CCCBDB List of Species with completed calculations

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List of which calculations are completed at QCISD(TQ)=FULL /6-31G*

Jump to calculations not yet done

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	He	Helium atom	¹S	K_h
3	He	Helium atom
4	Li^-	Lithium atom anion	¹S	K_h
5	LiH	Lithium Hydride	¹Σ	C_∞v
6	KH	Potassium hydride	¹Σ	C_∞v
7	BeH	beryllium monohydride	²Σ	C_∞v
8	MgH	magnesium monohydride	²Σ	C_∞v
9	TiH	Titanium monohydride	⁴Φ	C_∞v
10	BeH₂⁺	Beryllium dihydride cation
11	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
12	Al	Aluminum atom	²P	K_h
13	Al^-	Aluminum atom anion	³P	K_h
14	Al⁺	Aluminum atom cation	¹S	K_h
15	Sc	Scandium atom	²D	K_h
16	Sc⁺	Scandium cation	³D	K_h
17	BH	Boron monohydride	¹Σ	C_∞v
18	BH	Boron monohydride	³Π	C_∞v
19	ScH	Scandium monohydride	¹Σ	C_∞v
20	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
21	BH₃⁺	boron trihydride cation	²B₂	C_2v
22	BH₃⁺	boron trihydride cation		C_2v
23	AlH₃	aluminum trihydride	¹A₁^'	D_3h
24	AlH₃^-	aluminum trihydride anion		C_3v
25	ScH₃	Scandium trihydride	¹A₁^'	D_3h
26	ScH₃	Scandium trihydride	¹A₁	C_3v
27	BH₄	borohydride	²B₂	C_2v
28	BH₄^-	borohydride anion	¹A₁	T_d
29	C	Carbon atom	³P₀	K_h
30	C^-	Carbon atom anion	²D	K_h
31	Si^-	Silicon atom anion	⁴S	K_h
32	SiH	Silylidyne	²Π	C_∞v
33	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
34	GeH	germylidene	²Π	C_∞v
35	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
36	CH₂	Methylene	³B₁	C_2v
37	CH₂	Methylene	³Σ_G	D_∞h
38	CH₂	Methylene	¹A₁	C_2v
39	CH₂^-	methylene anion	²B₁	C_2v
40	CH₂⁺	methylene cation	²A₁	C_2v
41	CH₂⁺	methylene cation	²Π	D_∞h
42	GeH₂	germylene	¹A₁	C_2v
43	CH₃	Methyl radical	²A₁	D_3h
44	CH₃^-	methyl anion	¹A₁	C_3v
45	CH₃⁺	methyl cation	¹A₁^'	D_3h
46	SiH₃	Silyl radical	²A₁	C_3v
47	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
48	CH₄	Methane	¹A₁	T_d
49	CH₄^-	Methane anion	²A₁	T_d
50	SiH₂D₂	silane-d2
51	SiH₄	Silane	¹A₁	T_d
52	SiH₅⁺	Silane, protonated
53	N	Nitrogen atom	⁴S	K_h
54	P	Phosphorus atom	⁴S	K_h
55	V	Vanadium atom	⁴F	K_h
56	V⁺	Vanadium atom cation	⁵D	K_h
57	As	Arsenic atomic	⁴S	K_h
58	As^-	Arsenic anion	³P	K_h
59	As⁺	Arsenic cation	³P	K_h
60	PH	phosphorus monohydride	³Σ^-	C_∞v
61	NH₂	Amino radical	²B₁	C_2v
62	NH₂⁺	Amino cation	³B₁	C_2v
63	NH₂⁺	Amino cation	¹A₁	C_2v
64	NH₃	Ammonia	¹A₁	C_3v
65	NH₃^-	Ammonia anion	²A₁	C_3v
66	NH₃⁺	ammonia cation	²A₂^"	D_3h
67	PH₃	Phosphine	¹A₁	C_3v
68	PH₃⁺	Phosphine cation	²A₁	C_3v
69	NH₄⁺	ammonium cation	¹A₁	T_d
70	PH₄	Phosphoranyl radical
71	PH₄⁺	phosphonium cation
72	S	Sulfur atom	³P	K_h
73	S^-	Sulfur atom anion	²P	K_h
74	S⁺	Sulfur atom cation	⁴S	K_h
75	OH	Hydroxyl radical	²Π	C_∞v
76	OH^-	hydroxide anion	¹Σ	C_∞v
77	OH⁺	hydoxyl cation	³Σ	C_∞v
78	HS	Mercapto radical	²Π	C_∞v
79	HS^-	mercapto anion	¹Σ	C_∞v
80	HS⁺	sulfur monohydride cation	³Σ	C_∞v
81	CrH	Chromium hydride	⁶Σ	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 anion	¹S	K_h
96	F⁺	Fluorine atom cation	³S	K_h
97	F⁺	Fluorine atom cation	¹D	K_h
98	Cl	Chlorine atom	²P	K_h
99	Cl^-	Chlorine atom anion	¹S	K_h
100	Cl⁺	Chlorine atom cation	³P	K_h
101	Cl⁺	Chlorine atom cation	¹D	K_h
102	HF	Hydrogen fluoride	¹Σ	C_∞v
103	HCl⁺	hydrogen chloride cation	²Π	C_∞v
104	HBr	hydrogen bromide	¹Σ	C_∞v
105	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
106	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
107	Ne	Neon atom	¹S	K_h
108	Ne	Neon atom
109	Kr	Krypton atom	¹S	K_h
110	Kr⁺	Krypton cation	²P	K_h
111	ArH⁺	Argon hydride cation	¹Σ	C_∞v
112	KrH⁺	Protonated Krypton	¹Σ	C_∞v
113	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
114	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
115	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
116	NaK⁺	Sodium Potassium diatomic cation		1
117	BeMg	Beryllium Magnesium	¹Σ	C_∞v
118	LiB	Lithium boride	³Π	C_∞v
119	NaAl	Sodium aluminum	¹Σ	C_∞v
120	BeB	Beryllium monoboride	²Π	C_∞v
121	B₂	Boron diatomic	¹Σ_g	D_∞h
122	B₂	Boron diatomic	⁵Σ_u	D_∞h
123	B₂⁺	Boron diatomic cation	²Π	D_∞h
124	BAl	Boron Aluminum	³Σ	C_∞v
125	BGa	Boron Gallium	³Σ	C_∞v
126	AlGa	Aluminum Gallium	³Σ	C_∞v
127	AlGa	Aluminum Gallium	¹Σ	C_∞v
128	Ga₂	Gallium diatomic	³P_iu
129	HBBH	Diborane(2)	³Σ_G	D_∞h
130	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
131	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
132	B₂H₆	Diborane	¹A_g	D_2h
133	B₂H₆⁺	Diborane cation
134	Ga₂H₆	digallane	¹A_G	D_2h
135	BeC	Beryllium Carbide	³Σ^-	C_∞v
136	BeC	Beryllium Carbide
137	CaC	Calcium monocarbide
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 cation	²Π_u	D_∞h
148	H₂CC^-	vinylidene anion
149	CH₃Li	methyl lithium	¹A₁	C_3v
150	CH₂BH	methyleneborane	¹A₁	C_2v
151	C₂H₃	vinyl	²A^'	C_s
152	C₂H₃^-	vinyl anion	¹A^'	C_s
153	C₂H₄^-	Ethylene anion	²A_g	C_2h
154	CH₃BH₂	methylborane	¹A^'	C_s
155	C₂H₅	Ethyl radical	²A^'	C_s
156	C₂H₆	Ethane	¹A_1g	D_3d
157	Si₂H₆	disilane	¹E_u	D_3d
158	LiP	Lithium monophosphide
159	LiP	Lithium monophosphide
160	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
161	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
162	MgN	Magnesium Nitride
163	BP	Boron monophosphide	³Π	C_∞v
164	BP	Boron monophosphide	¹Σ	C_∞v
165	AlP	Aluminum monophosphide	³Σ	C_∞v
166	AlP	Aluminum monophosphide	³Π	C_∞v
167	AlP	Aluminum monophosphide	¹Σ	C_∞v
168	GaP	Gallium monophosphide	³Σ	C_∞v
169	GaP	Gallium monophosphide	¹Σ	C_∞v
170	GaAs	Gallium arsenide	³Π
171	GaAs	Gallium arsenide	¹Σ
172	BN	boron nitride	³Π	C_∞v
173	BN	boron nitride	¹Σ	C_∞v
174	CN	Cyano radical	²Σ	C_∞v
175	CN^-	cyanide anion	¹Σ	C_∞v
176	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
177	HCN	Hydrogen cyanide	¹Σ	C_∞v
178	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
179	HNC⁺	hydrogen isocyanide cation
180	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
181	N₂H₂	(E)-diazene	¹A_g	C_2h
182	N₂H₂	(Z)-Diazene	¹A₁	C_2v
183	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
184	CH₂NH⁺	Methanimine cation
185	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
186	N₂H₄⁺	hydrazine cation	²A_G	C_2h
187	CH₃NH₂	methyl amine	¹A^'	C_s
188	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
189	BH₃NH₃	borane ammonia	¹A₁	C_3v
190	N₂H₇⁺	ammonia ammonium dimer
191	LiO	lithium oxide	²Σ	C_∞v
192	LiS	Lithium monosulfide	²Π	C_∞v
193	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
194	NaO	sodium monoxide	²Σ	C_∞v
195	KO	Potassium monoxide	²Σ	C_∞v
196	KO⁺	Potassium monoxide cation	³Σ	C_∞v
197	NaS	Sodium sulfide	²Π	C_∞v
198	CaS	Calcium sulfide	¹Σ	C_∞v
199	BO	boron monoxide	²Σ	C_∞v
200	ScO	Scandium monoxide	²Σ	C_∞v
201	CO	Carbon monoxide	¹Σ	C_∞v
202	CO^-	carbon monoxide anion	²Π	C_∞v
203	CO⁺	carbon monoxide cation	²Σ	C_∞v
204	TiO	Titanium monoxide	³Δ	C_∞v
205	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
206	GeS	Germanium monosulfide	¹Σ	C_∞v
207	SiSe	Silicon Monoselenide
208	SiSe⁺	Silicon Monoselenide cation
209	NO	Nitric oxide	²Π	C_∞v
210	NO^-	nitric oxide anion	³Σ	C_∞v
211	NO⁺	nitric oxide cation	¹Σ	C_∞v
212	NS	Mononitrogen monosulfide	²Π	C_∞v
213	PO	Phosphorus monoxide	²Π	C_∞v
214	PS	phosphorus sulfide	²Σ	C_∞v
215	VO	Vanadium monoxide	⁴Σ^-
216	NSe	Nitrogen monoselenide	²Π	C_∞v
217	AsS	Arsenic monosulfide	²Π	C_∞v
218	PSe	Phosphorus monoselenide	²Π	C_∞v
219	O₂	Oxygen diatomic	³Σ_g	D_∞h
220	O₂^-	oxygen diatomic anion	²Π	D_∞h
221	SO⁺	sulfur monoxide cation	²Π	C_∞v
222	S₂	Sulfur diatomic	³Σ_g	D_∞h
223	LiOH	lithium hydroxide	¹Σ	C_∞v
224	BeOH	beryllium monohydroxide	²Σ	C_∞v
225	HBO	Boron hydride oxide	¹Σ	C_∞v
226	COH	Hydroxymethylidyne
227	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
228	HCO^-	formyl anion	¹A^'	C_s
229	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
230	NOH	Hydroxyimidogen	³A^"	C_s
231	NOH⁺	O-protonated nitric oxide	²A^'	C_s
232	HO₂	Hydroperoxy radical	²A^"	C_s
233	HO₂⁺	Hydroperoxy cation	³A^"	C_s
234	HSO⁺	Sulfur Monoxide, S-protonated
235	SOH⁺	Sulfur Monoxide, protonated
236	H₂CO^-	formaldehyde anion	²A^'	C_s
237	H₂CO⁺	formaldehyde cation	²B₂	C_2v
238	H₂CS	Thioformaldehyde	¹A₁	C_2v
239	H₂NO	nitroxide	²B₁	C_2v
240	H₂NO	nitroxide	²A^'	C_s
241	H₂O₂	Hydrogen peroxide	¹A	C₂
242	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
243	H₂S₂	Disulfane	¹A	C₂
244	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
245	CH₂OH	Hydroxymethyl radical	²A	C₁
246	CH₃O⁺	Methoxy cation	³A₁	C_3v
247	NH₂OH	hydroxylamine	¹A^'	C_s
248	NH₂OH⁺	Hydroxylamine cation
249	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
250	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
251	CH₃SH	Methanethiol	¹A^'	C_s
252	CH₃SH⁺	Methanethiol cation	²A^"	C_s
253	H₂OH₂O	water dimer	¹A^'	C_s
254	LiCl	lithium chloride	¹Σ	C_∞v
255	NaF	sodium fluoride	¹Σ	C_∞v
256	NaCl	Sodium Chloride	¹Σ	C_∞v
257	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
258	ZnF	Zinc monofluoride	²Σ	C_∞v
259	ScF	Scandium monofluoride	¹Σ	C_∞v
260	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
261	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
262	CF	Fluoromethylidyne	²Π	C_∞v
263	SiF	silicon monofluoride	²Π	C_∞v
264	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
265	NCl	nitrogen monochloride	³Σ	C_∞v
266	AsF	Arsenic monofluoride	³Σ	C_∞v
267	AsCl	Arsenic monochloride	³Σ	C_∞v
268	FO	Oxygen monofluoride	²Π	C_∞v
269	SF	Monosulfur monofluoride	²Π	C_∞v
270	SeF	Selenium monofluoride	²Π	C_∞v
271	SeCl	Selenium monochloride	²Π	C_∞v
272	F₂	Fluorine diatomic	¹Σ_g	D_∞h
273	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
274	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
275	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
276	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
277	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
278	HCF	Fluoromethylene	¹A^'	C_s
279	HCF	Fluoromethylene	³A^"	C_s
280	HOCl⁺	hypochlorous acid cation
281	ClFH⁺	Chlorine fluoride, F-protonated
282	FClH⁺	Chlorine fluoride, Cl-protonated
283	CH₂F	fluoromethyl radical	²A	C_s
284	CH₃F	Methyl fluoride	¹A₁	C_3v
285	CH₃Cl	Methyl chloride	¹A₁	C_3v
286	LiNe⁺	Lithium Neon cation
287	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
288	Ar₂	Argon diatomic	¹S_g	D_∞h
289	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
290	Li₃	Lithium trimer	²B₂	C_2v
291	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
292	C₃	carbon trimer	¹Σ_g	D_∞h
293	C₃	carbon trimer	¹A₁	C_2v
294	C₃H₃	cyclopropenyl radical	²A^'	C_s
295	C₃H₅	Allyl radical	²A^"	C_s
296	LiCN	lithium cyanide	¹Σ	C*V LiCN
297	LiCN	lithium cyanide	¹A^'	C_s
298	LiCN	lithium cyanide	¹Σ	C*V LiNC
299	NaCN	Sodium Cyanide	¹Σ	C_∞v
300	NaCN	Sodium Cyanide	¹A	C_s
301	KCN	Potassium cyanide	¹Σ	C_∞v
302	KCN	Potassium cyanide	¹Σ	C_∞v
303	KCN	Potassium cyanide	¹A^'	C_s
304	N₃	azide radical	²Π_g	D_∞h
305	N₃⁺	azide cation	³Σ_g	D_∞h
306	N₃⁺	azide cation	³Σ	C_∞v
307	HCCN	cyanomethylene	³A^"	C_s
308	NH₂CN	cyanamide	¹A₁	C_2v
309	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
310	CH₂CHNH	vinylazine	²A^"	CS cis
311	Li₂O	dilithium oxide	¹Σ_g	D_∞h
312	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
313	Li₂S	dilithium sulfide	¹A₁	C_2v
314	CCO	Dicarbon monoxide	³Σ	C_∞v
315	CCO	Dicarbon monoxide	¹Π	C_∞v
316	NCO	isocyanato radical	²Π	C_∞v
317	N₂O	Nitrous oxide	¹Σ	C_∞v
318	N₂O^-	Nitrous oxide anion	²A^'	C_s
319	OCS	Carbonyl sulfide	¹Σ	C_∞v
320	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
321	NO₂	Nitrogen dioxide	²A₁	C_2v
322	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
323	O₃	Ozone	¹A₁	C_s
324	S₃	Sulfur trimer	¹A₁	C_2v
325	S₃⁺	Sulfur trimer cation	²B₂	C_2v
326	HCNO	fulminic acid	¹Σ	C_∞v
327	HCNO	fulminic acid	¹A^'	C_s
328	HNCS	Isothiocyanic acid
329	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
330	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
331	O₃H⁺	protonated ozone	¹A^'	C_s
332	Be(OH)₂	Beryllium hydroxide
333	Be(OH)₂	Beryllium hydroxide
334	H₂COO	Dioxymethyl radical	²A^'	C_s
335	H₂COO⁺	dioxymethyl cation	²A^'	C_s
336	HCOOH	Formic acid	¹A^'	C_s
337	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
338	BH₃CO	Borane carbonyl	¹A₁	C_3v
339	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
340	CH₃NO	nitrosomethane	¹A^'	C_s
341	CuF₂	Copper difluoride	²Π_g	D_∞h
342	CNF	iso cyanogen fluoride	¹Σ	C_∞v
343	FCO	Carbonyl fluoride	²A^'	C_s
344	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
345	ClCO	carbonyl monochloride	²A^'	C_s
346	FSN	Thiazyl fluoride	¹A^'	C_s
347	CF₂	Difluoromethylene	¹A₁	D_∞h
348	CFCl	chlorofluoromethylene	¹A^'	C_s
349	OClO^-	Chlorine dioxide anion	¹A^'	C_s
350	HFCO⁺	formyl fluoride cation	²A^'	C_s
351	C₄H₂	Diacetylene	¹Σ_g	D_∞h
352	Li₃N	trilithium nitride	¹A^'	D_3h
353	C₂N₂	Cyanogen	¹Σ_g	D_∞h
354	C₄H₈	cyclobutane	¹A₁	D_2d
355	P(CH₃)₃	trimethylphosphine	¹A₁	C_3v
356	C₃O	Tricarbon monoxide	¹Σ	C_∞v
357	ONNO	NO dimer	¹A_g	trans C2H
358	NH₂COOH	Carbamic acid	¹A^'	C_s
359	NH₂COOH	Carbamic acid	¹A	C₁
360	NH₂CONH₂	Urea	¹A₁	C_2v
361	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
362	C₃H₆O	Oxetane	¹A₁	C_2v
363	C₃H₆O	Oxetane	¹A^'	C_s
364	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
365	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
366	BrONO₂	Bromine nitrate	¹A^'	C_s
367	TiF₄	Titanium tetrafluoride	¹A₁	T_d
368	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
369	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h
370	C₃H₃N₃O₃	cyanuric acid	¹A₁^'	D_3h

