformyl radical	hcs
391	HCS^-	Thioformyl anion	hcs-
392	HCS⁺	Thioformyl cation	hcs+
393	HNO	Nitrosyl hydride	hno
394	HNO^-	Nitrosyl hydride anion	hno-
395	HNS	Sulfur imide	hns
396	HNS^-	Sulfur imide anion	hns-
397	HO₂^-	Hydroperoxy anion	ho2-
398	SOH	Sulfur Hydroxide	soh
399	HS₂	Thiosulfeno radical	hs2
400	HOCH	hydroxycarbene	hoch
401	H₂CS^-	thioformaldehyde anion	h2cs-
402	H₂CS⁺	thioformaldehyde cation	h2cs+
403	H₂CSe	Selenoformaldehyde	h2cse
404	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
405	H₂OO	water oxide	h2oo
406	HOSH	hydrogen thioperoxide	hosh
407	H₂Se₂	hydrogen diselenide	h2se2
408	CH₂OH⁺	hydroxymethyl cation	ch2oh+
409	CH₃O	Methoxy radical	ch3o
410	CH₃O^-	methoxy anion	ch3o-
411	CH₃S	thiomethoxy	ch3s
412	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
413	NH₃O	Ammonia Oxide	nh3o
414	H₂POH	Phosphinous acid	h2poh
415	H₃PO	Phosphine oxide	h3po
416	NH₂SH	Thiohydroxylamine	nh2sh
417	NH₃S	sulfidoazane	nh3s
418	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
419	CH₃OH	Methyl alcohol	ch3oh
420	CH₃OH⁺	Methyl alcohol cation	ch3oh+
421	SiH₃OH	silanol	sih3oh
422	CH₃SeH	Methane selenol	ch3seh
423	NH₂OH₂⁺	protonated hydroxylamine	nh2oh2+
424	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
425	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
426	H₂ONH₃	Water Ammonia Dimer	h2onh3
427	H₅O₂⁺	Dihydroxonium ion	h5o2+
428	LiF	lithium fluoride	lif
429	LiCl^-	lithium chloride anion	licl-
430	LiCl⁺	lithium chloride cation	licl+
431	NaF^-	sodium fluoride anion	naf-
432	NaF⁺	sodium fluoride cation	naf+
433	KF	Potassium Fluoride	kf
434	NaCl^-	sodium chloride anion	nacl-
435	NaCl⁺	sodium chloride cation	nacl+
436	KCl	Potassium Chloride	kcl
437	CuF	Copper monofluoride	cuf
438	LiBr	Lithium Bromide	libr
439	LiBr^-	lithium bromide anion	libr-
440	LiBr⁺	lithium bromide cation	libr+
441	CuCl	Copper monochloride	cucl
442	NaBr	Sodium Bromide	nabr
443	NaBr^-	sodium bromide anion	nabr-
444	NaBr⁺	sodium bromide cation	nabr+
445	KBr	Potassium Bromide	kbr
446	LiI	Lithium Iodide	lii
447	NaI	Sodium Iodide	nai
448	KI	Potassium Iodide	ki
449	LiF^-	lithium fluoride anion	lif-
450	LiF⁺	lithium fluoride cation	lif+
451	BeF	Beryllium monofluoride	bef
452	BeF^-	Beryllium monofluoride anion	bef-
453	BeF⁺	Beryllium monofluoride cation	bef+
454	BeCl	beryllium monochloride	becl
455	MgF	Magnesium monofluoride	mgf
456	MgF^-	magnesium fluoride anion	mgf-
457	CaF	Calcium monofluoride	caf
458	MgCl	magnesium monochloride	mgcl
459	MgCl^-	magnesium monochloride anion	mgcl-
460	MgCl⁺	magnesium monochloride cation	mgcl+
461	CaCl	calcium monochloride	cacl
462	TiCl	Titanium Monochloride	ticl
463	ZnF^-	Zinc monofluoride anion	znf-
464	ZnF⁺	Zinc monofluoride cation	znf+
465	ZnCl	Zinc monochloride	zncl
466	CaBr	Calcium monobromide	cabr
467	BeCl^-	beryllium monochloride anion	becl-
468	BeCl⁺	beryllium monochloride cation	becl+
469	BF^-	Boron monofluoride anion	bf-
470	BF⁺	Boron monofluoride cation	bf+
471	AlF	Aluminum monofluoride	alf
472	AlF^-	Aluminum monofluoride anion	alf-
473	AlF⁺	Aluminum monofluoride cation	alf+
474	BCl	boron monochloride	bcl
475	BCl^-	boron monochloride anion	bcl-
476	BCl⁺	boron monochloride cation	bcl+
477	AlCl	Aluminum monochloride	alcl
478	AlCl^-	aluminum monochloride anion	alcl-
479	AlCl⁺	aluminum monochloride cation	alcl+
480	BBr	Boron monobromide	bbr
481	GaF	Gallium monofluoride	gaf
482	AlBr	Aluminum monobromide	albr
483	GaCl	Gallium monochloride	gacl
484	AlI	Aluminum monoiodide	ali
485	GaBr	Gallium monobromide	gabr
486	CF^-	carbon monofluoride anion	cf-
487	CF⁺	carbon monofluoride cation	cf+
488	CCl	carbon monochloride	ccl
489	CCl^-	carbon monochloride anion	ccl-
490	CCl⁺	carbon monochloride cation	ccl+
491	SiF^-	silicon monofluoride anion	sif-
492	SiCl	Clorosilylidyne	sicl
493	SiCl^-	silicon monochloride anion	sicl-
494	SiCl⁺	silicon monochloride cation	sicl+
495	GeF	Germanium monofluoride	gef
496	GeF⁺	Germanium monofluoride cation	gef+
497	GeCl	Germanium monochloride	gecl
498	GeCl⁺	Germanium monochloride cation	gecl+
499	SiBr⁺	Silicon monobromide cation	sibr+
500	NF	nitrogen fluoride	nf

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 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