count

Species

Name

State

Conformation

Hydrogen atom

¹S

K_h

Helium atom

¹S

K_h

Helium atom

Li^-

Lithium atom anion

¹S

K_h

LiH

Lithium Hydride

¹Σ

C_∞v

Potassium hydride

¹Σ

C_∞v

BeH

beryllium monohydride

²Σ

C_∞v

MgH

magnesium monohydride

²Σ

C_∞v

TiH

Titanium monohydride

⁴Φ

C_∞v

BeH₂⁺

Beryllium dihydride cation

MgH₂

magnesium dihydride

¹Σ_g

D_∞h

Aluminum atom

²P

K_h

Al^-

Aluminum atom anion

³P

K_h

Al⁺

Aluminum atom cation

¹S

K_h

Scandium atom

²D

K_h

Sc⁺

Scandium cation

³D

K_h

Boron monohydride

¹Σ

C_∞v

Boron monohydride

³Π

C_∞v

ScH

Scandium monohydride

¹Σ

C_∞v

GaH⁺

Gallium monohydride cation

²Σ

C_∞v

BH₃⁺

boron trihydride cation

²B₂

C_2v

BH₃⁺

boron trihydride cation

C_2v

AlH₃

aluminum trihydride

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

C^-

Carbon atom anion

²D

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

SiH₂D₂

silane-d2

SiH₄

Silane

¹A₁

T_d

SiH₅⁺

Silane, protonated

Nitrogen atom

⁴S

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

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

⁶Σ

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

F^-

Fluorine atom anion

¹S

K_h

F⁺

Fluorine atom cation

³S

K_h

F⁺

Fluorine atom cation

¹D

K_h

Chlorine atom

²P

K_h

Cl^-

Chlorine atom anion

¹S

K_h

100

Cl⁺

Chlorine atom cation

³P

K_h

101

Cl⁺

Chlorine atom cation

¹D

K_h

102

Hydrogen fluoride

¹Σ

C_∞v

103

HCl⁺

hydrogen chloride cation

²Π

C_∞v

104

HBr

hydrogen bromide

¹Σ

C_∞v

105

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

106

H₂Br⁺

protonated hydrogen bromide

²A₁

C_2v

107

Neon atom

¹S

K_h

108

Neon atom

109

Krypton atom

¹S

K_h

110

Kr⁺

Krypton cation

²P

K_h

111

ArH⁺

Argon hydride cation

¹Σ

C_∞v

112

KrH⁺

Protonated Krypton

¹Σ

C_∞v

113

H₂Ar

H2 Ar dimer

¹Σ

C_∞v

114

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

115

Na₂⁺

sodium diatomic cation

²Σ_g

D_∞h

116

NaK⁺

Sodium Potassium diatomic cation

117

BeMg

Beryllium Magnesium

¹Σ

C_∞v

118

LiB

Lithium boride

³Π

C_∞v

119

NaAl

Sodium aluminum

¹Σ

C_∞v

120

BeB

Beryllium monoboride

²Π

C_∞v

121

B₂

Boron diatomic

¹Σ_g

D_∞h

122

B₂

Boron diatomic

⁵Σ_u

D_∞h

123

B₂⁺

Boron diatomic cation

²Π

D_∞h

124

BAl

Boron Aluminum

³Σ

C_∞v

125

BGa

Boron Gallium

³Σ

C_∞v

126

AlGa

Aluminum Gallium

³Σ

C_∞v

127

AlGa

Aluminum Gallium

¹Σ

C_∞v

128

Ga₂

Gallium diatomic

³P_iu

129

HBBH

Diborane(2)

³Σ_G

D_∞h

130

B₂H₄

Diborane(4) D2d

¹A₁

D_2d

131

HBHHBH

Diborane(4) C2V

¹A₁

C_2v

132

B₂H₆

Diborane

¹A_g

D_2h

133

B₂H₆⁺

Diborane cation

134

Ga₂H₆

digallane

¹A_G

D_2h

135

BeC

Beryllium Carbide

³Σ^-

C_∞v

136

BeC

Beryllium Carbide

137

CaC

Calcium monocarbide

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 cation

²Π_u

D_∞h

148

H₂CC^-

vinylidene anion

149

CH₃Li

methyl lithium

¹A₁

C_3v

150

CH₂BH

methyleneborane

¹A₁

C_2v

151

C₂H₃

vinyl

²A^'

C_s

152

C₂H₃^-

vinyl anion

¹A^'

C_s

153

C₂H₄^-

Ethylene anion

²A_g

C_2h

154

CH₃BH₂

methylborane

¹A^'

C_s

155

C₂H₅

Ethyl radical

²A^'

C_s

156

C₂H₆

Ethane

¹A_1g

D_3d

157

Si₂H₆

disilane

¹E_u

D_3d

158

LiP

Lithium monophosphide

159

LiP

Lithium monophosphide

160

BeN⁺

Beryllium mononitride cation

³Σ

C_∞v

161

BeN⁺

Beryllium mononitride cation

¹Σ

C_∞v

162

MgN

Magnesium Nitride

163

Boron monophosphide

³Π

C_∞v

164

Boron monophosphide

¹Σ

C_∞v

165

AlP

Aluminum monophosphide

³Σ

C_∞v

166

AlP

Aluminum monophosphide

³Π

C_∞v

167

AlP

Aluminum monophosphide

¹Σ

C_∞v

168

GaP

Gallium monophosphide

³Σ

C_∞v

169

GaP

Gallium monophosphide

¹Σ

C_∞v

170

GaAs

Gallium arsenide

³Π

171

GaAs

Gallium arsenide

¹Σ

172

boron nitride

³Π

C_∞v

173

boron nitride

¹Σ

C_∞v

174

Cyano radical

²Σ

C_∞v

175

CN^-

cyanide anion

¹Σ

C_∞v

176

N₂^-

nitrogen diatomic anion

²Π_g

D_∞h

177

HCN

Hydrogen cyanide

¹Σ

C_∞v

178

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

179

HNC⁺

hydrogen isocyanide cation

180

NNH⁺

Dinitrogen monohydride cation

¹Σ

C_∞v

181

N₂H₂

(E)-diazene

¹A_g

C_2h

182

N₂H₂

(Z)-Diazene

¹A₁

C_2v

183

N₂H₂⁺

trans-diazene cation

²A_G

C_2h

184

CH₂NH⁺

Methanimine cation

185

CH₂NH₂⁺

methyleneamine cation

¹A₁

C_2v

186

N₂H₄⁺

hydrazine cation

²A_G

C_2h

187

CH₃NH₂

methyl amine

¹A^'

C_s

188

CH₃NH₂⁺

methyl amine cation

²A^'

C_s

189

BH₃NH₃

borane ammonia

¹A₁

C_3v

190

N₂H₇⁺

ammonia ammonium dimer

191

LiO

lithium oxide

²Σ

C_∞v

192

LiS

Lithium monosulfide

²Π

C_∞v

193

LiS⁺

Lithium sulfide cation

³Σ

C_∞v

194

NaO

sodium monoxide

²Σ

C_∞v

195

Potassium monoxide

²Σ

C_∞v

196

KO⁺

Potassium monoxide cation

³Σ

C_∞v

197

NaS

Sodium sulfide

²Π

C_∞v

198

CaS

Calcium sulfide

¹Σ

C_∞v

199

boron monoxide

²Σ

C_∞v

200

ScO

Scandium monoxide

²Σ

C_∞v

201

Carbon monoxide

¹Σ

C_∞v

202

CO^-

carbon monoxide anion

²Π

C_∞v

203

CO⁺

carbon monoxide cation

²Σ

C_∞v

204

TiO

Titanium monoxide

³Δ

C_∞v

205

GeO⁺

Germanium monoxide cation

²Σ

C_∞v

206

GeS

Germanium monosulfide

¹Σ

C_∞v

207

SiSe

Silicon Monoselenide

208

SiSe⁺

Silicon Monoselenide cation

209

Nitric oxide

²Π

C_∞v

210

NO^-

nitric oxide anion

³Σ

C_∞v

211

NO⁺

nitric oxide cation

¹Σ

C_∞v

212

Mononitrogen monosulfide

²Π

C_∞v

213

Phosphorus monoxide

²Π

C_∞v

214

phosphorus sulfide

²Σ

C_∞v

215

Vanadium monoxide

⁴Σ^-

216

NSe

Nitrogen monoselenide

²Π

C_∞v

217

AsS

Arsenic monosulfide

²Π

C_∞v

218

PSe

Phosphorus monoselenide

²Π

C_∞v

219

O₂

Oxygen diatomic

³Σ_g

D_∞h

220

O₂^-

oxygen diatomic anion

²Π

D_∞h

221

SO⁺

sulfur monoxide cation

²Π

C_∞v

222

S₂

Sulfur diatomic

³Σ_g

D_∞h

223

LiOH

lithium hydroxide

¹Σ

C_∞v

224

BeOH

beryllium monohydroxide

²Σ

C_∞v

225

HBO

Boron hydride oxide

¹Σ

C_∞v

226

COH

Hydroxymethylidyne

227

COH⁺

Carbon Monoxide, protonated

¹Σ

C_∞v

228

HCO^-

formyl anion

¹A^'

C_s

229

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

230

NOH

Hydroxyimidogen

³A^"

C_s

231

NOH⁺

O-protonated nitric oxide

²A^'

C_s

232

HO₂

Hydroperoxy radical

²A^"

C_s

233

HO₂⁺

Hydroperoxy cation

³A^"

C_s

234

HSO⁺

Sulfur Monoxide, S-protonated

235

SOH⁺

Sulfur Monoxide, protonated

236

H₂CO^-

formaldehyde anion

²A^'

C_s

237

H₂CO⁺

formaldehyde cation

²B₂

C_2v

238

H₂CS

Thioformaldehyde

¹A₁

C_2v

239

H₂NO

nitroxide

²B₁

C_2v

240

H₂NO

nitroxide

²A^'

C_s

241

H₂O₂

Hydrogen peroxide

¹A

C₂

242

H₂O₂

Hydrogen peroxide

¹A_g

C_2h

243

H₂S₂

Disulfane

¹A

C₂

244

H₂S₂⁺

hydrogen disulfide cation

²B_g

C_2h

245

CH₂OH

Hydroxymethyl radical

²A

C₁

246

CH₃O⁺

Methoxy cation

³A₁

C_3v

247

NH₂OH

hydroxylamine

¹A^'

C_s

248

NH₂OH⁺

Hydroxylamine cation

249

CH₃OH^-

Methyl alcohol anion

²A^'

C_s

250

CH₃OH^-

Methyl alcohol anion

²A^'

CS eclipsed

251

CH₃SH

Methanethiol

¹A^'

C_s

252

CH₃SH⁺

Methanethiol cation

²A^"

C_s

253

H₂OH₂O

water dimer

¹A^'

C_s

254

LiCl

lithium chloride

¹Σ

C_∞v

255

NaF

sodium fluoride

¹Σ

C_∞v

256

NaCl

Sodium Chloride

¹Σ

C_∞v

257

MgF⁺

magnesium fluoride cation

¹Σ

C_∞v

258

ZnF

Zinc monofluoride

²Σ

C_∞v

259

ScF

Scandium monofluoride

¹Σ

C_∞v

260

GaF⁺

Gallium monofluoride cation

²Σ

C_∞v

261

GaCl⁺

Gallium monochloride cation

²Σ

C_∞v

262

Fluoromethylidyne

²Π

C_∞v

263

SiF

silicon monofluoride

²Π

C_∞v

264

SiF⁺

silicon monofluoride cation

¹Σ

C_∞v

265

NCl

nitrogen monochloride

³Σ

C_∞v

266

AsF

Arsenic monofluoride

³Σ

C_∞v

267

AsCl

Arsenic monochloride

³Σ

C_∞v

268

Oxygen monofluoride

²Π

C_∞v

269

Monosulfur monofluoride

²Π

C_∞v

270

SeF

Selenium monofluoride

²Π

C_∞v

271

SeCl

Selenium monochloride

²Π

C_∞v

272

F₂

Fluorine diatomic

¹Σ_g

D_∞h

273

F₂^-

flourine diatomic anion

²Σ_u

D_∞h

274

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

275

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

276

Cl₂

Chlorine diatomic

¹Σ_g

D_∞h

277

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

278

HCF

Fluoromethylene

¹A^'

C_s

279

HCF

Fluoromethylene

³A^"

C_s

280

HOCl⁺

hypochlorous acid cation

281

ClFH⁺

Chlorine fluoride, F-protonated

282

FClH⁺

Chlorine fluoride, Cl-protonated

283

CH₂F

fluoromethyl radical

²A

C_s

284

CH₃F

Methyl fluoride

¹A₁

C_3v

285

CH₃Cl

Methyl chloride

¹A₁

C_3v

286

LiNe⁺

Lithium Neon cation

287

Ne₂⁺

Neon diatomic cation

²Σ_u

D_∞h

288

Ar₂

Argon diatomic

¹S_g

D_∞h

289

Ar₂⁺

Argon diatomic cation

²Σ_u

D_∞h

290

Li₃

Lithium trimer

²B₂

C_2v

291

Li₃⁺

Lithium trimer cation

¹A₁^'