SiH₂^-

silicon dihydride anion

sih2-

SiH₂⁺

silicon dihydride cation

sih2+

100

GeH₂^-

germylene anion

geh2-

101

SiH₃^-

Silyl anion

sih3-

102

GeH₃

Germyl radical

geh3

103

GeH₃⁺

germyl cation

geh3+

104

CD₄

methane-d4

cd4

105

CH₂D₂

methane-d2

ch2d2

106

CH₃D

methane-d

ch3d

107

CH₄⁺

Methane cation

ch4+

108

CHD₃

methane-d3

chd3

109

SiH₄⁺

Silane cation

sih4+

110

SnH₄

Stannane

snh4

111

N^-

Nitrogen atom anion

112

P^-

Phosphorus atom anion

113

P⁺

Phosphorus atom cation

114

Antimony atom

115

Imidogen

116

NH^-

Imidogen anion

nh-

117

NH⁺

imidogen cation

nh+

118

PH^-

phosphorus monohydride anion

ph-

119

PH⁺

phosphorus monohydride cation

ph+

120

AsH

Arsenic monohydride

ash

121

AsH⁺

Arsenic monohydride cation

ash+

122

SbH

Antimony monohydride

sbh

123

ND₂

Amidogen-d2

nd2

124

NH₂^-

amino anion

nh2-

125

PH₂

Phosphino radical

ph2

126

PH₂^-

Phosphino anion

ph2-

127

PH₂⁺

Phosphino cation

ph2+

128

AsH₂

Arsenic dihydride

ash2

129

AsH₂⁺

Arsenic dihydride cation

ash2+

130

ND₃

Ammonia-d3

nd3

131

AsH₃

Arsine

ash3

132

AsH₃⁺

Arsine cation

ash3+

133

SbH₃

Stibine

sbh3

134

AsH₄⁺

Arsonium

ash4+

135

NH₄

Ammonium radical

nh4

136

O^-

Oxygen atom anion

137

Chromium atom

138

Selenium atom

139

Se^-

Selenium atom anion

se-

140

Se⁺

Selenium atom cation

se+

141

Tellurium atom

142

Te⁺

Tellurium atom cation

te+

143

Hydroxyl-d

144

Mercapto-d

145

CrH

Chromium hydride

crh

146

HSe

Selenium monohydride

hse

147

HSe^-

selenium monohydride anion

hse-

148

TeH

Telluryl radical

teh

149

D₂O

Deuterium oxide

d2o

150

D₂S

Hydrogen sulfide-d2

d2s

151

H₂S^-

Hydrogen sulfide anion

h2s-

152

H₂Se⁺

Hydrogen selenide cation

h2se+

153

H₂Te

Hydrogen Telluride

h2te

154

Manganese atom

155

Bromine atom

156

Br^-

Bromine atom anion

br-

157

Br⁺

Bromine atom cation

br+

158

Iodine atom

iodine

159

I^-

Iodine atom anion

iodine-

160

I⁺

Iodine atom cation

iodine+

161

Hydrofluoric acid-d

162

HF^-

hydrogen fluoride anion

hf-

163

HF⁺

hydrogen fluoride cation

hf+

164

DCl

Hydrochloric acid-d

dcl

165

HCl^-

hydrogen chloride anion

hcl-

166

HBr^-

hydrogen bromide anion

hbr-

167

HBr⁺

hydrogen bromide cation

hbr+

168

Hydrogen iodide

169

HI⁺

Hydrogen iodide cation

hi+

170

H₂F⁺

dihydrogen fluoride cation

h2f+

171

H₂I⁺

Iodonium

h2i+

172

Ne^-

Neon atom anion

ne-

173

Ar^-

Argon atom anion

ar-

174

Ar⁺

Argon atom cation

ar+

175

Iron atom

176

Xenon atom

177

HeLi⁺

Helium Lithium cation

heli+

178

NeH

neon hydrogen

neh

179

NeH⁺

neon hydrogen cation

neh+

180

XeH⁺

Xenon, protonated

xeh+

181

H₂Ar

H2 Ar dimer

h2ar

182

Cobalt atom

cobalt

183

Nickel atom

184

Li₂

Lithium diatomic

li2

185

Li₂^-

lithium diatomic anion

li2-

186

Li₂⁺

lithium diatomic cation

li2+

187

NaLi

lithium sodium

lina

188

NaLi^-

lithium sodium anion

lina-

189

NaLi⁺

lithium sodium cation

lina+

190

LiK

Lithium Potassium

lik

191

NaK

Sodium Potassium

nak

192

NaK⁺

Sodium Potassium diatomic cation

nak+

193

K₂

Potassium diatomic

194

Cu₂

Copper diatomic

cu2

195

LiBe

Lithium Beryllium

libe

196

LiMg

Lithium magnesium

limg

197

NaBe

Sodium Beryllium

nabe

198

NaMg

Sodium Magnesium

namg

199

Be₂

Beryllium diatomic

be2

200

Be₂^-

Beryllium diatomic anion

be2-

201

Be₂⁺

Beryllium diatomic cation

be2+

202

Mg₂

Magnesium diatomic

mg2

203

Mg₂^-

magnesium diatomic anion

mg2-

204

Mg₂⁺

magnesium diatomic cation

mg2+

205

Ca₂

Calcium diatomic

ca2

206

LiB

Lithium boride

lib

207

LiAl

Lithium Aluminum

lial

208

B₂

Boron diatomic

209

B₂^-

Boron diatomic anion

b2-

210

Al₂

Aluminum diatomic

al2

211

Al₂^-

aluminum diatomic anion

al2-

212

Al₂⁺

aluminum diatomic cation

al2+

213

LiBH₄

Lithium borohydride

libh4

214

Al₂H₆

dialane

al2h6

215

LiC

Lithium Carbide

lic

216

CaC

Calcium monocarbide

cac

217

boron monocarbide

218

BC^-

boron monocarbide anion

bc-

219

BC⁺

boron monocarbide cation

bc+

220

C₂^-

carbon diatomic anion

c2-

221

SiC

silicon monocarbide

sic

222

SiC^-

silicon monocarbide anion

sic-

223

SiC⁺

silicon monocarbide cation

sic+

224

Si₂

Silicon diatomic

si2

225

Si₂^-

silcon diatomic anion

si2-

226

Si₂⁺

silcon diatomic cation

si2+

227

GeC

Germanium monocarbide

gec

228

Ge₂

Germanium diatomic

ge2

229

C₂H⁺

Ethynyl cation

c2h+

230

ZnCH₂

Zinc methylene

znch2

231

CCH₂

vinylidene

232

HCCH^-

acetylene anion

c2h2-

233

Si₂H₂

disilyne

si2h2

234

CuCH₃

monomethyl copper

cuch3

235

ZnCH₃

Zinc monomethyl

znch3

236

C₂H₃⁺

vinyl cation

c2h3+

237

CH₃CH

methylmethylene

ch3ch

238

CH₂SiH₂

silaethylene

ch2sih2

239

Si₂H₄

Disilene

si2h4

240

C₂H₅^-

Ethyl anion

c2h5-

241

C₂H₅⁺

Ethyl cation

c2h5+

242

C₂H₆⁺

ethane cation

c2h6+

243

CH₃SiH₃

methyl silane

ch3sih3

244

GeH₃CH₃

methyl germane

geh3ch3

245

C₂H₇⁺

Ethane, protonated

c2h7+

246

LiN

Lithium Nitride

lin

247

LiN⁺

Lithium Nitride cation

lin+

248

BeN

Beryllium mononitride

ben

249

BeN^-

Beryllium mononitride anion

ben-

250

BN^-

boron nitride anion

bn-

251

AlN^-

aluminum mononitride anion

aln-

252

AlN⁺

aluminum mononitride cation

aln+

253

BN⁺

boron nitride cation

bn+

254

AlN

Aluminum nitride

aln

255

CN⁺

Cyano cation

cn+

256

Carbon monophosphide

257

CP^-

carbon monophosphide anion

cp-

258

CP⁺

carbon monophosphide cation

cp+

259

SiN

Silicon nitride

sin

260

SiN^-

silicon mononitride anion

sin-

261

SiN⁺

silicon mononitride cation

sin+

262

SiP^-

Silicon monophosphide anion

sip-

263

SiP⁺

Silicon monophosphide cation

sip+

264

TiN

Titanium mononitride

tin

265

N₂⁺

diatomic nitrogen cation

n2+

266

Phosphorus mononitride

267

PN^-

phosphorus nitride anion

pn-

268

PN⁺

phosphorus nitride cation

pn+

269

P₂

Phosphorus diatomic

270

P₂^-

phosphorus diatomic anion

p2-

271

P₂⁺

phosphorus diatomic cation

p2+

272

AsN

Arsenic mononitride

asn

273

AsP

Arsenic monophosphide

asp

274

SbN

Antimony nitride

sbn

275

As₂

Arsenic diatomic

as2

276

HNB

hydrogen nitrogen boron

hnb

277

HNC

hydrogen isocyanide

hnc

278

HCN^-

Hydrogen cyanide anion

hcn-

279

HCP

Phosphaethyne

hcp

280

HCP⁺

Phosphaethyne cation

hcp+

281

NNH

Dinitrogen monohydride

nnh

282

HPO

Hydrogen phosphorus oxide

hpo

283

HPO⁺

Hydrogen phosphorus oxide cation

hpo+

284

LiNH₂

lithium amide

linh2

285

HBNH

Boranimine

hbnh

286

CNH₂

Aminomethylidyne radical

cnh2

287

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

288

H₂CN

Dihydrogen cyanide radical

h2cn

289

H₂CN⁺

hydrocyanonium cation

h2cn+

290

HCNH

methyleneazane

hcnh

291

HCNH⁺

N-protonated HCN

hcnh+

292

H₂NN

Isodiazene

h2nn

293

CH₂NH

Methanimine

ch3n

294

CHNH₂

aminomethylene

chnh2

295

CHNH₂⁺

Aminocarbene cation

chnh2+

296

CH₂PH

Phosphaethene

ch3p

297

BH₂NH₂

Boranamine

bh2nh2

298

N₂H₄

Hydrazine

n2h4

299

P₂H₄

Diphosphine

p2h4

300

CH₃PH₂

Methyl phosphine

ch3ph2

301

SiH₃NH₂

Silane, amino

sih3nh2

302

N₂H₅⁺

protonated hydrazine

n2h5+

303

BH₃PH₃

borane phosphine

bh3ph3

304

BH₃NH₃

borane ammonia

bh3nh3

305

CH₃NH₃

methyl ammonium radical

ch3nh3

306

CH₃NH₃⁺

protonated methylamine

ch3nh3+

307

CH₃PH₃⁺

methyl phosphine, protonated

ch3ph3+

308

LiO^-

lithium oxide anion

lio-

309

LiO⁺

lithium oxide cation

lio+

310

NaO^-

sodium oxide anion

nao-

311

NaO⁺

sodium oxide cation

nao+

312

Potassium monoxide

313

KO⁺

Potassium monoxide cation

ko+

314

CuO

Copper Monoxide

cuo

315

LiSe

Lithium monoselenide

lise

316

BeO

beryllium oxide

beo

317

BeO^-

Beryllium monoxide anion

beo-

318

BeO⁺

Beryllium monoxide cation

beo+

319

BeS

beryllium sulfide

bes

320

MgO

magnesium oxide

mgo

321

MgO^-

magnesium oxide anion

mgo-

322

MgO⁺

magnesium oxide cation

mgo+

323

CaO

Calcium monoxide

cao

324

MgS

magnesium sulfide

mgs

325

MgS^-

magnesium sulfide anion

mgs-

326

MgS⁺

magnesium sulfide cation

mgs+

327

CaS

Calcium sulfide

cas

328

ZnO

zinc monoxide

zno

329

ZnS

Zinc sulfide

zns

330

BeS^-

Beryllium monosulfide anion

bes-

331

BeS⁺

Beryllium monosulfide cation

bes+

332

BO^-

boron monoxide anion

bo-

333

AlO

Aluminum monoxide

alo

334

AlO^-

Aluminum monoxide anion

alo-

335

AlO⁺

aluminum monoxide cation

alo+

336

boron sulfide

337

BS^-

boron monosulfide anion

bs-

338

BS⁺

boron monosulfide cation

bs+

339

AlS

Aluminum sulfide

als

340

AlS^-

aluminum monosulfide anion

als-

341

AlS⁺

aluminum monosulfide cation

als+

342

GaO

Gallium monoxide

gao

343

GaS

Gallium monosulfide

gas

344

BO⁺

boron monoxide cation

bo+

345

carbon monosulfide

346

CS^-

carbon monosulfide anion

cs-

347

CS⁺

carbon monosulfide cation

cs+

348

SiO

Silicon monoxide

sio

349

SiO^-

silicon monoxide anion

sio-

350

SiO⁺

silicon monoxide cation

sio+

351

SiS

silicon monosulfide

sis

352

SiS^-

silicon monosulfide anion

sis-

353

SiS⁺

silicon monosulfide cation

sis+

354

CSe

Carbon monoselenide

cse

355

CSe^-

Carbon monoselenide anion

cse-

356

CSe⁺

Carbon monoselenide cation

cse+

357

GeO

Germanium monoxide

geo

358

GeSe

Germanium monoselenide

gese

359

NS^-

nitrogen sulfide anion

ns-

360

NS⁺

nitrogen sulfide cation

ns+

361

PO^-

phosphorus monoxide anion

po-

362

PO⁺

phosphorus monoxide cation

po+

363

PS^-

phosphorus monosulfide anion

ps-

364

PS⁺

phosphorus monosulfide cation

ps+

365

AsO

Arsenic monoxide

aso

366

O₂^--

dioxygen dianion

o2--

367

O₂⁺

diatomic oxygen cation

o2+

368

Sulfur monoxide

369

SO^-

sulfur monoxide anion

so-

370

S₂^-

sulfur diatomic anion

s2-

371

S₂⁺

sulfur diatomic cation

s2+

372

SeO