D_3h

292

C₃

carbon trimer

¹Σ_g

D_∞h

293

C₃

carbon trimer

¹A₁

C_2v

294

C₃H₃

cyclopropenyl radical

²A^'

C_s

295

C₃H₅

Allyl radical

²A^"

C_s

296

LiCN

lithium cyanide

¹Σ

C*V LiCN

297

LiCN

lithium cyanide

¹A^'

C_s

298

LiCN

lithium cyanide

¹Σ

C*V LiNC

299

NaCN

Sodium Cyanide

¹Σ

C_∞v

300

NaCN

Sodium Cyanide

¹A

C_s

301

KCN

Potassium cyanide

¹Σ

C_∞v

302

KCN

Potassium cyanide

¹Σ

C_∞v

303

KCN

Potassium cyanide

¹A^'

C_s

304

N₃

azide radical

²Π_g

D_∞h

305

N₃⁺

azide cation

³Σ_g

D_∞h

306

N₃⁺

azide cation

³Σ

C_∞v

307

HCCN

cyanomethylene

³A^"

C_s

308

NH₂CN

cyanamide

¹A₁

C_2v

309

HNCNH₂⁺

diiminomethane, protonated

¹A^'

C_s

310

CH₂CHNH

vinylazine

²A^"

CS cis

311

Li₂O

dilithium oxide

¹Σ_g

D_∞h

312

Li₂S

dilithium sulfide

¹Σ_G

D_∞h

313

Li₂S

dilithium sulfide

¹A₁

C_2v

314

CCO

Dicarbon monoxide

³Σ

C_∞v

315

CCO

Dicarbon monoxide

¹Π

C_∞v

316

NCO

isocyanato radical

²Π

C_∞v

317

N₂O

Nitrous oxide

¹Σ

C_∞v

318

N₂O^-

Nitrous oxide anion

²A^'

C_s

319

OCS

Carbonyl sulfide

¹Σ

C_∞v

320

SiS₂

Silicon disulfide

¹Σ_G

D_∞h

321

NO₂

Nitrogen dioxide

²A₁

C_2v

322

NO₂⁺

Nitrogen dioxide cation

¹Σ_G

D_∞h

323

O₃

Ozone

¹A₁

C_s

324

S₃

Sulfur trimer

¹A₁

C_2v

325

S₃⁺

Sulfur trimer cation

²B₂

C_2v

326

HCNO

fulminic acid

¹Σ

C_∞v

327

HCNO

fulminic acid

¹A^'

C_s

328

HNCS

Isothiocyanic acid

329

HNNO⁺

Nitrous oxide, N-protonated

¹A^'

C_s

330

NNOH⁺

Nitrous Oxide, O-protonated

¹A^'

C_s

331

O₃H⁺

protonated ozone

¹A^'

C_s

332

Be(OH)₂

Beryllium hydroxide

333

Be(OH)₂

Beryllium hydroxide

334

H₂COO

Dioxymethyl radical

²A^'

C_s

335

H₂COO⁺

dioxymethyl cation

²A^'

C_s

336

HCOOH

Formic acid

¹A^'

C_s

337

CH₂BOH

hydroxy(methylene)borane

¹A^'

C_s

338

BH₃CO

Borane carbonyl

¹A₁

C_3v

339

CH₃BO

Borane, methyloxo-

¹A₁

C_3v

340

CH₃NO

nitrosomethane

¹A^'

C_s

341

CuF₂

Copper difluoride

²Π_g

D_∞h

342

CNF

iso cyanogen fluoride

¹Σ

C_∞v

343

FCO

Carbonyl fluoride

²A^'

C_s

344

FCO⁺

Carbonyl fluoride cation

¹Σ

C_∞v

345

ClCO

carbonyl monochloride

²A^'

C_s

346

FSN

Thiazyl fluoride

¹A^'

C_s

347

CF₂

Difluoromethylene

¹A₁

D_∞h

348

CFCl

chlorofluoromethylene

¹A^'

C_s

349

OClO^-

Chlorine dioxide anion

¹A^'

C_s

350

HFCO⁺

formyl fluoride cation

²A^'

C_s

351

C₄H₂

Diacetylene

¹Σ_g

D_∞h

352

Li₃N

trilithium nitride

¹A^'

D_3h

353

C₂N₂

Cyanogen

¹Σ_g

D_∞h

354

C₄H₈

cyclobutane

¹A₁

D_2d

355

P(CH₃)₃

trimethylphosphine

¹A₁

C_3v

356

C₃O

Tricarbon monoxide

¹Σ

C_∞v

357

ONNO

NO dimer

¹A_g

trans C2H

358

NH₂COOH

Carbamic acid

¹A^'

C_s

359

NH₂COOH

Carbamic acid

¹A

C₁

360

NH₂CONH₂

Urea

¹A₁

C_2v

361

NH₂COOH₂⁺

Carbamic acid, O-protonated

¹A

C₁

362

C₃H₆O

Oxetane

¹A₁

C_2v

363

C₃H₆O

Oxetane

¹A^'

C_s

364

NBr₃

Nitrogen Tribromide

¹A₁

C_3v

365

C₄H₆N⁺

pyrrole, beta-protonated

¹A^'

C_s

366

BrONO₂

Bromine nitrate

¹A^'

C_s

367

TiF₄

Titanium tetrafluoride

¹A₁

T_d

368

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

¹A^'

C_s

369

PF₆^-

Hexafluorophosphate ion

¹A_1G

O_h

370

C₃H₃N₃O₃

cyanuric acid

¹A₁^'

D_3h

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H^-	Hydrogen atom anion	h-
5	H⁺	Hydrogen atom cation	h+
6	D₂	Deuterium diatomic	d2
7	H₂	Hydrogen diatomic	h2
8	H₂^-	hydrogen diatomic anion	h2-
9	H₂⁺	Hydrogen cation	h2+
10	HD	Deuterium hydride	hd
11	H₃⁺	hydrogen trimer cation	h3+
12	He^-	Helium atom anion	he-
13	He⁺	Helium atom cation	he+
14	HeH	Helium hydride	heh
15	HeH⁺	Helium hydride cation	heh+
16	He₂⁺	helium diatomic cation	he2+
17	Li	Lithium atom	li
18	Li⁺	Lithium atom cation	li+
19	Na	Sodium atom	na
20	Na^-	Sodium atom anion	na-
21	Na⁺	Sodium atom cation	na+
22	K	Potassium atom	k
23	K^-	Potassium atom anion	k-
24	K⁺	Potassium atom cation	k+
25	Cu	Copper atom	cu
26	Cu^-	Copper atom anion	cu-
27	Cu⁺	Copper atom cation	cu+
28	LiH^-	lithium hydride anion	lih-
29	LiH⁺	lithium hydride cation	lih+
30	NaH	sodium hydride	nah
31	NaH^-	sodium hydride anion	nah-
32	NaH⁺	sodium hydride cation	nah+
33	KH⁺	Potassium hydrogen cation	kh+
34	CuH	Copper monohydride	cuh
35	Be	Beryllium atom	be
36	Be^-	Beryllium atom anion	be-
37	Be⁺	Beryllium atom cation	be+
38	Mg	Magnesium atom	mg
39	Mg^-	Magnesium atom anion	mg-
40	Mg⁺	Magnesium atom cation	mg+
41	Ca	Calcium atom	ca
42	Ca^-	Calcium atom anion	ca-
43	Ca⁺	Calcium atom cation	ca+
44	Zn	Zinc atom	zn
45	Zn^-	Zinc atom anion	zn-
46	Zn⁺	Zinc atom cation	zn+
47	BeH^-	berylium monohydride anion	beh-
48	BeH⁺	beryllium monohydride cation	beh+
49	MgH^-	magnesium monohydride anion	mgh-
50	MgH⁺	magnesium monohydride cation	mgh+
51	CaH	Calcium monohydride	cah
52	CaH⁺	Calcium monohydride cation	cah+
53	ZnH	Zinc monohydride	znh
54	ZnH⁺	Zinc, protonated	znh+
55	BeH₂	beryllium dihydride	beh2
56	CaH₂	Calcium Hydride	cah2
57	ZnH₂	Zinc hydride	znh2
58	B	Boron atom	b
59	B^-	Boron atom anion	b-
60	B⁺	Boron atom cation	b+
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	si
85	Si⁺	Silicon atom cation	si+
86	Ti	Titanium atom	ti
87	Ti^-	Titanium atom anion	ti-
88	Ti⁺	Titanium atom cation	ti+
89	Ge	Germanium atom	ge
90	Ge^-	Germanium anion	ge-
91	Ge⁺	Germanium cation	ge+
92	Sn	Tin atom	sn
93	Sn⁺	Tin cation	sn+
94	CH	Methylidyne	ch
95	CH^-	methylidyne anion	ch-
96	CH⁺	Methylidyne cation	ch+
97	SiH^-	silicon monohydride anion	sih-
98	SiH₂	silicon dihydride	sih2
99	SiH₂^-	silicon dihydride anion	sih2-
100	SiH₂⁺	silicon dihydride cation	sih2+
101	GeH₂^-	germylene anion	geh2-
102	SiH₃^-	Silyl anion	sih3-
103	GeH₃	Germyl radical	geh3
104	GeH₃⁺	germyl cation	geh3+
105	CD₄	methane-d4	cd4
106	CH₂D₂	methane-d2	ch2d2
107	CH₃D	methane-d	ch3d
108	CH₄⁺	Methane cation	ch4+
109	CHD₃	methane-d3	chd3
110	SiH₄⁺	Silane cation	sih4+
111	GeH₄	Germane	geh4
112	SnH₄	Stannane	snh4
113	N^-	Nitrogen atom anion	n-
114	N⁺	Nitrogen atom cation	n+
115	P^-	Phosphorus atom anion	p-
116	P⁺	Phosphorus atom cation	p+
117	Sb	Antimony atom	sb
118	NH	Imidogen	nh
119	NH^-	Imidogen anion	nh-
120	NH⁺	imidogen cation	nh+
121	PH^-	phosphorus monohydride anion	ph-
122	PH⁺	phosphorus monohydride cation	ph+
123	AsH	Arsenic monohydride	ash
124	AsH⁺	Arsenic monohydride cation	ash+
125	SbH	Antimony monohydride	sbh
126	ND₂	Amidogen-d2	nd2
127	NH₂^-	amino anion	nh2-
128	PH₂	Phosphino radical	ph2
129	PH₂^-	Phosphino anion	ph2-
130	PH₂⁺	Phosphino cation	ph2+
131	AsH₂	Arsenic dihydride	ash2
132	AsH₂⁺	Arsenic dihydride cation	ash2+
133	ND₃	Ammonia-d3	nd3
134	AsH₃	Arsine	ash3
135	AsH₃⁺	Arsine cation	ash3+
136	SbH₃	Stibine	sbh3
137	AsH₄⁺	Arsonium	ash4+
138	NH₄	Ammonium radical	nh4
139	O	Oxygen atom	o
140	O^-	Oxygen atom anion	o-
141	O⁺	Oxygen atom cation	o+
142	Cr	Chromium atom	cr
143	Se	Selenium atom	se
144	Se^-	Selenium atom anion	se-
145	Se⁺	Selenium atom cation	se+
146	Te	Tellurium atom	te
147	Te⁺	Tellurium atom cation	te+
148	DO	Hydroxyl-d	od
149	DS	Mercapto-d	ds
150	HSe	Selenium monohydride	hse
151	HSe^-	selenium monohydride anion	hse-
152	TeH	Telluryl radical	teh
153	D₂O	Deuterium oxide	d2o
154	D₂S	Hydrogen sulfide-d2	d2s
155	H₂S^-	Hydrogen sulfide anion	h2s-
156	H₂Se⁺	Hydrogen selenide cation	h2se+
157	H₂Te	Hydrogen Telluride	h2te
158	F	Fluorine atom	f
159	Mn	Manganese atom	mn
160	Br	Bromine atom	br
161	Br^-	Bromine atom anion	br-
162	Br⁺	Bromine atom cation	br+
163	I	Iodine atom	iodine
164	I^-	Iodine atom anion	iodine-
165	I⁺	Iodine atom cation	iodine+
166	DF	Hydrofluoric acid-d	df
167	HF^-	hydrogen fluoride anion	hf-
168	HF⁺	hydrogen fluoride cation	hf+
169	DCl	Hydrochloric acid-d	dcl
170	HCl	Hydrogen chloride	hcl
171	HCl^-	hydrogen chloride anion	hcl-
172	HBr^-	hydrogen bromide anion	hbr-
173	HBr⁺	hydrogen bromide cation	hbr+
174	HI	Hydrogen iodide	hi
175	HI⁺	Hydrogen iodide cation	hi+
176	H₂F⁺	dihydrogen fluoride cation	h2f+
177	H₂I⁺	Iodonium	h2i+
178	Ne^-	Neon atom anion	ne-
179	Ne⁺	Neon atom cation	ne+
180	Ar	Argon atom	ar
181	Ar^-	Argon atom anion	ar-
182	Ar⁺	Argon atom cation	ar+
183	Fe	Iron atom	fe
184	Xe	Xenon atom	xe
185	HeLi⁺	Helium Lithium cation	heli+
186	NeH	neon hydrogen	neh
187	NeH⁺	neon hydrogen cation	neh+
188	XeH⁺	Xenon, protonated	xeh+
189	Co	Cobalt atom	cobalt
190	Ni	Nickel atom	ni
191	Li₂	Lithium diatomic	li2
192	Li₂^-	lithium diatomic anion	li2-
193	Li₂⁺	lithium diatomic cation	li2+
194	NaLi	lithium sodium	lina
195	NaLi^-	lithium sodium anion	lina-
196	NaLi⁺	lithium sodium cation	lina+
197	LiK	Lithium Potassium	lik
198	Na₂	Sodium diatomic	na2
199	NaK	Sodium Potassium	nak
200	K₂	Potassium diatomic	k2
201	Cu₂	Copper diatomic	cu2
202	LiBe	Lithium Beryllium	libe
203	LiMg	Lithium magnesium	limg
204	NaBe	Sodium Beryllium	nabe
205	NaMg	Sodium Magnesium	namg
206	Be₂	Beryllium diatomic	be2
207	Be₂^-	Beryllium diatomic anion	be2-
208	Be₂⁺	Beryllium diatomic cation	be2+
209	Mg₂	Magnesium diatomic	mg2
210	Mg₂^-	magnesium diatomic anion	mg2-
211	Mg₂⁺	magnesium diatomic cation	mg2+
212	Ca₂	Calcium diatomic	ca2
213	LiAl	Lithium Aluminum	lial
214	B₂	Boron diatomic	b2
215	B₂^-	Boron diatomic anion	b2-
216	Al₂	Aluminum diatomic	al2
217	Al₂^-	aluminum diatomic anion	al2-
218	Al₂⁺	aluminum diatomic cation	al2+
219	LiBH₄	Lithium borohydride	libh4
220	Al₂H₆	dialane	al2h6
221	LiC	Lithium Carbide	lic
222	BC	boron monocarbide	bc
223	BC^-	boron monocarbide anion	bc-
224	BC⁺	boron monocarbide cation	bc+
225	C₂^-	carbon diatomic anion	c2-
226	SiC	silicon monocarbide	sic
227	SiC^-	silicon monocarbide anion	sic-
228	SiC⁺	silicon monocarbide cation	sic+
229	Si₂	Silicon diatomic	si2
230	Si₂^-	silcon diatomic anion	si2-
231	Si₂⁺	silcon diatomic cation	si2+
232	GeC	Germanium monocarbide	gec
233	Ge₂	Germanium diatomic	ge2
234	C₂H⁺	Ethynyl cation	c2h+
235	ZnCH₂	Zinc methylene	znch2
236	C₂H₂	Acetylene	c2h2
237	CCH₂	vinylidene	vinylidene
238	HCCH^-	acetylene anion	c2h2-
239	Si₂H₂	disilyne	si2h2
240	CuCH₃	monomethyl copper	cuch3
241	ZnCH₃	Zinc monomethyl	znch3
242	C₂H₃⁺	vinyl cation	c2h3+
243	C₂H₄	Ethylene	c2h4
244	C₂H₄⁺	Ethylene cation	c2h4+
245	CH₃CH	methylmethylene	ch3ch
246	CH₂SiH₂	silaethylene	ch2sih2
247	Si₂H₄	Disilene	si2h4
248	C₂H₅^-	Ethyl anion	c2h5-
249	C₂H₅⁺	Ethyl cation	c2h5+
250	C₂H₆⁺	ethane cation	c2h6+
251	CH₃SiH₃	methyl silane	ch3sih3
252	GeH₃CH₃	methyl germane	geh3ch3
253	C₂H₇⁺	Ethane, protonated	c2h7+
254	LiN	Lithium Nitride	lin
255	LiN⁺	Lithium Nitride cation	lin+
256	BeN	Beryllium mononitride	ben
257	BeN^-	Beryllium mononitride anion	ben-
258	BN^-	boron nitride anion	bn-
259	AlN^-	aluminum mononitride anion	aln-
260	AlN⁺	aluminum mononitride cation	aln+
261	GaN	Gallium mononitride	gan
262	BN⁺	boron nitride cation	bn+
263	AlN	Aluminum nitride	aln
264	CN⁺	Cyano cation	cn+
265	CP	Carbon monophosphide	cp
266	CP^-	carbon monophosphide anion	cp-
267	CP⁺	carbon monophosphide cation	cp+
268	SiN	Silicon nitride	sin
269	SiN^-	silicon mononitride anion	sin-
270	SiN⁺	silicon mononitride cation	sin+
271	SiP	Silicon monophosphide	sip
272	SiP^-	Silicon monophosphide anion	sip-
273	SiP⁺	Silicon monophosphide cation	sip+
274	TiN	Titanium mononitride	tin
275	N₂	Nitrogen diatomic	n2
276	N₂⁺	diatomic nitrogen cation	n2+
277	PN	Phosphorus mononitride	pn
278	PN^-	phosphorus nitride anion	pn-