Selenium monoxide

seo

373

SeO^-

selenium monoxide anion

seo-

374

SeO⁺

selenium monoxide cation

seo+

375

SeS

Selenium monosulfide

ses

376

SeS^-

selenium monosulfide anion

ses-

377

SeS⁺

selenium monosulfide cation

ses+

378

TeO

Tellurium monoxide

teo

379

Se₂

Selenium diatomic

se2

380

Se₂^-

selenium diatomic anion

se2-

381

Se₂⁺

selenium diatomic cation

se2+

382

Te₂

Tellurium diatomic

te2

383

NaOH

sodium hydroxide

naoh

384

KOH

Potassium hydroxide

koh

385

MgOH

magnesium hydroxide

mgoh

386

CaOH

Calcium monohydroxide

caoh

387

HBS

hydrogen boron sulfide

hbs

388

HCO

Formyl radical

hco

389

HCO⁺

Formyl cation

hco+

390

HCS

Thioformyl radical

hcs

391

HCS^-

Thioformyl anion

hcs-

392

HCS⁺

Thioformyl cation

hcs+

393

HNO

Nitrosyl hydride

hno

394

HNO^-

Nitrosyl hydride anion

hno-

395

HNS

Sulfur imide

hns

396

HNS^-

Sulfur imide anion

hns-

397

HO₂^-

Hydroperoxy anion

ho2-

398

SOH

Sulfur Hydroxide

soh

399

HS₂

Thiosulfeno radical

hs2

400

HOCH

hydroxycarbene

hoch

401

H₂CS^-

thioformaldehyde anion

h2cs-

402

H₂CS⁺

thioformaldehyde cation

h2cs+

403

H₂CSe

Selenoformaldehyde

h2cse

404

H₂O₂⁺

Hydrogen peroxide cation

h2o2+

405

H₂OO

water oxide

h2oo

406

HOSH

hydrogen thioperoxide

hosh

407

H₂Se₂

hydrogen diselenide

h2se2

408

CH₂OH⁺

hydroxymethyl cation

ch2oh+

409

CH₃O

Methoxy radical

ch3o

410

CH₃O^-

methoxy anion

ch3o-

411

CH₃S

thiomethoxy

ch3s

412

H₂CSH⁺

Thioformaldehyde, protonated

h2csh+

413

NH₃O

Ammonia Oxide

nh3o

414

H₂POH

Phosphinous acid

h2poh

415

H₃PO

Phosphine oxide

h3po

416

NH₂SH

Thiohydroxylamine

nh2sh

417

NH₃S

sulfidoazane

nh3s

418

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

419

CH₃OH

Methyl alcohol

ch3oh

420

CH₃OH⁺

Methyl alcohol cation

ch3oh+

421

SiH₃OH

silanol

sih3oh

422

CH₃SeH

Methane selenol

ch3seh

423

NH₂OH₂⁺

protonated hydroxylamine

nh2oh2+

424

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

425

CH₃SH₂⁺

protonated methylsulfide

ch3sh2+

426

H₂ONH₃

Water Ammonia Dimer

h2onh3

427

H₅O₂⁺

Dihydroxonium ion

h5o2+

428

LiF

lithium fluoride

lif

429

LiCl^-

lithium chloride anion

licl-

430

LiCl⁺

lithium chloride cation

licl+

431

NaF^-

sodium fluoride anion

naf-

432

NaF⁺

sodium fluoride cation

naf+

433

Potassium Fluoride

434

NaCl^-

sodium chloride anion

nacl-

435

NaCl⁺

sodium chloride cation

nacl+

436

KCl

Potassium Chloride

kcl

437

CuF

Copper monofluoride

cuf

438

LiBr

Lithium Bromide

libr

439

LiBr^-

lithium bromide anion

libr-

440

LiBr⁺

lithium bromide cation

libr+

441

CuCl

Copper monochloride

cucl

442

NaBr

Sodium Bromide

nabr

443

NaBr^-

sodium bromide anion

nabr-

444

NaBr⁺

sodium bromide cation

nabr+

445

KBr

Potassium Bromide

kbr

446

LiI

Lithium Iodide

lii

447

NaI

Sodium Iodide

nai

448

Potassium Iodide

449

LiF^-

lithium fluoride anion

lif-

450

LiF⁺

lithium fluoride cation

lif+

451

BeF

Beryllium monofluoride

bef

452

BeF^-

Beryllium monofluoride anion

bef-

453

BeF⁺

Beryllium monofluoride cation

bef+

454

BeCl

beryllium monochloride

becl

455

MgF

Magnesium monofluoride

mgf

456

MgF^-

magnesium fluoride anion

mgf-

457

CaF

Calcium monofluoride

caf

458

MgCl

magnesium monochloride

mgcl

459

MgCl^-

magnesium monochloride anion

mgcl-

460

MgCl⁺

magnesium monochloride cation

mgcl+

461

CaCl

calcium monochloride

cacl

462

TiCl

Titanium Monochloride

ticl

463

ZnF^-

Zinc monofluoride anion

znf-

464

ZnF⁺

Zinc monofluoride cation

znf+

465

ZnCl

Zinc monochloride

zncl

466

CaBr

Calcium monobromide

cabr

467

BeCl^-

beryllium monochloride anion

becl-

468

BeCl⁺

beryllium monochloride cation

becl+

469

BF^-

Boron monofluoride anion

bf-

470

BF⁺

Boron monofluoride cation

bf+

471

AlF

Aluminum monofluoride

alf

472

AlF^-

Aluminum monofluoride anion

alf-

473

AlF⁺

Aluminum monofluoride cation

alf+

474

BCl

boron monochloride

bcl

475

BCl^-

boron monochloride anion

bcl-

476

BCl⁺

boron monochloride cation

bcl+

477

AlCl

Aluminum monochloride

alcl

478

AlCl^-

aluminum monochloride anion

alcl-

479

AlCl⁺

aluminum monochloride cation

alcl+

480

BBr

Boron monobromide

bbr

481

GaF

Gallium monofluoride

gaf

482

AlBr

Aluminum monobromide

albr

483

GaCl

Gallium monochloride

gacl

484

AlI

Aluminum monoiodide

ali

485

GaBr

Gallium monobromide

gabr

486

CF^-

carbon monofluoride anion

cf-

487

CF⁺

carbon monofluoride cation

cf+

488

CCl

carbon monochloride

ccl

489

CCl^-

carbon monochloride anion

ccl-

490

CCl⁺

carbon monochloride cation

ccl+

491

SiF^-

silicon monofluoride anion

sif-

492

SiCl

Clorosilylidyne

sicl

493

SiCl^-

silicon monochloride anion

sicl-

494

SiCl⁺

silicon monochloride cation

sicl+

495

GeF

Germanium monofluoride

gef

496

GeF⁺

Germanium monofluoride cation

gef+

497

GeCl

Germanium monochloride

gecl

498

GeCl⁺

Germanium monochloride cation

gecl+

499

SiBr⁺

Silicon monobromide cation

sibr+

500

nitrogen fluoride

501

NF^-

nitrogen monofluorine anion

nf-

502

NF⁺

nitrogen monofluoirde cation

nf+

503

NCl^-

nitrogen monochloride anion

ncl-

504

NCl⁺

nitrogen monochloride cation

ncl+

505

phosphorus monofluoride

506

PF^-

phosphorus monofluoride anion

pf-

507

PF⁺

phosphorus monofluoride cation

pf+

508

PCl

phosphorus chloride

pcl

509

PCl^-

phosphorus monochloride anion

pcl-

510

PCl⁺

phosphorus monochloride cation

pcl+

511

NBr

nitrogen monobromide

nbr

512

PBr

Phosphorus monobromide

pbr

513

SbF

Antimony monofluoride

sbf

514

SbCl

Antimony monochloride

sbcl

515

FO^-

flourine oxide anion

fo-

516

FO⁺

fluorine monoxide cation

fo+

517

ClO

Monochlorine monoxide

clo

518

ClO^-

chlorine monoxide anion

clo-

519

ClO⁺

chlorine monoxide cation

clo+

520

SF^-

sulfur monofluoride anion

sf-

521

SF⁺

sulfur monofluoride cation

sf+

522

SCl

sulfur monochloride

scl

523

SCl^-

sulfur monochloride anion

scl-

524

SCl⁺

sulfur monochloride cation

scl+

525

BrO

Bromine monoxide

bro

526

BrO^-

Bromine monoxide anion

bro-

527

BrO⁺

Bromine monoxide cation

bro+

528

SBr

Sulfur monobromide radical

sbr

529

SBr⁺

Sulfur monobromide cation

sbr+

530

Iodine monoxide

531

SeBr

Selenium monobromide

sebr

532

BrCl

Bromine monochloride

brcl

533

ClF^-

clorine monofluoride anion

clf-

534

ClF⁺

clorine monofluoride cation

clf+

535

Cl₂^-

chlorine diatomic anion

cl2-

536

BrF

Bromine monofluoride

brf

537

BrF^-

bromine fluoride anion

brf-

538

BrF⁺

bromine fluoride cation

brf+

539

BrCl^-

bromine chloride anion

brcl-

540

BrCl⁺

bromine chloride cation

brcl+

541

Iodine monofluoride

542

Br₂

Bromine diatomic

br2

543

Br₂^-

bromine diatomic anion

br2-

544

Br₂⁺

bromine diatomic cation

br2+

545

ICl

Iodine monochloride

icl

546

IBr

Iodine monobromide

ibr

547

I₂

Iodine diatomic

548

I₂⁺

Iodine diatomic cation

i2+

549

HCCl

Chloromethylene

hccl

550

HSiF

fluorosilylene

hsif

551

HSiCl

Chlorosilylene

hsicl

552

HSiBr

monobromosilylene

hsibr

553

CHBr

bromomethylene

chbr

554

HOF

Hypofluorous acid

hfo

555

DOCl

Hypochlorous acid-d

docl

556

HOCl

hypochlorous acid

hocl

557

HOBr

Hypobromous acid

hobr

558

HOBr⁺

Hypobromous acid cation

hobr+

559

HOI

Hypoiodous acid

hoi

560

F₂H⁺

Fluorine, protonated

f2h+

561

FHF

Hydrogen difluoride

fhf

562

FHF^-

Hydrogen difluoride anion

fhf-

563

Cl₂H⁺

Chlorine, protonated

cl2h+

564

CH₂Br

bromomethyl radical

ch2br

565

CH₂F⁺

fluoromethyl cation

ch2f+

566

CH₂Cl⁺

chloromethyl cation

ch2cl+

567

CH₂Cl

chloromethyl radical

ch2cl

568

NH₂F

monofluoroamine

nh2f

569

NH₂Cl

chloramine

nh2cl

570

H₂F₂

Hydrogen fluoride dimer

h2f2

571

CH₃F⁺

methyl fluoride cation

ch3f+

572

CD₃F

methylfluoride-d3

cd3f

573

CD₃Cl

methyl chloride d3

cd3cl

574

CH₃Cl⁺

Methyl chloride cation

ch3cl+

575

SiH₃F

monofluorosilane

sih3f

576

SiH₃Cl

chlorosilane

sih3cl

577

CH₃Br

methyl bromide

ch3br

578

GeH₃F

monofluorogermane

geh3f

579

GeH₃Cl

monochlorogermane

geh3cl

580

SiH₃Br

bromosilane

sih3br

581

CH₃I

methyl iodide

ch3i

582

SiH₃I

Silyl Iodide

sih3i

583

NH₃Cl⁺

protonated monochloroammonia

nh3cl+

584

CH₃ClH⁺

methyl chloride, protonated

ch3clh+

585

Ne₂

Neon diatomic

ne2

586

Li₃

Lithium trimer

li3

587

C₃⁺

carbon trimer cation

c3+

588

SiC₂

Silicon dicarbide

sic2

589

C₃H₃

Propargyl radical

propargyl

590

C₃H₃^-

Propargyl anion

c3h3-

591

C₃H₃⁺

cyclopropenyl cation

cpr+

592

C₃H₃⁺

Propargyl cation

c3h3+

593

C₃H₄

cyclopropene

cprop

594

CH₂CCH₂

allene

595

CH₃CCH

propyne

596

C₃H₅⁺

Allyl cation

allyl+

597

CH₃CHCH

1-propenyl radical

ch3chch

598

Zn(CH₃)₂

dimethyl zinc

dmz

599

C₃H₇⁺

cyclopropane, protonated

c3h7+

600

CH₃CHCH₃

Isopropyl radical

isopropyl

601

CH₃CHCH₃⁺

Isopropyl cation

prop2yl+

602

C₃H₈

Propane

propane

603

SiH₂(CH₃)₂

dimethylsilane

dms

604

Si₃H₈

trisilane

si3h8

605

KCN

Potassium cyanide

kcn

606

CuCN

Copper cyanide

cucn

607

ZnCN

Zinc monocyanide

zncn

608

ZnNC

Zinc isocyanide

znnc

609

AlCN

Aluminum monocyanide

alcn

610

AlNC

Aluminum isocyanide

alnc

611

CN₂

3H-Diazirin-3-ylidene

cn2

612

CNN

Diazocarbene

cnn

613

NCN

Cyanoimidogen

ncn

614

N₃^-

azide anion

n3-

615

HCNN

diazomethyl radical

hcnn

616

HN₃

hydrogen azide

hn3

617

HN₃⁺

Hydrazoic acid cation

hn3+

618

HNCNH

diiminomethane

hncnh

619

CH₂N₂

diazirine

ch2n2

620

CH₂NN

diazomethane

ch2nn

621

HNNNH⁺

1,2-Triazadienium

n2h3+

622

NH₂NN⁺

hydrazoic acid, protonated

nh2nn+

623

CH₃CN

Acetonitrile

ch3cn

624

CH₃CN^-

acetonitrile anion

ch3cn-

625

CH₃CN⁺

Acetonitrile cation

ch3cn+

626

CH₃NC

methyl isocyanide

ch3nc

627

CHNCH₂

2H-Azirine

c157164

628

CHNHCH

1H-Azirine

chnhch

629

H₂CCNH

Ethenimine

ch2cnh

630

H₂CNCH

methyleneaminomethylene

ch2nch

631

HCCNH₂

Ethynamine

hccnh2

632

HCNCH₂⁺

2H-Azirine cation

hcnch2+

633

HNCNH₂⁺

diiminomethane, protonated

hncnh2+

634

NCNH₃⁺

Cyanamide, protonated

ncnh3+

635

NH₂CNH⁺

cyanamide, cn protonated

nh2cnh+

636

NH₃CN⁺

cyanamide, amine protonated

nh3cn+

637

CH₃CHN

methylmethaniminyl radical

ch3chn

638

NHCHNH₂

aminomethanimine

cn2h4

639

C₂H₅N

Aziridine

c2h5n

640

CH₂CHNH₂

aminoethene

641

CH₂NCH₃

N-methylmethanimine

nmm

642

CH₃CHNH

ethanimine

643

NH₂BHNH₂

diaminoborane

nh2bhnh2

644

C₂H₅NH⁺

Protonated Aziridine

c2h5nh+

645

C₂H₆N⁺

aziridine, protonated

c2h6n+

646

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

647

CH₃CH₂NH₂

Ethylamine

etam

648

CH₃NHCH₃

Dimethylamine

ch3nhch3

649

CH₃PHCH₃

dimethylphosphine

ch3phch3

650

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

651

(CH₃)₂NH₂⁺

dimethylammonium cation

dmam

652

CH₃CH₂NH₃⁺

ethylamine, protonated

pea

653

Li₂O⁺

dilithium oxide cation

li2o+

654

Na₂S

Sodium sulfide

na2s

655

LiO₂

Lithium dioxide

lio2

656

NaO₂

Sodium superoxide

nao2

657

CNO^-

fulminate

cno-

658

NCO^-

cyanate

nco-

659

SCN

thiocyanato radical

scn

660

SCN^-

thiocyanide anion

scn-

661

BO₂

Boron dioxide

bo2

662

BO₂^-

Boron dioxide anion

bo2-

663

BO₂⁺

Boron dioxide cation

bo2+

664

N₂O⁺

Nitrous oxide cation

n2o+

665

NNS

Nitrogen sulfide

nns

666

PPO

Phosphorus oxide phosphide

ppo

667

CO₂^-

Carbon dioxide anion

co2-

668

CO₂⁺

Carbon dioxide cation

co2+

669

OCS⁺

Carbonyl sulfide cation

cos+

670

SiO₂

silicon dioxide

sio2

671

CS₂

Carbon disulfide

cs2

672

CS₂^-

Carbon disulfide anion

cs2-

673

CS₂⁺

Carbon disulfide cation

cs2+

674

GeO₂

Germanium dioxide

geo2

675

OCSe

Carbonyl selenide

ocse

676

SCSe

Carbon sulfide selenide

scse

677

GeS₂

Germanium disulfide

ges2

678

SCTe

Carbon sulfide Telluride

scte

679

NO₂^-

Nitrogen dioxide anion

no2-

680

NSO

sulfinyl amidogen

NSO

681

PO₂

Phosphorus dioxide

po2

682

PO₂^-

Phosphorus dioxide anion

po2-

683

PO₂⁺

Phosphorus dioxide cation

po2+

684

SNO

Nitrogen oxide sulfide

sno

685

AsO₂

Aresenic dioxide

aso2

686

O₃^-

Ozone anion

o3-

687

O₃⁺

Ozone cation

o3+

688

SO₂^-

Sulfur dioxide anion

so2-

689

SO₂⁺

Sulfur dioxide cation

so2+

690

SSO

Disulfur monoxide

sso

691

S₃^-

Sulfur trimer anion

s3-

692

SeO₂

Selenium dioxide

seo2

693

SeO₂⁺

Selenium dioxide cation

seo2+

694

TeO₂

Tellurium Dioxide

teo2

695

HCCO

ketenyl radical

ketenyl

696

CS₂H⁺

Carbon disulfide, protonated

cs2h+

697

HNCO

Isocyanic acid

hnco

698

HOCN

cyanic acid

hocn

699

HNCS

Isothiocyanic acid

hncs

700

HSCN

thiocyanic acid

hscn

701

HCO₂^-

formate anion

hco2-

702

HNNO

nitrosoazane

hnno

703

HCOO

formate neutral radical

hcoo

704

HOCO

Hydrocarboxyl radical

hoco

705

HOCO⁺

Hydrocarboxyl cation

hoco+

706

HNO₂

Nitrous acid

hno2

707

HNO₂⁺

nitrous acid cation

hno2+

708

SO₂H⁺

protonated sulfur dioxide

so2h+

709

C₂H₂O

Oxirene

oxirene

710

CH₂CO

Ketene

ch2co

711

CH₂CO⁺

Ketene cation

ch2co+

712

HCCOH

ethynol

hccoh

713

CH₂CS

Thioketene

ch2cs

714

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

715

NH₂NO

Nitrosamide

nh2no

716

CH₂O₂

Dioxirane

diox

717

H₂O₃

Hydrogen trioxide

h2o3

718

HSSSH

trisulfane

hsssh

719

NaOCH₃

Sodium methoxide

naoch3

720

CH₂CHO

Vinyloxy radical

ch2cho

721

CH₂COH⁺

ketene, protonated

ch2coh+

722

CH₃CO

Acetyl radical

ch3co

723

CH₃CO^-

Acetyl anion

ch3co-

724

CH₃CO⁺

acetyl cation

ch3co+

725

CH₂NOH

formaldoxime

ch2noh

726

CHONH₂

formamide

727

CNOH₃

1,2-oxaziridine

cnoh3

728

HOCHNH

hydroxymethylimine

hochnh

729

CHSNH₂

thioformamide

chsnh2

730

NHCHSH

Methanimidothioic acid

nhchsh

731

CH₂OOH

CH2OOH radical

ch2ooh

732

CH₃OO

methylperoxy radical

ch3oo

733

CH₃OO^-

methylperoxy anion

ch3oo-

734

CH₃OO⁺

methylperoxy cation

ch3oo+

735

C₂H₄O

Ethylene oxide

c2h4o

736

C₂H₄O⁺

ethylene oxide cation

c2h4o+

737

CH₂CHOH

ethenol

ch2choh

738

CH₃CHO

Acetaldehyde

ch3cho

739

CH₃CHO⁺

acetaldehyde cation

ch3cho+

740

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

h2coch2+

741

C₂H₄S

Thiirane

thiirane

742

CH₂CHSH

Ethenethiol

ch2chsh

743

CH₃CHS

Thioacetaldehyde

ch3chs

744

H₂CONH₂⁺

protonated formamide

h2conh2+

745

NH₂CHOH⁺

Formamide, O-protonated

nh2choh+

746

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

747

CH₂(OH)₂

methanediol

ch2o2h2

748

CH₃OOH

Methyl peroxide

ch3ooh

749

CH₃SSH

Hydrogen methyl disulfide

ch3ssh

750

HSCH₂SH

Methanedithiol

ch4s2

751

H₂OH₂CO

water formaldehyde dimer

h2oh2co

752

C₂H₄OH⁺

ethylene oxide, protonated

c2h4oh+

753

CH₂CH₂OH

2-hydroxy ethyl radical

ch2ch2oh

754

CH₃CH₂O

Ethoxy radical

ethoxy

755

CH₃CHOH

1-hydroxy-ethyl radical

ch3choh

756

CH₃CHOH⁺

acetaldehyde, protonated

ch3choh+

757

CH₃OCH₂

methoxymethyl radical

ch3och2

758

NH₂CH₂OH

aminomethanol

nh2ch2oh

759

CH₃CH₂OH

Ethanol

etoh

760

CH₃OCH₃

Dimethyl ether

meome

761

CH₃CH₂SH

ethanethiol

etsh

762

CH₃SCH₃

Dimethyl sulfide

mesme

763

CH₃SCH₃⁺

dimethyl sulfide cation

mesme+

764

CH₃SeCH₃

dimethylselenide

dmse

765

CH₃OHH₂O

methanol water dimer

ch3ohh2o

766

H₂OCH₃OH

water methanol dimer

h2och3oh

767

ZnF₂

Zinc difluoride

znf2

768

FCN

Cyanogen fluoride

fcn

769

ClCN

chlorocyanogen

clcn

770

BrCN

Cyanogen bromide

brcn

771

ICN

Cyanogen iodide

icn

772

FBO

Boron monofluoride monoxide

fbo

773

BeF₂

Beryllium fluoride

bef2

774

MgF₂

Magnesium fluoride

mgf2

775

BeCl₂

Beryllium chloride

becl2

776

MgCl₂

Magnesium dichloride

mgcl2

777

CaCl₂

Calcium Chloride

cacl2

778

ZnCl₂

Zinc dichloride

zncl2

779

BeBr₂

Beryllium bromide

bebr2

780

CaBr₂

Calcium dibromide

cabr2

781

CaF₂

Calcium difluoride

caf2

782

FNO

Nitrosyl fluoride

fno

783

ClNO

Nitrosyl chloride

clno

784

FNS

Thionitrosyl fluoride

fns

785

OPCl

Phosphorus oxychloride

opcl

786

BrNO

Nitrosyl bromide

brno

787

INO

Nitrosyl iodide

ino

788

CF₂^-

Difluoromethylene anion

cf2-

789

CF₂⁺

Difluoromethylene cation

cf2+

790

SiF₂

Silicon difluoride

sif2

791

SiF₂⁺

Silicon difluoride cation

sif2+

792

CCl₂

dichloromethylene

ccl2

793

CCl₂^-

dichloromethylene anion

ccl2-

794

CCl₂⁺

dichloromethylene cation

ccl2+

795

SiCl₂

Dichlorosilylene

sicl2

796

GeF₂

Germanium difluoride

gef2

797

GeCl₂

Germanium dichloride

gecl2

798

CBr₂

dibromomethylene

cbr2

799

FOO

Dioxygen monofluoride radical

foo

800

FOO⁺

Fluorine dioxide cation

foo+

801

ClOO

chloroperoxy radical

cloo

802

ClOO⁺

chloroperoxy cation

cloo+

803

OClO

Chlorine dioxide

oclo

804

OClO⁺

Chlorine dioxide cation

oclo+

805

ClSO

Sulfur chloride oxide

clso

806

ClS₂

Sulfur chloride

cls2

807

BrOO

Bromine dioxide

broo

808

OBrO

Bromine dioxide radical

obro

809

NF₂

Difluoroamino radical

nf2

810

NF₂⁺

Difluoroamino cation

nf2+

811

PF₂

Phosphorus difluoride

pf2

812

PF₂⁺

Phosphorus difluoride cation

pf2+

813

FClO

chlorosyl fluoride

fclo

814

F₂O

Difluorine monoxide

f2o

815

ClOF

Chlorine hypofluorite

clof

816

SF₂

sulfur difluoride

sf2

817

SF₂^-

sulfur difluoride anion

sf2-

818

SF₂⁺

sulfur difluoride cation

sf2+

819

Cl₂O

Dichlorine monoxide

cl2o

820

SCl₂

Sulfur dichloride

scl2

821

SeF₂

Selenium difluoride

sef2

822

BrOCl

Bromine hypochlorite

brocl

823

SeCl₂

Selenium Dichloride

secl2

824

SBr₂

Sulfur dibromide

sbr2

825

SeBr₂

Selenium dibromide

sebr2

826

BrOBr

Bromine oxide

brobr

827

F₃^-

trifluoride anion

f3-

828

Cl₃^-

trichloride anion

cl3-

829

Br₃^-

tribromide anion

br3-

830

I₃^-

triiodide

i3-

831

SFCl

Sulfur chloride fluoride

sfcl

832

HCCF

Fluoroacetylene

hccf

833

HCCF⁺

fluoroacetylene cation

hccf+

834

HCCCl

Chloroacetylene

hcccl

835

HCCBr

bromoacetylene

hccbr

836

HFCO

formyl fluoride

hfco

837

COHCl

Formyl chloride

cohcl

838

COHBr

Formyl bromide

cohbr

839

BHF₂

Difluoroborane

bhf2

840

BHCl₂

Borane, dichloro-

bhcl2

841

CHCl₂

dichloromethyl radical

chcl2

842

CHF₂

difluoromethyl radical

chf2

843

CHF₂⁺

difluoromethyl cation

chf2+

844

CHFCl

Chlorofluoromethyl radical

chfcl

845

CHFCl⁺

Chlorofluoromethyl cation

chfcl+

846

CHCl₂⁺

dichloromethyl cation

chcl2+

847

CHBr₂

dibromomethyl radical

chbr2

848

HOClO

Chlorous acid

hoclo

849

NHF₂

difluoramine

nhf2

850

NHCl₂

dichloroamine

nhcl2

851

CH₂F₂

Methane, difluoro-

ch2f2

852

CH₂FCl

fluorochloromethane

ch2fcl

853

SiH₂F₂

difluorosilane

sih2f2

854

CH₂Cl₂

Methylene chloride

ch2cl2

855

CH₂BrF

Methane, bromofluoro-

ch2fbr

856

CH₂BrCl

Methane, bromochloro-

ch2clbr

857

CH₂FI

fluoroiodomethane

ch2fi

858

CH₂Br₂

dibromomethane

ch2br2

859

CH₂ClI

chloroiodomethane

ch2cli

860

CH₂BrI

bromoiodomethane

ch2bri

861

CH₂I₂

Diiodomethane

ch2i2

862

SiH₂Cl₂

dichlorosilane

sih2cl2

863

CH₃MgBr

Methyl Magnesium Bromide

ch3mgbr

864

CH₂CHF

Ethene, fluoro-

ch2chf

865

CH₂CHF⁺

fluoroethene cation

ch2chf+

866

C₂H₃Cl

Ethene, chloro-

ch2chcl

867

C₂H₃Br

vinyl bromide

c2h3br

868

C₂H₃I

Vinyl iodide

c2h3i

869

CH₂FOH

fluoromethanol

ch2foh

870

CH₃OCl

methyl hypochlorite

ch3ocl

871

CH₂CH₂Cl

2-chloroethyl radical

ch2ch2cl

872

CHClCH₃

1-chloroethyl radical

chclch3

873

C₂H₅F

fluoroethane

c2h5f

874

CH₃CH₂Cl

Ethyl chloride

c2h5cl

875

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

876

C₂H₅Br

Ethyl bromide

etbr

877

C₂H₅I

Ethyl iodide

c2h5i

878

KrF₂

Krypton difluoride

krf2

879

XeF₂

Xenon difluoride

xef2

880

B₄H₁₀

Tetraborane(10)