279	PN⁺	phosphorus nitride cation	pn+
280	P₂	Phosphorus diatomic	p2
281	P₂^-	phosphorus diatomic anion	p2-
282	P₂⁺	phosphorus diatomic cation	p2+
283	AsN	Arsenic mononitride	asn
284	AsP	Arsenic monophosphide	asp
285	SbN	Antimony nitride	sbn
286	As₂	Arsenic diatomic	as2
287	HNB	hydrogen nitrogen boron	hnb
288	HNC	hydrogen isocyanide	hnc
289	HCN^-	Hydrogen cyanide anion	hcn-
290	HCP	Phosphaethyne	hcp
291	HCP⁺	Phosphaethyne cation	hcp+
292	NNH	Dinitrogen monohydride	nnh
293	HPO	Hydrogen phosphorus oxide	hpo
294	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
295	LiNH₂	lithium amide	linh2
296	HBNH	Boranimine	hbnh
297	CNH₂	Aminomethylidyne radical	cnh2
298	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
299	H₂CN	Dihydrogen cyanide radical	h2cn
300	H₂CN⁺	hydrocyanonium cation	h2cn+
301	HCNH	methyleneazane	hcnh
302	HCNH⁺	N-protonated HCN	hcnh+
303	H₂NN	Isodiazene	h2nn
304	CH₂NH	Methanimine	ch3n
305	CHNH₂	aminomethylene	chnh2
306	CHNH₂⁺	Aminocarbene cation	chnh2+
307	CH₂PH	Phosphaethene	ch3p
308	BH₂NH₂	Boranamine	bh2nh2
309	N₂H₄	Hydrazine	n2h4
310	P₂H₄	Diphosphine	p2h4
311	CH₃PH₂	Methyl phosphine	ch3ph2
312	SiH₃NH₂	Silane, amino	sih3nh2
313	N₂H₅⁺	protonated hydrazine	n2h5+
314	BH₃PH₃	borane phosphine	bh3ph3
315	CH₃NH₃	methyl ammonium radical	ch3nh3
316	CH₃NH₃⁺	protonated methylamine	ch3nh3+
317	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
318	NH₃NH₃	Ammonia Dimer	nh3nh3
319	LiO^-	lithium oxide anion	lio-
320	LiO⁺	lithium oxide cation	lio+
321	NaO^-	sodium oxide anion	nao-
322	NaO⁺	sodium oxide cation	nao+
323	CuO	Copper Monoxide	cuo
324	LiSe	Lithium monoselenide	lise
325	BeO	beryllium oxide	beo
326	BeO^-	Beryllium monoxide anion	beo-
327	BeO⁺	Beryllium monoxide cation	beo+
328	BeS	beryllium sulfide	bes
329	MgO	magnesium oxide	mgo
330	MgO^-	magnesium oxide anion	mgo-
331	MgO⁺	magnesium oxide cation	mgo+
332	CaO	Calcium monoxide	cao
333	MgS	magnesium sulfide	mgs
334	MgS^-	magnesium sulfide anion	mgs-
335	MgS⁺	magnesium sulfide cation	mgs+
336	ZnO	zinc monoxide	zno
337	ZnS	Zinc sulfide	zns
338	BeS^-	Beryllium monosulfide anion	bes-
339	BeS⁺	Beryllium monosulfide cation	bes+
340	BO^-	boron monoxide anion	bo-
341	AlO	Aluminum monoxide	alo
342	AlO^-	Aluminum monoxide anion	alo-
343	AlO⁺	aluminum monoxide cation	alo+
344	BS	boron sulfide	bs
345	BS^-	boron monosulfide anion	bs-
346	BS⁺	boron monosulfide cation	bs+
347	AlS	Aluminum sulfide	als
348	AlS^-	aluminum monosulfide anion	als-
349	AlS⁺	aluminum monosulfide cation	als+
350	GaO	Gallium monoxide	gao
351	GaS	Gallium monosulfide	gas
352	BO⁺	boron monoxide cation	bo+
353	CS	carbon monosulfide	cs
354	CS^-	carbon monosulfide anion	cs-
355	CS⁺	carbon monosulfide cation	cs+
356	SiO	Silicon monoxide	sio
357	SiO^-	silicon monoxide anion	sio-
358	SiO⁺	silicon monoxide cation	sio+
359	SiS	silicon monosulfide	sis
360	SiS^-	silicon monosulfide anion	sis-
361	SiS⁺	silicon monosulfide cation	sis+
362	CSe	Carbon monoselenide	cse
363	CSe^-	Carbon monoselenide anion	cse-
364	CSe⁺	Carbon monoselenide cation	cse+
365	GeO	Germanium monoxide	geo
366	GeSe	Germanium monoselenide	gese
367	NS^-	nitrogen sulfide anion	ns-
368	NS⁺	nitrogen sulfide cation	ns+
369	PO^-	phosphorus monoxide anion	po-
370	PO⁺	phosphorus monoxide cation	po+
371	PS^-	phosphorus monosulfide anion	ps-
372	PS⁺	phosphorus monosulfide cation	ps+
373	AsO	Arsenic monoxide	aso
374	O₂^--	dioxygen dianion	o2--
375	O₂⁺	diatomic oxygen cation	o2+
376	SO	Sulfur monoxide	so
377	SO^-	sulfur monoxide anion	so-
378	S₂^-	sulfur diatomic anion	s2-
379	S₂⁺	sulfur diatomic cation	s2+
380	SeO	Selenium monoxide	seo
381	SeO^-	selenium monoxide anion	seo-
382	SeO⁺	selenium monoxide cation	seo+
383	SeS	Selenium monosulfide	ses
384	SeS^-	selenium monosulfide anion	ses-
385	SeS⁺	selenium monosulfide cation	ses+
386	TeO	Tellurium monoxide	teo
387	Se₂	Selenium diatomic	se2
388	Se₂^-	selenium diatomic anion	se2-
389	Se₂⁺	selenium diatomic cation	se2+
390	Te₂	Tellurium diatomic	te2
391	NaOH	sodium hydroxide	naoh
392	KOH	Potassium hydroxide	koh
393	MgOH	magnesium hydroxide	mgoh
394	CaOH	Calcium monohydroxide	caoh
395	HBS	hydrogen boron sulfide	hbs
396	HCO	Formyl radical	hco
397	HCO⁺	Formyl cation	hco+
398	HCS	Thioformyl radical	hcs
399	HCS^-	Thioformyl anion	hcs-
400	HCS⁺	Thioformyl cation	hcs+
401	HNO	Nitrosyl hydride	hno
402	HNO^-	Nitrosyl hydride anion	hno-
403	HNS	Sulfur imide	hns
404	HNS^-	Sulfur imide anion	hns-
405	HO₂^-	Hydroperoxy anion	ho2-
406	SOH	Sulfur Hydroxide	soh
407	HS₂	Thiosulfeno radical	hs2
408	H₂CO	Formaldehyde	h2co
409	HOCH	hydroxycarbene	hoch
410	H₂CS^-	thioformaldehyde anion	h2cs-
411	H₂CS⁺	thioformaldehyde cation	h2cs+
412	H₂CSe	Selenoformaldehyde	h2cse
413	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
414	H₂OO	water oxide	h2oo
415	HOSH	hydrogen thioperoxide	hosh
416	H₂Se₂	hydrogen diselenide	h2se2
417	CH₂OH⁺	hydroxymethyl cation	ch2oh+
418	CH₃O	Methoxy radical	ch3o
419	CH₃O^-	methoxy anion	ch3o-
420	CH₃S	thiomethoxy	ch3s
421	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
422	NH₃O	Ammonia Oxide	nh3o
423	H₂POH	Phosphinous acid	h2poh
424	H₃PO	Phosphine oxide	h3po
425	NH₂SH	Thiohydroxylamine	nh2sh
426	NH₃S	sulfidoazane	nh3s
427	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
428	CH₃OH	Methyl alcohol	ch3oh
429	CH₃OH⁺	Methyl alcohol cation	ch3oh+
430	SiH₃OH	silanol	sih3oh
431	CH₃SeH	Methane selenol	ch3seh
432	NH₂OH₂⁺	protonated hydroxylamine	nh2oh2+
433	NH₃OH⁺	N-protonated hydroxylamine	nh3oh+
434	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
435	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
436	H₂ONH₃	Water Ammonia Dimer	h2onh3
437	H₅O₂⁺	Dihydroxonium ion	h5o2+
438	LiF	lithium fluoride	lif
439	LiCl^-	lithium chloride anion	licl-
440	LiCl⁺	lithium chloride cation	licl+
441	NaF^-	sodium fluoride anion	naf-
442	NaF⁺	sodium fluoride cation	naf+
443	KF	Potassium Fluoride	kf
444	NaCl^-	sodium chloride anion	nacl-
445	NaCl⁺	sodium chloride cation	nacl+
446	KCl	Potassium Chloride	kcl
447	CuF	Copper monofluoride	cuf
448	LiBr	Lithium Bromide	libr
449	LiBr^-	lithium bromide anion	libr-
450	LiBr⁺	lithium bromide cation	libr+
451	CuCl	Copper monochloride	cucl
452	NaBr	Sodium Bromide	nabr
453	NaBr^-	sodium bromide anion	nabr-
454	NaBr⁺	sodium bromide cation	nabr+
455	KBr	Potassium Bromide	kbr
456	LiI	Lithium Iodide	lii
457	NaI	Sodium Iodide	nai
458	KI	Potassium Iodide	ki
459	LiF^-	lithium fluoride anion	lif-
460	LiF⁺	lithium fluoride cation	lif+
461	BeF	Beryllium monofluoride	bef
462	BeF^-	Beryllium monofluoride anion	bef-
463	BeF⁺	Beryllium monofluoride cation	bef+
464	BeCl	beryllium monochloride	becl
465	MgF	Magnesium monofluoride	mgf
466	MgF^-	magnesium fluoride anion	mgf-
467	CaF	Calcium monofluoride	caf
468	MgCl	magnesium monochloride	mgcl
469	MgCl^-	magnesium monochloride anion	mgcl-
470	MgCl⁺	magnesium monochloride cation	mgcl+
471	CaCl	calcium monochloride	cacl
472	TiCl	Titanium Monochloride	ticl
473	ZnF^-	Zinc monofluoride anion	znf-
474	ZnF⁺	Zinc monofluoride cation	znf+
475	ZnCl	Zinc monochloride	zncl
476	CaBr	Calcium monobromide	cabr
477	BeCl^-	beryllium monochloride anion	becl-
478	BeCl⁺	beryllium monochloride cation	becl+
479	BF	Boron monofluoride	bf
480	BF^-	Boron monofluoride anion	bf-
481	BF⁺	Boron monofluoride cation	bf+
482	AlF	Aluminum monofluoride	alf
483	AlF^-	Aluminum monofluoride anion	alf-
484	AlF⁺	Aluminum monofluoride cation	alf+
485	BCl	boron monochloride	bcl
486	BCl^-	boron monochloride anion	bcl-
487	BCl⁺	boron monochloride cation	bcl+
488	AlCl	Aluminum monochloride	alcl
489	AlCl^-	aluminum monochloride anion	alcl-
490	AlCl⁺	aluminum monochloride cation	alcl+
491	BBr	Boron monobromide	bbr
492	GaF	Gallium monofluoride	gaf
493	AlBr	Aluminum monobromide	albr
494	GaCl	Gallium monochloride	gacl
495	AlI	Aluminum monoiodide	ali
496	GaBr	Gallium monobromide	gabr
497	CF^-	carbon monofluoride anion	cf-
498	CF⁺	carbon monofluoride cation	cf+
499	CCl	carbon monochloride	ccl
500	CCl^-	carbon monochloride anion	ccl-