b4h10

881

C₄

Carbon tetramer

882

C₄⁺

Carbon tetramer cation

c4+

883

C₄H₂⁺

diacetlyene cation

c4h2+

884

C₂H₃CCH

1-Buten-3-yne

c2h3cch

885

C₄H₄

cyclobutadiene

cbd

886

H₂CCCCH₂

Butatriene

h2cccch2

887

C₄H₆

1-Methylcyclopropene

c3100047

888

C₄H₆

Cyclobutene

c822355

889

C₄H₆

Methylenecyclopropane

c6142730

890

CH₂CCHCH₃

1,2-Butadiene

butad12

891

CH₂CHCHCH₂

1,3-Butadiene

c106990

892

CH₃CCCH₃

2-Butyne

c503173

893

CHCCH₂CH₃

1-Butyne

c107006

894

CH₃CHCHCH₂

methylallyl radical

c4h7

895

C₄H₈

methylcyclopropane

mcp

896

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

897

CH₂CHCH₂CH₃

1-Butene

bute1

898

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

899

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

900

B(CH₃)₃

trimethylborane

bme3

901

Al(CH₃)₃

trimethyl aluminum

tma

902

C(CH₃)₃

Tert-butyl radical

tbutyl

903

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

904

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

905

CH₃CH(CH₃)CH₃

Isobutane

isobutane

906

SiH(CH₃)₃

trimethylsilane

trimsi

907

C₂N₂⁺

Cyanogen cation

c2n2+

908

P₄

Phosphorus tetramer

909

As₄

Arsenic tetramer

as4

910

HCCCN

Cyanoacetylene

hcccn

911

HCCCN⁺

Cyanoacetylene cation

hcccn+

912

H₂CNCN

cyanamide, methylene

ch2ncn

913

HNCCNH

Ethenediimine

hnccnh

914

C₃H₃N

acrylonitrile

ch2chcn

915

C₃H₃N⁺

acrylonitrile cation

ch2chcn+

916

CH₃N₃

methyl azide

ch3n3

917

NH₂CCNH₂

Diaminoacetylene

daa

918

NH₂CH₂CN

Aminoacetonitrile

aan

919

CH₃NHN₂⁺

methyl azide, protonated

ch3nhn2+

920

C₂H₅CN

ethyl cyanide

c2h5cn

921

CH₅N₃

Guanidine

guanidine

922

C₄H₆

Bicyclo[1.1.0]butane

c157335

923

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

924

H₂NCHCHNH₂

diaminoethylene

dae

925

CH₆N₃⁺

guanidinium

ch6n3+

926

C₃H₇N

Cyclopropylamine

cpram

927

CH₇N₃

triaminomethane

tam

928

C₃H₇N

Azetidine

azet

929

C₄H₈

cyclobutane

cbutane

930

C₂H₈N₂

Ethylenediamine

ethdiam

931

CH₃NHNHCH₃

dimethyl hydrazine

dmh

932

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

933

N(CH₃)₃

Trimethylamine

trimeam

934

NH₂CH₂CH₂CH₃

1-Propanamine

pram1

935

N(SiH₃)₃

trisilylamine

tsa

936

As(CH₃)₃

trimethyl arsine

tmas

937

(CH₃)₃NH⁺

protonated trimethyl amine

ptma

938

C₃H₇NH₃⁺

n-propylamine, protonated

c3h7nh2

939

Li₂O₂

dilithium dioxide

li2o2

940

Na₂O₂

disodium dioxide

na2o2

941

K₂O₂

dipotassium dioxide

k2o2

942

B₂O₂

Diboron dioxide

b2o2

943

S₂N₂

Disulfur dinitride

s2n2

944

CO₃

Carbon trioxide

co3

945

CO₃^--

carbonate

co3--

946

CS₃^--

Carbonotrithioate

cs3--

947

NO₃

Nitrogen trioxide

no3

948

NO₃^-

nitrate anion

no3-

949

NO₃⁺

nitrogen trioxide cation

no3+

950

SO₃

Sulfur trioxide

so3

951

SO₃^-

Sulfur trioxide anion

so3-

952

SO₃^--

Sulfate dianion

so3--

953

SO₃⁺

Sulfur trioxide cation

so3+

954

SeO₃

selenium trioxide

seo3

955

S₄

Sulfur tetramer

956

TeO₃

Tellurium trioxide

teo3

957

HCO₃^-

bicarbonate anion

hco3-

958

HNO₃

Nitric acid

hno3

959

HSO₃

Hydroxysulfonyl radical

hso3

960

NH₂NO₂

nitramide

nh2no2

961

C₂H₂CO

cyclopropenone

c2h2co

962

C₃H₂O

Propadienal

c3h2o

963

HCCCHO

2-propynal

hcccho

964

C₂H₂O₂

Ethanedial

c2h2o2

965

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

966

H₂CO₃

Carbonic acid

h2co3

967

H₂CS₃

thiocarbonic acid

h2cs3

968

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

969

H₂SO₃

Sulfurous acid

h2so3

970

C₂H₃NO

Nitrosoethylene

c2h3no

971

CH₃NCO

methylisocyante

ch3nco

972

HOCH₂CN

cyanomethanol

hoch2cn

973

CH₃COO^-

acetate anion

ch3coo-

974

CH₃NO₂

Methane, nitro-

ch3no2

975

CH₃ONO

Methyl nitrite

ch3ono

976

H₃BO₃

Boric acid

h3bo3

977

H₃AlO₃

Aluminum hydroxide

h3alo3

978

H₃CO₃⁺

carbonic acid, protonated

h3co3+

979

C₃H₄O

2-Propyn-1-ol

c107197

980

C₃H₄O

allenol

c9000071

981

C₃H₄O

Cyclopropanone

cpone

982

C₃H₄O

Methylketene

c6004440

983

CH₂CHCHO

Acrolein

c3h4o

984

NH₂CONH₂⁺

Urea cation

urea+

985

NH₂CSNH₂

Thiourea

thiourea

986

C₂H₄O₂

1,3-dioxetane

c2h4o2

987

CH₃COOH

Acetic acid

ch3cooh

988

CH₃OCHO

methyl formate

ch3ocho

989

CHOCH₂OH

hydroxy acetaldehyde

haa

990

NH₂COOH₂⁺

Carbamic acid, O-protonated

nh2cooh2+

991

NH₃COOH⁺

protonated Carbamic acid

nh3cooh+

992

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

993

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

994

HCOOHH₂O

Formic acid water dimer

hcoohh2o

995

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

996

CH₃COCH₂

Acetonyl radical

ch3coch2

997

CH₂C(OH)NH₂

1-amino vinyl alchohol

ava

998

CH₃C(OH)=NH

Ethaninidic acid

eia

999

CH₃CHNOH

Acetaldoxime

acetaldoxime

1000

CH₃CONH₂

Acetamide

acetamide

1001

HCONHCH₃

N-methylformamide

nmfa

1002

CH₃CSNH₂

Ethanethioamide

ch3csnh2

1003

CH₅N₂O⁺

urea, N-protonated

ch4n2o+

1004

H₂NCOHNH₂⁺

urea, protonated

ureah+

1005

C₂H₅OO

ethylperoxy radical

c2h5oo

1006

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

1007

C₃H₅OH

Cyclopropanol

cproh

1008

C₃H₆O

2-Propen-1-ol

c107186

1009

C₃H₆O

Acetone enol

enol

1010

C₃H₆O

Propylene oxide

prox

1011

CH₃CH₂CHO

Propanal

propanal

1012

CH₃COCH₃

Acetone

acetone

1013

CH₃COCH₃^-

acetone anion

ch3coch3-

1014

C₃H₆S

Thietane

thietane

1015

C₃H₆S

Thiirane, methyl-

methiirane

1016

CH₃CSCH₃

Thioacetone

ch3csch3

1017

C₂H₆O₂

1,2-Ethanediol

ethdiol

1018

CH₃OOCH₃

dimethylperoxide

dmp

1019

CH₃SOCH₃

Dimethyl sulfoxide

dmso

1020

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

1021

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

1022

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

1023

HOCH₂CH₂NH₂

monoethanolamine

mea

1024

C₃H₇OH

1-Propanol

proh

1025

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

1026

CH₃OC₂H₅

Ethane, methoxy-

etome

1027

C₃H₇SH

1-Propanethiol

prsh

1028

CH₃CHSHCH₃

2-Propanethiol

isoprsh

1029

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

1030

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

1031

Li₂F₂

Lithium fluoride dimer

li2f2

1032

Na₂F₂

Sodium Fluoride Dimer

na2f2

1033

Na₂Cl₂

Disodium dichloride

na2cl2

1034

C₂F₂

difluoroacetylene

c2f2

1035

C₂Cl₂

dichloroacetylene

c2cl2

1036

C₂Cl₂⁺

dichloroacetylene cation

c2cl2+

1037

FNO₂

Nitryl fluoride

fno2

1038

FONO

Nitrosyl hypofluorite

fono

1039

ClNO₂

Nitryl chloride

clno2

1040

ClONO

chlorine nitrite

clono

1041

BrONO

Bromine nitrite

brono

1042

N₂F₂

(Z)-Difluorodiazene

n2f2_z

1043

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

1044

CF₂O

Carbonic difluoride

f2co

1045

CF₂O⁺

Carbonic difluoride cation

f2co+

1046

COFCl

Carbonic chloride fluoride

cofcl

1047

CCl₂O

Phosgene

cl2co

1048

Cl₂CS

Thiophosgene

cl2cs

1049

COBr₂

Carbonic dibromide

cobr2

1050

BF₃^-

Borane, trifluoro- anion

bf3-

1051

BF₃⁺

boron trifluoride cation

bf3+

1052

BClF₂

Chlorodifluoroborane

bclf2

1053

AlF₂Cl

Aluminum chloride difluoride

alclf2

1054

ScF₃

Scandium trifluoride

ScF3

1055

AlFCl₂

Aluminum dichloride fluoride

alcl2f

1056

BCl₃

Borane, trichloro-

bcl3

1057

BCl₃⁺

Boron Trichloride cation

bcl3+

1058

GaF₃

Gallium trifluoride

gaf3

1059

AlCl₃

Aluminum trichloride

alcl3

1060

GaCl₃

Gallium trichloride

gacl3

1061

BBr₃

Boron tribromide

bbr3

1062

AlBr₃

Aluminum Bromide

albr3

1063

ClO₃

Chlorine trioxide

clo3

1064

ClO₃^-

chlorate anion

clo3-

1065

BrO₃^-

Bromate anion

bro3-

1066

CF₃

Trifluoromethyl radical

cf3

1067

CF₃^-

Trifluoromethyl anion

cf3-

1068

CF₃⁺

Trifluoromethyl cation

cf3+

1069

CF₂Cl

difluorochloromethyl radical

cf2cl

1070

SiF₃

Silicon trifluoride radical

sif3

1071

SiF₃⁺

Silicon trifluoride cation

sif3+

1072

CFCl₂

dichlorofluoromethyl radical

cfcl2

1073

CCl₃

Trichloromethyl radical

ccl3

1074

CCl₃^-

Trichloromethyl anion

ccl3-

1075

CCl₃⁺

Trichloromethyl cation

ccl3+

1076

SiCl₃

trichlorosilyl radical

sicl3

1077

SiCl₃⁺

trichlorosilyl cation

sicl3+

1078

CBr₃

tribromomethyl radical

cbr3

1079

FOOF

Perfluoroperoxide

foof

1080

ClO₂F

Chloryl fluoride

clo2f

1081

F₂SO

Thionyl Fluoride

f2so

1082

ClOOCl

Dichlorine dioxide

cloocl

1083

FSSF

Difluorodisulfane

fssf

1084

S₂F₂

Thio-thionyl fluoride

s2f2

1085

SOCl₂

thionyl chloride

socl2

1086

SSCl₂

Thiothionyl chloride

sscl2

1087

SeOCl₂

selenium oxychloride

seocl2

1088

NF₃

Nitrogen trifluoride

nf3

1089

NF₃^-

Nitrogen trifluoride anion

nf3-

1090

NF₃⁺

Nitrogen trifluoride cation

nf3+

1091

PF₃

Phosphorus trifluoride

pf3

1092

NCl₃

nitrogen trichloride

ncl3

1093

AsF₃

Arsenic trifluoride

asf3

1094

PCl₃

Phosphorus trichloride

pcl3

1095

SbF₃

Antimony Trifluoride

sbf3

1096

AsCl₃

Arsenous trichloride

ascl3

1097

SbCl₃

Antimony Trichloride

sbcl3

1098

NBr₃

Nitrogen Tribromide

nbr3

1099

PBr₃

Phosphorus tribromide

pbr3

1100

AsBr₃

Arsenic tribromide

asbr3

1101

NI₃

Nitrogen triiodide

ni3

1102

PI₃

Phosphorus triiodide

pi3

1103

ClSSCl

Disulfur dichloride

s2cl2

1104

SF₃

Sulfur trifluoride

sf3

1105

ClF₃

Chlorine trifluoride

clf3

1106

BrF₃

Bromine trifluoride

brf3

1107

IF₃

iodone trifluoride

if3

1108

HClO₃

Chloric Acid

hclo3

1109

CHF₃

Methane, trifluoro-

chf3

1110

CHF₂Cl

difluorochloromethane

chf2cl

1111

SiHF₃

trifluorosilane

sihf3

1112

CHFCl₂

fluorodichloromethane

chfcl2

1113

CDCl₃

trichloromethane-d

cdcl3

1114

CHCl₃

Chloroform

chcl3

1115

CHBrF₂

Methane, bromodifluoro-

chbrf2

1116

SiHCl₃

Trichlorosilane

sihcl3

1117

CHFClBr

fluorochlorobromomethane

chfclbr

1118

CHBrCl₂

Methane, bromodichloro-

chbrcl2

1119

CHF₂I

difluoroiodomethane

chf2i

1120

CHBr₂F

dibromofluoromethane

chbr2f

1121

CHFClI

fluorochloroiodomethane

chfcli

1122

CHCl₂I

dichloroiodomethane

chcl2i

1123

CHClBr₂

Methane, dibromochloro-

chclbr2

1124

CHBr₃

bromoform

chbr3

1125

CHI₃

Iodoform

chi3

1126

NF₃H⁺

protonated nitrogen trifluoride

nf3h+

1127

AsF₃H⁺

Arsenic trifluoride, protonated

asf3h+

1128

C₂H₂F₂

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

c2h2f2e

1129

C₂H₂F₂

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

c2h2f2z

1130

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

1131

C₂H₂ClF

1-chloro-1-fluoroethylene

c2h2clf

1132

CHFCHCl

(E)-1-chloro-2-fluoroethene

chfchcle

1133

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

chfchclz

1134

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

1135

CHClCHCl

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

chclchcle

1136

CHClCHCl

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

chclchclz

1137

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

1138

CHBrCHBr

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

chbrchbre

1139

CHBrCHBr

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

chbrchbrz

1140

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

1141

CH₃COF

Acetyl fluoride

ch3cof

1142

CH₂ClCHO

chloroacetaldehyde

ch2clcho

1143

CH₃COCl

Acetyl Chloride

ch3cocl

1144

C₂H₄F₂

1,2-difluoroethane

c2h4f2

1145

CH₃CHF₂

Ethane, 1,1-difluoro-

ch3chf2

1146

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

ch2fch2cl

1147

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

1148

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

1149

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

1150

CH₂BrCH₂Cl

1-bromo-2-chloroethane

ch2brch2cl

1151

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

ch2brch2br

1152

CH₂CFCH₃

2-fluoropropene

2fpro

1153

CH₂CHCH₂F

Allyl Fluoride

allylf

1154

CH₃CHCHF

trans-1-Fluoro-1-propene

propene1ft

1155

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

1156

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

1157

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

1158

CH₂FCH₂OH

2-fluoroethanol

ch2fch2oh

1159

CH₂ClCH₂OH

2-Chloroethanol

ch2clch2oh

1160

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

ch2clch2oh2+

1161

CH₂FCH₂CH₃

1-Fluoropropane

prf1

1162

CH₃CHFCH₃

2-Fluoropropane

prf2

1163

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

1164

CH₃CHClCH₃

Propane, 2-chloro-

prcl2

1165

CH₃CH₂CH₂Br

n-propyl bromide

prbr

1166

CH₃CHBrCH₃

i-propyl bromide

iprbr

1167

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

1168

B₅H₉

pentaborane9

b5h9

1169

C₅H₄

pentatetraene

ptrene

1170

C₅H₅

cyclopentadienyl radical

c5h5

1171

C₅H₅^-

cylopentadienyl anion

c5h5-

1172

C₅H₆

1,3-Cyclopentadiene

c542927

1173

C₅H₆

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

c78808

1174

C₅H₆

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

c2004695

1175

C₅H₆

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

c1574409

1176

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

1177

C₅H₆

Cyclopropylacetylene

c6746947

1178

C₅H₆

Propellane

propellane

1179

C₅H₇

1,3-pentadienyl radical

pdyl

1180

C₅H₇

cyclopentenyl radical

cpyl

1181

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

1182

C₅H₈

1,2-Pentadiene

c591957

1183

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

1184

C₅H₈

1,3-Pentadiene, (E)-

c2004708

1185

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

1186

C₅H₈

1,4-Pentadiene

c591935

1187

C₅H₈

1-pentyne

a1pentyne

1188

C₅H₈

2,3-Pentadiene

c591968

1189

C₅H₈

Bicyclo[1.1.1]pentane

bcp

1190

C₅H₈

Cyclobutane, methylene-

c1120565

1191

C₅H₈

Cyclopentene

c142290

1192

C₅H₈

Ethenylcyclopropane

c693867

1193

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

1194

C₅H₁₀

1-Butene, 2-methyl-

c563462

1195

C₅H₁₀

2-Butene, 2-methyl-

c513359

1196

C₅H₁₀

2-Pentene, (E)-

c646048

1197

C₅H₁₀

2-Pentene, (Z)-

c627203

1198

C₅H₁₀

Cyclopentane

c287923

1199

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

1200

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

1201

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

1202

C₅H₁₂

Butane, 2-methyl-

buta2

1203

C₅H₁₂

Pentane

pentane

1204

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

1205

Si(CH₃)₄

tetramethylsilane

tms

1206

N₂O₃

Dinitrogen trioxide

n2o3

1207

C₃H₂N₂

Malononitrile

c3h2n2

1208

CH₂N₄

1H-Tetrazole

1htz

1209

C₃H₃N₂

imidazolyl radical

1210

C₃H₃N₂^-

imidizolyl anion

im-

1211

C₂H₃N₃

1H-1,2,4-Triazole

c288880

1212

C₄H₄N

pyrrolide radical

c4h4n

1213

C₄H₄N^-

pyrrolide anion

c4h4n-

1214

C₃H₄N₂

1H-Imidazole

1himidaz

1215

C₃H₄N₂

1H-Pyrazole

1hpyraz

1216

C₃H₄N₂

2H-Imidazole

imid2h

1217

C₃H₄N₂

4H-Imidazole

imid4h

1218

C₄H₅N

(E)-2-Butenenitrile

c627269

1219

C₄H₅N

(Z)-2-Butenenitrile

c1190767

1220

C₄H₅N

2H-pyrrole

pyrrole2

1221

C₄H₅N

3H-pyrrole

pyrrole3

1222

C₄H₅N

Cyclopropanecarbonitrile

c5500210

1223

C₄H₅N

Pyrrole

pyrrole

1224

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

1225

C₄H₆N⁺

pyrrole, alpha-protonated

appyr

1226

C₄H₆N⁺

pyrrole, beta-protonated

bppyr

1227

C₄H₆N⁺

pyrrole, protonated

ppyr

1228

C₃H₆N₂

3-Aminopropionitrile

c151188

1229

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

1230

CH₃CH₂CH₂CN

Butanenitrile

c109740

1231

C₅H₈

Bicyclo[2.1.0]pentane

c185944

1232

C₅H₈

Spiropentane

c157404

1233

C₄H₉N

Cyclobutylamine

cbam

1234

C₄H₉N

Pyrrolidine

pyrrolidine

1235

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

1236

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

1237

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1238

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1239

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1240

NH(C₂H₅)₂

diethylamine

dea

1241

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1242

C₃O₂

Carbon suboxide

c3o2

1243

C₃O₂⁺

Carbon suboxide cation

c3o2+

1244

B₂O₃

diboron trioxide

b2o3

1245

MgCO₃

Magnesium Carbonate

mgco3

1246

BeCO₃

Beryllium Carbonate

beco3

1247

CaCO₃

Calcium Carbonate

caco3

1248

ONONO

Nitrosyl nitrite

onono

1249

PO₄^---

phosphate

po4---

1250

SO₄^--

sulfate

so4--

1251

HOONO₂

peroxy nitric acid

hoono2

1252

HSO₄^-

bisulfate anion

hso4-

1253

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1254

C₃H₂O₂

Propiolic acid

c3h2o2

1255

CHOCOOH

oxo acetic acid

oaa

1256

CHOOCHO

diformyl ether

choocho

1257

H₂SO₄

Sulfuric acid

h2so4

1258

H₂SeO₄

Selenic acid

h2seo4

1259

C₃H₃NO

Isoxazole

isox

1260

C₃H₃NO

Oxazole

oxazole

1261

C₃H₃NS

Thiazole

thiazole

1262

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1263

CH₃NO₃

Methyl nitrate

ch3no3

1264

H₃PO₄

Phosphoric Acid

h3po4

1265

C₄H₄O

Furan

furan

1266

C₄H₄O⁺

Furan cation

furan+

1267

CH₃COCCH

3-butyn-2-one

c1423605

1268

C₄H₄S

Thiophene

furans

1269

C₄H₄Se

selenophene

c4h4se

1270

C₃H₄O₂

β–Propiolactone

beta

1271

C₃H₄O₂

2-Propenoic acid

propenoic2

1272

C₃H₄O₂

Methyl glyoxal

megly

1273

C₃H₄O₂

propanedial

1274

C₃H₄O₂

propenalol

1275

HOCHCCHOH

allenediol

aldiol

1276

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1277

C₂H₄O₃

trioxolane124

triox

1278

HOCH₂COOH

Hydroxyacetic acid

hac

1279

CH₂CHCONH₂

Acrylamide

c79061

1280

CH₃OCH₂CN

Methoxyacetonitrile

c1738369

1281

CH₅N₃S

Hydrazinecarbothioamide

c79196

1282

H₂NCH₂COOH

Glycine

glycine

1283

CH₃SO₂NH₂

methanesulfonamide

ch3so2nh2

1284

C₄H₆O

cis-2-butenal

butenal2c

1285

C₄H₆O

Cyclobutanone

cbutone

1286

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1287

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1288

CH₂CHOCHCH₂

Vinyl ether

vinylether

1289

CHOCHCHCH₃

2-Butenal

butenal2

1290

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1291

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1292

CH₂CHSCHCH₂

Divinyl sulfide

divis

1293

C₂H₆N₂O

Urea, methyl-

c598505

1294

C₃H₆O₂

1,3-Dioxolane

dioxolane

1295

CH₃CH₂COOH

Propanoic Acid

propanoic

1296

CH₃COOCH₃

methyl acetate

aame

1297

HCOOC₂H₅

Ethyl formate

faee

1298

C₂H₆O₂S

Dimethyl sulfone

c67710

1299

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1300

C₃H₇NO

dimethylformamide

dmf

1301

C₃H₇NO

Propanamide

propanam

1302

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1303

C₄H₈O

Cyclobutanol

c2919235

1304

C₄H₈O

Furan, tetrahydro-

thf

1305

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1306

CH₃COCH₂CH₃

2-Butanone

buta2one

1307

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1308

CHOCH₂CH₂CH₃

Butanal

butanal

1309

C₄H₈S

Thiophene, tetrahydro-

tht

1310

C₃H₈O₂

1,3-Propanediol

c504632

1311

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1312

C₃H₈O₂

Methane, dimethoxy-

c109875

1313

C₃H₈O₂

Propylene glycol

c57556

1314

C₃H₈S₂

1,3-Propanedithiol

c109808

1315

C₄H₁₀O

1-Butanol

butanol1

1316

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1317

C₄H₁₀O

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

butanol2

1318

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1319

C₄H₁₀O

Ethoxy ethane

etoet

1320

C₄H₁₀O

Methyl propyl ether

meopr

1321

C₄H₁₀O

Propane, 2-methoxy-

c598538

1322

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1323

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

tbush

1324

C₂H₅SC₂H₅

Diethyl sulfide

etset

1325

C₄H₉SH

1-Butanethiol

bush

1326

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1327

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1328

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1329

FNO₃

Fluorine nitrate

fno3

1330

ClONO₂

Chlorine nitrate

clono2

1331

BrONO₂

Bromine nitrate

brono2

1332

TiCl₄

Titanium tetrachloride

ticl4

1333

ClO₄^-

perchlorate anion

clo4-

1334

BF₄^-

tetrafluoroboron anion

bf4-

1335

ClFO₃

Perchloryl fluoride

clfo3

1336

SO₂F₂

Sulfuryl fluoride

so2f2

1337

SO₂Cl₂

Sulfuryl chloride

so2cl2

1338

F₃NO

Nitrogen trifluoride oxide

f3no

1339

F₃PO

Phosphoryl fluoride

pf3o

1340

Cl₃PO

Phosphoryl chloride

pcl3o

1341

CF₄

Carbon tetrafluoride

cf4

1342

CF₃Cl

Methane, chlorotrifluoro-

cf3cl

1343

SiF₄

Silicon tetrafluoride

sif4

1344

CF₂Cl₂

difluorodichloromethane

cf2cl2

1345

CFCl₃

Trichloromonofluoromethane

cfcl3

1346

CF₃Br

Bromotrifluoromethane

cf3br

1347

GeF₄

Germanium tetrafluoride

gef4

1348

CCl₄

Carbon tetrachloride

ccl4

1349

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1350

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

1351

SiCl₄

Silane, tetrachloro-

sicl4

1352

CBrCl₂F

bromodichlorofluoromethane

cbrcl2f

1353

CF₃I

trifluoroiodomethane

cf3i

1354

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1355

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1356

GeCl₄

Germanium Tetrachloride

gecl4

1357

CBr₂ClF

dibromochlorofluoromethane

cbr2clf

1358

CBr₂Cl₂

dibromodichloromethane

cbr2cl2

1359

CCl₃I

trichloroiodomethane

ccl3i

1360

CFBr₃

fluorotribromomethane

cfbr3

1361

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1362

CBr₃Cl

tribromochloromethane

cbr3cl

1363

CF₂I₂

difluorodiiodomethane

cf2i2

1364

CBr₄

Carbon tetrabromide

cbr4

1365

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1366

SiBr₄

Silicon tetrabromide

sibr4

1367

CBr₃I

tribromoiododmethane

cbr3i

1368

GeBr₄

Germanium tetrabromide

gebr4

1369

CI₄

tetraiodomethane

ci4

1370

SiI₄

silicon tetraiodide

sii4

1371

ClOF₃

Chlorine trifluoride oxide

clof3

1372

SF₄

Sulfur tetrafluoride

sf4

1373

SeF₄

Selenium tetrafluoride

sef4

1374

SCl₄

Sulfur tetrachloride

scl4

1375

C₂HF₃

Trifluoroethylene

c2hf3

1376

C₂HF₃⁺

Trifluoroethylene cation

c2hf3+

1377

CHClCCl₂

Trichloroethylene

chclccl2

1378

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1379

HClO₄

perchloric acid

hclo4

1380

HSO₃F

Fluorosulfonic acid

hso3f

1381

CF₃OH

trifluoromethanol

cf3oh