count

Species

Name

file name

problem

Deuterium atom

D^-

Deuterium atom anion

D⁺

Deuterium atom cation

H^-

Hydrogen atom anion

H⁺

Hydrogen atom cation

D₂

Deuterium diatomic

H₂

Hydrogen diatomic

H₂^-

hydrogen diatomic anion

h2-

H₂⁺

Hydrogen cation

h2+

Deuterium hydride

H₃⁺

hydrogen trimer cation

h3+

He^-

Helium atom anion

he-

He⁺

Helium atom cation

he+

HeH

Helium hydride

heh

HeH⁺

Helium hydride cation

heh+

He₂⁺

helium diatomic cation

he2+

Lithium atom

Li⁺

Lithium atom cation

li+

Sodium atom

Na^-

Sodium atom anion

na-

Na⁺

Sodium atom cation

na+

Potassium atom

K^-

Potassium atom anion

K⁺

Potassium atom cation

Copper atom

Cu^-

Copper atom anion

cu-

Cu⁺

Copper atom cation

cu+

LiH^-

lithium hydride anion

lih-

LiH⁺

lithium hydride cation

lih+

NaH

sodium hydride

nah

NaH^-

sodium hydride anion

nah-

NaH⁺

sodium hydride cation

nah+

KH⁺

Potassium hydrogen cation

kh+

CuH

Copper monohydride

cuh

Beryllium atom

Be^-

Beryllium atom anion

be-

Be⁺

Beryllium atom cation

be+

Magnesium atom

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^-

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+

ZnH

Zinc monohydride

znh

ZnH⁺

Zinc, protonated

znh+

BeH₂

beryllium dihydride

beh2

CaH₂

Calcium Hydride

cah2

ZnH₂

Zinc hydride

znh2

Boron atom

B^-

Boron atom anion

B⁺

Boron atom cation

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

Silicon atom

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-

100

SiH₂⁺

silicon dihydride cation

sih2+

101

GeH₂^-

germylene anion

geh2-

102

SiH₃^-

Silyl anion

sih3-

103

GeH₃

Germyl radical

geh3

104

GeH₃⁺

germyl cation

geh3+

105

CD₄

methane-d4

cd4

106

CH₂D₂

methane-d2

ch2d2

107

CH₃D

methane-d

ch3d

108

CH₄⁺

Methane cation

ch4+

109

CHD₃

methane-d3

chd3

110

SiH₄⁺

Silane cation

sih4+

111

GeH₄

Germane

geh4

112

SnH₄

Stannane

snh4

113

N^-

Nitrogen atom anion

114

N⁺

Nitrogen atom cation

115

P^-

Phosphorus atom anion

116

P⁺

Phosphorus atom cation

117

Antimony atom

118

Imidogen

119

NH^-

Imidogen anion

nh-

120

NH⁺

imidogen cation

nh+

121

PH^-

phosphorus monohydride anion

ph-

122

PH⁺

phosphorus monohydride cation

ph+

123

AsH

Arsenic monohydride

ash

124

AsH⁺

Arsenic monohydride cation

ash+

125

SbH

Antimony monohydride

sbh

126

ND₂

Amidogen-d2

nd2

127

NH₂^-

amino anion

nh2-

128

PH₂

Phosphino radical

ph2

129

PH₂^-

Phosphino anion

ph2-

130

PH₂⁺

Phosphino cation

ph2+

131

AsH₂

Arsenic dihydride

ash2

132

AsH₂⁺

Arsenic dihydride cation

ash2+

133

ND₃

Ammonia-d3

nd3

134

AsH₃

Arsine

ash3

135

AsH₃⁺

Arsine cation

ash3+

136

SbH₃

Stibine

sbh3

137

AsH₄⁺

Arsonium

ash4+

138

NH₄

Ammonium radical

nh4

139

Oxygen atom

140

O^-

Oxygen atom anion

141

O⁺

Oxygen atom cation

142

Chromium atom

143

Selenium atom

144

Se^-

Selenium atom anion

se-

145

Se⁺

Selenium atom cation

se+

146

Tellurium atom

147

Te⁺

Tellurium atom cation

te+

148

Hydroxyl-d

149

Mercapto-d

150

HSe

Selenium monohydride

hse

151

HSe^-

selenium monohydride anion

hse-

152

TeH

Telluryl radical

teh

153

D₂O

Deuterium oxide

d2o

154

D₂S

Hydrogen sulfide-d2

d2s

155

H₂S^-

Hydrogen sulfide anion

h2s-

156

H₂Se⁺

Hydrogen selenide cation

h2se+

157

H₂Te

Hydrogen Telluride

h2te

158

Fluorine atom

159

Manganese atom

160

Bromine atom

161

Br^-

Bromine atom anion

br-

162

Br⁺

Bromine atom cation

br+

163

Iodine atom

iodine

164

I^-

Iodine atom anion

iodine-

165

I⁺

Iodine atom cation

iodine+

166

Hydrofluoric acid-d

167

HF^-

hydrogen fluoride anion

hf-

168

HF⁺

hydrogen fluoride cation

hf+

169

DCl

Hydrochloric acid-d

dcl

170

HCl

Hydrogen chloride

hcl

171

HCl^-

hydrogen chloride anion

hcl-

172

HBr^-

hydrogen bromide anion

hbr-

173

HBr⁺

hydrogen bromide cation

hbr+

174

Hydrogen iodide

175

HI⁺

Hydrogen iodide cation

hi+

176

H₂F⁺

dihydrogen fluoride cation

h2f+

177

H₂I⁺

Iodonium

h2i+

178

Ne^-

Neon atom anion

ne-

179

Ne⁺

Neon atom cation

ne+

180

Argon atom

181

Ar^-

Argon atom anion

ar-

182

Ar⁺

Argon atom cation

ar+

183

Iron atom

184

Xenon atom

185

HeLi⁺

Helium Lithium cation

heli+

186

NeH

neon hydrogen

neh

187

NeH⁺

neon hydrogen cation

neh+

188

XeH⁺

Xenon, protonated

xeh+

189

Cobalt atom

cobalt

190

Nickel atom

191

Li₂

Lithium diatomic

li2

192

Li₂^-

lithium diatomic anion

li2-

193

Li₂⁺

lithium diatomic cation

li2+

194

NaLi

lithium sodium

lina

195

NaLi^-

lithium sodium anion

lina-

196

NaLi⁺

lithium sodium cation

lina+

197

LiK

Lithium Potassium

lik

198

Na₂

Sodium diatomic

na2

199

NaK

Sodium Potassium

nak

200

K₂

Potassium diatomic

201

Cu₂

Copper diatomic

cu2

202

LiBe

Lithium Beryllium

libe

203

LiMg

Lithium magnesium

limg

204

NaBe

Sodium Beryllium

nabe

205

NaMg

Sodium Magnesium

namg

206

Be₂

Beryllium diatomic

be2

207

Be₂^-

Beryllium diatomic anion

be2-

208

Be₂⁺

Beryllium diatomic cation

be2+

209

Mg₂

Magnesium diatomic

mg2

210

Mg₂^-

magnesium diatomic anion

mg2-

211

Mg₂⁺

magnesium diatomic cation

mg2+

212

Ca₂

Calcium diatomic

ca2

213

LiAl

Lithium Aluminum

lial

214

B₂

Boron diatomic

215

B₂^-

Boron diatomic anion

b2-

216

Al₂

Aluminum diatomic

al2

217

Al₂^-

aluminum diatomic anion

al2-

218

Al₂⁺

aluminum diatomic cation

al2+

219

LiBH₄

Lithium borohydride

libh4

220

Al₂H₆

dialane

al2h6

221

LiC

Lithium Carbide

lic

222

boron monocarbide

223

BC^-

boron monocarbide anion

bc-

224

BC⁺

boron monocarbide cation

bc+

225

C₂^-

carbon diatomic anion

c2-

226

SiC

silicon monocarbide

sic

227

SiC^-

silicon monocarbide anion

sic-

228

SiC⁺

silicon monocarbide cation

sic+

229

Si₂

Silicon diatomic

si2

230

Si₂^-

silcon diatomic anion

si2-

231

Si₂⁺

silcon diatomic cation

si2+

232

GeC

Germanium monocarbide

gec

233

Ge₂

Germanium diatomic

ge2

234

C₂H⁺

Ethynyl cation

c2h+

235

ZnCH₂

Zinc methylene

znch2

236

C₂H₂

Acetylene

c2h2

237

CCH₂

vinylidene

238

HCCH^-

acetylene anion

c2h2-

239

Si₂H₂

disilyne

si2h2

240

CuCH₃

monomethyl copper

cuch3

241

ZnCH₃

Zinc monomethyl

znch3

242

C₂H₃⁺

vinyl cation

c2h3+

243

C₂H₄

Ethylene

c2h4

244

C₂H₄⁺

Ethylene cation

c2h4+

245

CH₃CH

methylmethylene

ch3ch

246

CH₂SiH₂

silaethylene

ch2sih2

247

Si₂H₄

Disilene

si2h4

248

C₂H₅^-

Ethyl anion

c2h5-

249

C₂H₅⁺

Ethyl cation

c2h5+

250

C₂H₆⁺

ethane cation

c2h6+

251

CH₃SiH₃

methyl silane

ch3sih3

252

GeH₃CH₃

methyl germane

geh3ch3

253

C₂H₇⁺

Ethane, protonated

c2h7+

254

LiN

Lithium Nitride

lin

255

LiN⁺

Lithium Nitride cation

lin+

256

BeN

Beryllium mononitride

ben

257

BeN^-

Beryllium mononitride anion

ben-

258

BN^-

boron nitride anion

bn-

259

AlN^-

aluminum mononitride anion

aln-

260

AlN⁺

aluminum mononitride cation

aln+

261

GaN

Gallium mononitride

gan

262

BN⁺

boron nitride cation

bn+

263

AlN

Aluminum nitride

aln

264

CN⁺

Cyano cation

cn+

265

Carbon monophosphide

266

CP^-

carbon monophosphide anion

cp-

267

CP⁺

carbon monophosphide cation

cp+

268

SiN

Silicon nitride

sin

269

SiN^-

silicon mononitride anion

sin-

270

SiN⁺

silicon mononitride cation

sin+

271

SiP

Silicon monophosphide

sip

272

SiP^-

Silicon monophosphide anion

sip-

273

SiP⁺

Silicon monophosphide cation

sip+

274

TiN

Titanium mononitride

tin

275

N₂

Nitrogen diatomic

276

N₂⁺

diatomic nitrogen cation

n2+

277

Phosphorus mononitride

278

PN^-

phosphorus nitride anion

pn-

279

PN⁺

phosphorus nitride cation

pn+

280

P₂

Phosphorus diatomic

281

P₂^-

phosphorus diatomic anion

p2-

282

P₂⁺

phosphorus diatomic cation

p2+

283

AsN

Arsenic mononitride

asn

284

AsP

Arsenic monophosphide

asp

285

SbN

Antimony nitride

sbn

286

As₂

Arsenic diatomic

as2

287

HNB

hydrogen nitrogen boron

hnb

288

HNC

hydrogen isocyanide

hnc

289

HCN^-

Hydrogen cyanide anion

hcn-

290

HCP

Phosphaethyne

hcp

291

HCP⁺

Phosphaethyne cation

hcp+

292

NNH

Dinitrogen monohydride

nnh

293

HPO

Hydrogen phosphorus oxide

hpo

294

HPO⁺

Hydrogen phosphorus oxide cation

hpo+

295

LiNH₂

lithium amide

linh2

296

HBNH

Boranimine

hbnh

297

CNH₂

Aminomethylidyne radical

cnh2

298