1382

CH₂ClCCCl

1,3-dichloropropyne

ch2clcccl

1383

CHClCCHCl

1,3-dichloroallene

chclcchcl

1384

CHCl₂CCH

3,3-dichloropropyne

chcl2cch

1385

CHCl₂CHO

dichloroacetaldehyde

chcl2cho

1386

PF₃CH₂

phosphorane, trifluoromethylene-

pf3ch2

1387

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1388

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

ch2fchf2

1389

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

1390

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1391

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1392

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1393

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1394

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1395

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1396

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1397

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

c4h5cl

1398

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1399

CH₂FCH₂CH₂F

1,3-difluoropropane

ch2fch2ch2f

1400

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1401

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1402

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1403

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

prdicl22

1404

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1405

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1406

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1407

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1408

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1409

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

bute2cl1

1410

CH₃CClCHCH₃

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

bute2cl2e

1411

CH₃CClCHCH₃

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

bute2cl2z

1412

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1413

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1414

C₄H₉F

1-fluorobutane

butaf1

1415

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1416

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1417

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1418

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1419

XeF₄

Xenon tetrafluoride

xef4

1420

C₂H₂N₂O

Furazan

furazan

1421

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1422

NH₃BF₃

Amminetrifluoroboron

nh3bf3

1423

C₆H₂

hexatriyne

c6h2

1424

C₆H₄

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

c6h4e

1425

C₆H₄

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

c6h4z

1426

C₆H₄

Benzyne

benzyne

1427

C₆H₅

phenyl

1428

C₆H₅^-

phenyl anion

phenyl-

1429

C₆H₆

Prismane

prismane

1430

C₆H₆

1,2,4,5-Hexatetraene

ht1245

1431

C₆H₆

2,4-Hexadiyne

hexadiyne

1432

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1433

C₆H₆

Benzene

benzene

1434

C₆H₆

Benzvalene

1435

C₆H₆

Dewar Benzene

dewar

1436

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

1437

C₆H₆

Trimethylenecycopropane

tmcp

1438

C₆H₆⁺

Benzene cation

c6h6+

1439

C₆H₇⁺

benzene, protonated

c6h7+

1440

C₆H₈

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

c821078

1441

C₆H₈

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

c59660650

1442

C₆H₈

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

hexatri135

1443

C₆H₈

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

hetr234c

1444

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1445

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1446

C₆H₈

3-Methylenecyclopentene

c930267

1447

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1448

C₆H₈

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

c30830207

1449

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1450

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1451

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1452

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1453

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1454

C₆H₁₀

1,5-Hexadiene

c592427

1455

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1456

C₆H₁₀

1-Hexyne

hexyne1

1457

C₆H₁₀

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

hexdi24ee

1458

C₆H₁₀

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

hexdi24ez

1459

C₆H₁₀

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

hexdi24zz

1460

C₆H₁₀

2-Hexyne

c764352

1461

C₆H₁₀

3-Hexyne

hexyne3

1462

C₆H₁₀

cyclohexene

1463

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1464

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1465

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1466

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1467

C₆H₁₂

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

dmcb12t

1468

C₆H₁₂

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

dmcb13t

1469

C₆H₁₂

(E)-2-Hexene

e2hexene

1470

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1471

C₆H₁₂

(E)-hex-3-ene

e3hexene

1472

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1473

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1474

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1475

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1476

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1477

C₆H₁₂

3-methylenepentane

c760214

1478

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1479

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1480

C₆H₁₂

Cyclohexane

cyclohexane

1481

C₆H₁₂

Cyclopentane, methyl-

c96377

1482

C₆H₁₂

Ethylcyclobutane

c4806615

1483

C₆H₁₂

hex-1-ene

hexene1

1484

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1485

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1486

C₆H₁₄

Hexane

hexane

1487

C₆H₁₄

Pentane, 2-methyl-

penta2

1488

C₆H₁₄

Pentane, 3-methyl-

penta3

1489

C₄N₂

2-Butynedinitrile

c4n2

1490

N₃P₃

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

n3p3

1491

C₄H₂N₂

Fumaronitrile

c4h2n2

1492

C₂H₂N₄

sym-tetrazine

ttz

1493

C₃H₃N₃

1,3,5-Triazine

triazine135

1494

CH₃N₅

5-Aminotetrazole

c4418615

1495

C₄H₄N₂

1,3-Diazine

diazine13

1496

C₄H₄N₂

Pyrazine

pyrazine

1497

C₄H₄N₂

Pyridazine

pyridazine

1498

C₄H₄N₂

Succinonitrile

c110612

1499

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1500

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1501

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1502

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1503

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1504

C₅H₅N

Pyridine

pyridine

1505

B₃N₃H₆

borazine

1506

C₆H₆

Fulvene

fulvene

1507

C₅H₆N⁺

Pyridinium

c5h6n

1508

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1509

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1510

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1511

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1512

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1513

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1514

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1515

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1516

C₅H₉N

Pentanenitrile

c110598

1517

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1518

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1519

C₅H₁₁N

Cyclopentanamine

cypentam

1520

C₅H₁₁N

Piperidine

piper

1521

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1522

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1523

Li₂CO₃

Lithium Carbonate

li2co3

1524

Na₂CO₃

Sodium Carbonate

na2co3

1525

C₂O₄^--

oxalate anion

c2o4

1526

MgSO₄

Magnesium Sulfate

mgso4

1527

N₂O₄

Dinitrogen tetroxide

n2o4

1528

C₃H₂O₃

vinylene carbonate

vica

1529

C₂H₂O₄

Oxalic Acid

oxalic

1530

C₂H₃NO₃

Oxamic acid

oxamic

1531

C₄H₄O₂

2(5H)-Furanone

furanone

1532

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1533

C₂H₄N₂O₂

Oxalamide

oxalamide

1534

C₂H₄N₂S₂

Ethanedithioamide

c79403

1535

C₂H₄CO₃

Ethylene carbonate

etco3

1536

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1537

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1538

C₂H₄O₄

Formic acid dimer

fadimer

1539

C₄H₅NO

3-Methylisoxazole

isox3m

1540

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1541

C₄H₅NS

4-Methylthiazole

c693958

1542

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1543

C₅H₆O

2H-Pyran

pyran2

1544

C₅H₆O

2-methylfuran

furan2m

1545

C₅H₆O

3-Methylfuran

furan3m

1546

C₅H₆O

Pentadienal

pdal

1547

C₅H₆S

Thiophene, 2-methyl-

c554143

1548

C₅H₆S

Thiophene, 3-methyl-

c616444

1549

C₄H₆O₂

γ–Butyrolactone

c96480

1550

C₄H₆O₂

2,3-Butanedione

c431038

1551

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1552

C₄H₆O₂

Crotonic Acid

crot

1553

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1554

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1555

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1556

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1557

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1558

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1559

C₄H₆OS

Vinyl sulfoxide

c1115157

1560

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1561

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1562

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1563

C₃H₆O₃

1,3,5-Trioxane

trioxane

1564

C₃H₆S₃

1,3,5-Trithiane

c3h6s3

1565

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1566

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1567

C₄H₇NO

2-Pyrrolidinone

c616455

1568

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1569

C₄H₇NO

Methacrylamide

c79390

1570

C₄H₇NO

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

c1120645

1571

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1572

C₃H₇ONO

Propyl nitrite

prono

1573

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1574

CH₃CH(NH₂)COOH

Alanine

alanine

1575

CH₃NHCH₂COOH

Sarcosine

sarcosine

1576

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1577

NH₂COOC₂H₅

Urethane

urethane

1578

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1579

C₅H₈O

Cyclopentanone

c120923

1580

C₅H₈O

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

c1487156

1581

C₅H₈O

Methyl cyclopropyl ketone

c765435

1582

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1583

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

1584

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1585

C₄H₈O₂

1,3-Dioxane

dioxan13

1586

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1587

C₄H₈O₂

1,4-Dioxane

dioxan14

1588

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1589

C₄H₈O₂

Ethyl acetate

c141786

1590

C₄H₈OS

s-Ethyl thioacetate

c625605

1591

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1592

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1593

C₄H₉NO

Butanamide

c541355

1594

C₄H₉NO

Propanamide, 2-methyl-

c563837

1595

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1596

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1597

C₅H₁₀O

2-methylbutyraldehyde

2meba

1598

C₅H₁₀O

2-Pentanone

mpk

1599

C₅H₁₀O

3-Pentanone

dek

1600

C₅H₁₀O

Cyclopentanol

c96413

1601

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1602

C₅H₁₀O

Pentanal

pal

1603

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1604

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1605

C₅H₁₀S

Cyclopentanethiol

c1679078

1606

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1607

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1608

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1609

C₄H₁₀O₂

1,3-Butanediol

budiol13

1610

C₄H₁₀O₂

1,4-Butanediol

budiol14

1611

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1612

C₄H₁₀OS

Diethyl sulfoxide

c70291

1613

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1614

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1615

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1616

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1617

C₅H₁₂O

1-Pentanol

pentanol1

1618

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1619

C₅H₁₂O

2-Pentanol

peol2

1620

C₅H₁₂O

3-Pentanol

pentan3ol

1621

C₅H₁₂O

Butane, 1-methoxy-

meobu

1622

C₅H₁₂O

Propane, 1-ethoxy-

proet

1623

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1624

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1625

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1626

C₅H₁₂S

1-Pentanethiol

c110667

1627

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1628

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1629

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1630

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1631

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1632

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1633

C₅H₁₂S

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

c6163640

1634

C₄F₂

difluorobutadiyne

c4f2

1635

ClCOClCO

Oxalyl chloride

oxcl

1636

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1637

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1638

B₂F₄

Diboron tetrafluoride

b2f4

1639

B₂Cl₄

Diboron tetrachloride

b2cl4

1640

C₂F₄

Tetrafluoroethylene

c2f4

1641

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1642

C₂ClF₃

Ethene, chlorotrifluoro-

c2f3cl

1643

CF₂CCl₂

difluorodichloroethylene

cf2ccl2

1644

CFClCClF

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

cfclcclf

1645

CFClCFCl

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

cfclcfcl

1646

C₂FCl₃

fluorotrichloroethene

c2fcl3

1647

C₂Cl₄

Tetrachloroethylene

c2cl4

1648

C₂Br₄

tetrabromoethene

c2br4

1649

CF₃OF

Trifluoromethylhypofluorite

cf3of

1650

SiF₅^-

silicon pentafluoride anion

sif5-

1651

SOF₄

Sulfur tetrafluoride oxide

sof4

1652

PF₅

Phosphorus pentafluoride

pf5

1653

AsF₅

Arsenic pentafluoride

asf5

1654

PCl₅

Phosphorus pentachloride

pcl5

1655

SF₅

Sulfur pentafluoride

sf5

1656

SF₅⁺

pentafluoro sulfur cation

sf5+

1657

SbCl₅

Antimony pentachloride

sbcl5

1658

BrF₅

bromine pentafluoride

brf5

1659

ClF₅

chlorinepentafluoride

clf5

1660

IF₅

pentafluoroiodine

if5

1661

CF₃CHO

trifluoroacetaldehyde

cf3cho

1662

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1663

CHFClCHClF

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

chfclchclf

1664

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1665

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1666

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1667

CHFClCHFCl

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

chfclchfcl

1668

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

ch2clccl3

1669

CHCl₂CHCl₂

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

chcl2chcl2

1670

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

c2h2br4

1671

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

1672

CF₃COOH

trifluoroacetic acid

cf3cooh

1673

C₄H₃ClO

Furan, 2-chloro

fur2cl

1674

C₄H₃ClO

Furan,3-chloro

fur3cl

1675

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1676

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1677

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1678

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1679

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1680

C₄H₈Cl₂

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

c2211678

1681

C₄H₈Cl₂

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

c4028562

1682

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1683

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1684

C₄H₈O₂

Butanoic acid

bua

1685

C₆H₅CH₂

benzyl radical

benzyl

1686

C₇H₇

cycloheptatrienyl radical

c7h7

1687

C₇H₇⁺

cycloheptatrienyl cation

c7h7+

1688

C₆H₅CH₃

toluene

1689

C₇H₈

cycloheptatriene

cht

1690

C₇H₈

Norbornadiene

norbor

1691

C₇H₈

Quadricyclane

qucy

1692

C₇H₁₂

Norbornane

nor

1693

C₇H₁₄

cycloheptane

c7h14

1694

C₇H₁₆

2-methylhexane

2mhex

1695

C₇H₁₆

3-methylhexane

hex3m

1696

C₇H₁₆

heptane

1697

CH(CN)₃

tricyanomethane

mecn3

1698

HN=C=C(CN)₂

Dicyanoketenimine

c4hn3

1699

C₆H₇N

2-Methylpyridine

1700

C₆H₅NH₂

aniline

1701

C₆H₁₃N

2-Methylpiperidine

pip2m

1702

C₆H₁₃N

cyclohexanamine

cham

1703

C₆H₁₅N

triethylamine

tea

1704

N₂O₅

Dinitrogen pentoxide

n2o5

1705

C₄H₂O₃

Maleic Anhydride

malan

1706

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1707

C₅H₄O₂

furfural

1708

C₆H₅O

phenoxy radical

phenoxy

1709

C₅H₅NO

2(1H)-Pyridinone

c72762006

1710

C₅H₅NO

2(3H)-Pyridinone

c9000048

1711

C₅H₅NO

2(5H)-Pyridinone

c9000037

1712

C₅H₅NO

2-Pyridinol

c109104

1713

C₅H₅NO

3(2H)-Pyridinone

c9000004

1714

C₅H₅NO

3(4H)-Pyridinone

c9000026

1715

C₅H₅NO

3(6H)-Pyridinone

c9000015

1716

C₅H₅NO

3-Pyridinol

c109002

1717

C₅H₅NO

4(1H)-Pryidinone

c9000060

1718

C₅H₅NO

4(3H)-Pryidinone

c9000059

1719

C₅H₅NO

4-Pyridinol

c626642

1720

C₆H₅OH

phenol

1721

C₆H₆O

2,4-Cyclohexadienone

c24599573

1722

C₆H₆O

2,5-Cyclohexadienone

c5664335

1723

C₆H₅SH

Benzenethiol

phsh

1724

HO₂CCHNH₂CH₂OH

Serine

serine

1725

C₅H₈O₂

Acetylacetone

acac

1726

C₄H₈O₂S

Sulfolane

sulfolane

1727

C₇H₁₀

Norbornene

norbornene

1728

CH(C₂H₃)₃

trivinyl methane

tvm

1729

C₆H₁₀O

cyclohexanone

chexo

1730

C₆H₁₂O

hexanal

c6h12o

1731

C₆H₁₂O

Oxepane

oxepane

1732

C₃H₇OC₃H₇

di-n-propyl ether

propr

1733

F₂CCCF₂

tetrafluoroallene

pfa

1734

CF₃COO^-

trifluoro acetate anion

cf3coo-

1735

CF₃COF

trifluoroacetyl fluoride

cf3cof

1736

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1737

PF₆

Hexafluorophosphate neutral

pf6

1738

SF₆

Sulfur Hexafluoride

sf6

1739

SeF₆

Selenium hexafluoride

sef6

1740

SF₅Cl

sulfur chloropentafluoride

sf5cl

1741

CF₃CHF₂

pentafluoroethane

cf3chf2

1742

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1743

CF₃CHCl₂

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

cf3chcl2

1744

CHCl₂CClF₂

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

chcl2cclf2

1745

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1746

C₆H₅F

Fluorobenzene

bzf

1747

C₆H₅Cl

chlorobenzene

bzcl

1748

C₆H₅Br

bromobenzene

bzbr

1749

C₈H₆

Calicene

calicene

1750

C₆H₅CCH

phenylacetylene

phac

1751

C₈H₆

benzocyclobutadiene

bcbd

1752

C₈H₆

Pentalene

pentalene

1753

C₆H₅CHCH₂

Styrene

styrene

1754

C₈H₈

cubane

1755

C₈H₈

cyclooctatetraene

cot

1756

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1757

CH₃C₆H₄CH₃

meta-xylene

mxylene

1758

CH₃C₆H₄CH₃

paraxylene

pxylene

1759

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1760

C₈H₁₆

cyclooctane

cyclooct

1761

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1762

C₈H₁₈

Octane

c8h18

1763

C₆H₅CN

phenyl cyanide

phcn

1764

C₆H₁₂N₂

Triethylenediamine

ted

1765

C₄O₄^--

squarate dianion

c4o4--

1766

S₄N₄

Tetrasulfur tetranitride

s4n4

1767

S₈

Octasulfur

1768

C₆H₄O₂

parabenzoquinone

pbq

1769

C₄H₄N₂O₂

Uracil

uracil

1770

C₆H₅CHO

benzaldehyde

benzal

1771

C₆H₅OCH₃

Anisole

anisole

1772

C₅H₉NO₂

Proline

proline

1773

C₆H₁₂O₂

Methyl pivalate

c598981

1774

C₆H₁₂O₂

Hexanoic acid

hexa

1775

C₄F₄

tetrafluorcyclobutadiene

c4f4

1776

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1777

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1778

CF₂ClCF₂Cl

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

cf2clcf2cl

1779

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1780

CF₂ClCFCl₂

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

cf2clcfcl2

1781

CF₃CCl₃

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

cf3ccl3

1782

C₂F₆

hexafluoroethane

c2f6

1783

C₂Cl₆

hexachloroethane

c2cl6

1784

IF₇

Iodine heptafluoride

if7

1785

C₆H₄F₂

metadifluorobenzene

mdfb

1786

C₆H₄F₂

orthodifluorobenzene

odfb

1787

C₆H₄F₂

1,4-difluorobenzene

pdfb

1788

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1789

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1790

C₆H₄Cl₂

1,4-dichlorobenzene

dcb14

1791

C₆H₅NO

nitrosobenzene

bzno

1792

C₉H₈

Indene

indene

1793

C₉H₈

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

snt

1794

C₉H₁₂

n-propyl benzene

prbz

1795

C₉H₂₀

Nonane

nonane

1796

C(CN)₄

tetracyanomethane

c5n4

1797

C₅H₄N₄

purine

1798

C₈H₇N

Indole

indole

1799

C₃H₃N₃O₃

cyanuric acid

cyanuric

1800

C₆H₅NO₂

Nitrobenzene

c6h5no2

1801

C₆H₅COOH

benzoic acid

benzo

1802

CH₃COC₆H₅

acetophenone

acph

1803

C₃Cl₃N₃

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

c3cl3n3

1804

C₃F₆

hexafluoropropene

c3f6

1805

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1806

C₈H₁₈O

1-Octanol

octanol

1807

C₁₀H₈

Azulene

azu

1808

C₁₀H₈

naphthalene

naph

1809

C₁₀H₁₀

bullvalene

bullv

1810

C₁₀H₁₆

adamantane

1811

C₆N₄

Tetracyanoethylene

tcne

1812

C₆N₄^-

tetracyanoethylene anion

tcne-

1813

C₁₀H₂₂

Decane

decane

1814

C₄F₆

perfluorobutadiene

c4f6

1815

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1816

C₃F₈

perfluoropropane

c3f8

1817

Fe(CO)₅

Iron pentacarbonyl

ipc

1818

Fe(C₅H₅)₂

ferrocene

fecp2

1819

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1820

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1821

C₁₂H₈

Acenaphthylene

acenaph

1822

C₁₂H₈

biphenylene

biph

1823

C₁₂H₁₀

biphenyl

1824

C₁₂H₁₀

Heptalene

heptalene

1825

C₆H₁₂O₆

Inositol

inositol

1826

C₆F₆

hexafluorobenzene

c6f6

1827

S₂F₁₀

disulphur decafluoride

s2f10

1828

C₁₃H₁₀

Fluorene

fluorene

1829

C₁₄H₁₀

Anthracene

anth

1830

C₁₄H₁₀

Phenanthrene

phenanthrene

1831

C₁₄H₁₄

Bibenzyl

bibenzyl

1832

C₁₂H₁₀N₂

azobenzene

1833

C₆H₅COC₆H₅

benzophenone

1834

C₁₆H₁₀

Pyrene

pyrene

1835

C₁₈H₁₂

Tetracene

tetracene

1836

C₁₉H₁₆

Triphenylmethane

tpm

1837

C₂₄H₁₂

Coronene

coronene

1838

C₆₀

Buckminsterfullerene

c60

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