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

299

H₂CN

Dihydrogen cyanide radical

h2cn

300

H₂CN⁺

hydrocyanonium cation

h2cn+

301

HCNH

methyleneazane

hcnh

302

HCNH⁺

N-protonated HCN

hcnh+

303

H₂NN

Isodiazene

h2nn

304

CH₂NH

Methanimine

ch3n

305

CHNH₂

aminomethylene

chnh2

306

CHNH₂⁺

Aminocarbene cation

chnh2+

307

CH₂PH

Phosphaethene

ch3p

308

BH₂NH₂

Boranamine

bh2nh2

309

N₂H₄

Hydrazine

n2h4

310

P₂H₄

Diphosphine

p2h4

311

CH₃PH₂

Methyl phosphine

ch3ph2

312

SiH₃NH₂

Silane, amino

sih3nh2

313

N₂H₅⁺

protonated hydrazine

n2h5+

314

BH₃PH₃

borane phosphine

bh3ph3

315

CH₃NH₃

methyl ammonium radical

ch3nh3

316

CH₃NH₃⁺

protonated methylamine

ch3nh3+

317

CH₃PH₃⁺

methyl phosphine, protonated

ch3ph3+

318

NH₃NH₃

Ammonia Dimer

nh3nh3

319

LiO^-

lithium oxide anion

lio-

320

LiO⁺

lithium oxide cation

lio+

321

NaO^-

sodium oxide anion

nao-

322

NaO⁺

sodium oxide cation

nao+

323

CuO

Copper Monoxide

cuo

324

LiSe

Lithium monoselenide

lise

325

BeO

beryllium oxide

beo

326

BeO^-

Beryllium monoxide anion

beo-

327

BeO⁺

Beryllium monoxide cation

beo+

328

BeS

beryllium sulfide

bes

329

MgO

magnesium oxide

mgo

330

MgO^-

magnesium oxide anion

mgo-

331

MgO⁺

magnesium oxide cation

mgo+

332

CaO

Calcium monoxide

cao

333

MgS

magnesium sulfide

mgs

334

MgS^-

magnesium sulfide anion

mgs-

335

MgS⁺

magnesium sulfide cation

mgs+

336

ZnO

zinc monoxide

zno

337

ZnS

Zinc sulfide

zns

338

BeS^-

Beryllium monosulfide anion

bes-

339

BeS⁺

Beryllium monosulfide cation

bes+

340

BO^-

boron monoxide anion

bo-

341

AlO

Aluminum monoxide

alo

342

AlO^-

Aluminum monoxide anion

alo-

343

AlO⁺

aluminum monoxide cation

alo+

344

boron sulfide

345

BS^-

boron monosulfide anion

bs-

346

BS⁺

boron monosulfide cation

bs+

347

AlS

Aluminum sulfide

als

348

AlS^-

aluminum monosulfide anion

als-

349

AlS⁺

aluminum monosulfide cation

als+

350

GaO

Gallium monoxide

gao

351

GaS

Gallium monosulfide

gas

352

BO⁺

boron monoxide cation

bo+

353

carbon monosulfide

354

CS^-

carbon monosulfide anion

cs-

355

CS⁺

carbon monosulfide cation

cs+

356

SiO

Silicon monoxide

sio

357

SiO^-

silicon monoxide anion

sio-

358

SiO⁺

silicon monoxide cation

sio+

359

SiS

silicon monosulfide

sis

360

SiS^-

silicon monosulfide anion

sis-

361

SiS⁺

silicon monosulfide cation

sis+

362

CSe

Carbon monoselenide

cse

363

CSe^-

Carbon monoselenide anion

cse-

364

CSe⁺

Carbon monoselenide cation

cse+

365

GeO

Germanium monoxide

geo

366

GeSe

Germanium monoselenide

gese

367

NS^-

nitrogen sulfide anion

ns-

368

NS⁺

nitrogen sulfide cation

ns+

369

PO^-

phosphorus monoxide anion

po-

370

PO⁺

phosphorus monoxide cation

po+

371

PS^-

phosphorus monosulfide anion

ps-

372

PS⁺

phosphorus monosulfide cation

ps+

373

AsO

Arsenic monoxide

aso

374

O₂^--

dioxygen dianion

o2--

375

O₂⁺

diatomic oxygen cation

o2+

376

Sulfur monoxide

377

SO^-

sulfur monoxide anion

so-

378

S₂^-

sulfur diatomic anion

s2-

379

S₂⁺

sulfur diatomic cation

s2+

380

SeO

Selenium monoxide

seo

381

SeO^-

selenium monoxide anion

seo-

382

SeO⁺

selenium monoxide cation

seo+

383

SeS

Selenium monosulfide

ses

384

SeS^-

selenium monosulfide anion

ses-

385

SeS⁺

selenium monosulfide cation

ses+

386

TeO

Tellurium monoxide

teo

387

Se₂

Selenium diatomic

se2

388

Se₂^-

selenium diatomic anion

se2-

389

Se₂⁺

selenium diatomic cation

se2+

390

Te₂

Tellurium diatomic

te2

391

NaOH

sodium hydroxide

naoh

392

KOH

Potassium hydroxide

koh

393

MgOH

magnesium hydroxide

mgoh

394

CaOH

Calcium monohydroxide

caoh

395

HBS

hydrogen boron sulfide

hbs

396

HCO

Formyl radical

hco

397

HCO⁺

Formyl cation

hco+

398

HCS

Thioformyl radical

hcs

399

HCS^-

Thioformyl anion

hcs-

400

HCS⁺

Thioformyl cation

hcs+

401

HNO

Nitrosyl hydride

hno

402

HNO^-

Nitrosyl hydride anion

hno-

403

HNS

Sulfur imide

hns

404

HNS^-

Sulfur imide anion

hns-

405

HO₂^-

Hydroperoxy anion

ho2-

406

SOH

Sulfur Hydroxide

soh

407

HS₂

Thiosulfeno radical

hs2

408

H₂CO

Formaldehyde

h2co

409

HOCH

hydroxycarbene

hoch

410

H₂CS^-

thioformaldehyde anion

h2cs-

411

H₂CS⁺

thioformaldehyde cation

h2cs+

412

H₂CSe

Selenoformaldehyde

h2cse

413

H₂O₂⁺

Hydrogen peroxide cation

h2o2+

414

H₂OO

water oxide

h2oo

415

HOSH

hydrogen thioperoxide

hosh

416

H₂Se₂

hydrogen diselenide

h2se2

417

CH₂OH⁺

hydroxymethyl cation

ch2oh+

418

CH₃O

Methoxy radical

ch3o

419

CH₃O^-

methoxy anion

ch3o-

420

CH₃S

thiomethoxy

ch3s

421

H₂CSH⁺

Thioformaldehyde, protonated

h2csh+

422

NH₃O

Ammonia Oxide

nh3o

423

H₂POH

Phosphinous acid

h2poh

424

H₃PO

Phosphine oxide

h3po

425

NH₂SH

Thiohydroxylamine

nh2sh

426

NH₃S

sulfidoazane

nh3s

427

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

428

CH₃OH

Methyl alcohol

ch3oh

429

CH₃OH⁺

Methyl alcohol cation

ch3oh+

430

SiH₃OH

silanol

sih3oh

431

CH₃SeH

Methane selenol

ch3seh

432

NH₂OH₂⁺

protonated hydroxylamine

nh2oh2+

433

NH₃OH⁺

N-protonated hydroxylamine

nh3oh+

434

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

435

CH₃SH₂⁺

protonated methylsulfide

ch3sh2+

436

H₂ONH₃

Water Ammonia Dimer

h2onh3

437

H₅O₂⁺

Dihydroxonium ion

h5o2+

438

LiF

lithium fluoride

lif

439

LiCl^-

lithium chloride anion

licl-

440

LiCl⁺

lithium chloride cation

licl+

441

NaF^-

sodium fluoride anion

naf-

442

NaF⁺

sodium fluoride cation

naf+

443

Potassium Fluoride

444

NaCl^-

sodium chloride anion

nacl-

445

NaCl⁺

sodium chloride cation

nacl+

446

KCl

Potassium Chloride

kcl

447

CuF

Copper monofluoride

cuf

448

LiBr

Lithium Bromide

libr

449

LiBr^-

lithium bromide anion

libr-

450

LiBr⁺

lithium bromide cation

libr+

451

CuCl

Copper monochloride

cucl

452

NaBr

Sodium Bromide

nabr

453

NaBr^-

sodium bromide anion

nabr-

454

NaBr⁺

sodium bromide cation

nabr+

455

KBr

Potassium Bromide

kbr

456

LiI

Lithium Iodide

lii

457

NaI

Sodium Iodide

nai

458

Potassium Iodide

459

LiF^-

lithium fluoride anion

lif-

460

LiF⁺

lithium fluoride cation

lif+

461

BeF

Beryllium monofluoride

bef

462

BeF^-

Beryllium monofluoride anion

bef-

463

BeF⁺

Beryllium monofluoride cation

bef+

464

BeCl

beryllium monochloride

becl

465

MgF

Magnesium monofluoride

mgf

466

MgF^-

magnesium fluoride anion

mgf-

467

CaF

Calcium monofluoride

caf

468

MgCl

magnesium monochloride

mgcl

469

MgCl^-

magnesium monochloride anion

mgcl-

470

MgCl⁺

magnesium monochloride cation

mgcl+

471

CaCl

calcium monochloride

cacl

472

TiCl

Titanium Monochloride

ticl

473

ZnF^-

Zinc monofluoride anion

znf-

474

ZnF⁺

Zinc monofluoride cation

znf+

475

ZnCl

Zinc monochloride

zncl

476

CaBr

Calcium monobromide

cabr

477

BeCl^-

beryllium monochloride anion

becl-

478

BeCl⁺

beryllium monochloride cation

becl+

479

Boron monofluoride

480

BF^-

Boron monofluoride anion

bf-

481

BF⁺

Boron monofluoride cation

bf+

482

AlF

Aluminum monofluoride

alf

483

AlF^-

Aluminum monofluoride anion

alf-

484

AlF⁺

Aluminum monofluoride cation

alf+

485

BCl

boron monochloride

bcl

486

BCl^-

boron monochloride anion

bcl-

487

BCl⁺

boron monochloride cation

bcl+

488

AlCl

Aluminum monochloride

alcl

489

AlCl^-

aluminum monochloride anion

alcl-

490

AlCl⁺

aluminum monochloride cation

alcl+

491

BBr

Boron monobromide

bbr

492

GaF

Gallium monofluoride

gaf

493

AlBr

Aluminum monobromide

albr

494

GaCl

Gallium monochloride

gacl

495

AlI

Aluminum monoiodide

ali

496

GaBr

Gallium monobromide

gabr

497

CF^-

carbon monofluoride anion

cf-

498

CF⁺

carbon monofluoride cation

cf+

499

CCl

carbon monochloride

ccl

500

CCl^-

carbon monochloride anion

ccl-

501

CCl⁺

carbon monochloride cation

ccl+

502

SiF^-

silicon monofluoride anion

sif-

503

SiCl

Clorosilylidyne

sicl

504

SiCl^-

silicon monochloride anion

sicl-

505

SiCl⁺

silicon monochloride cation

sicl+

506

CBr

Carbon monobromide

cbr

507

GeF

Germanium monofluoride

gef

508

GeF⁺

Germanium monofluoride cation

gef+

509

GeCl

Germanium monochloride

gecl

510

GeCl⁺

Germanium monochloride cation

gecl+

511

SiBr

Silicon monobromide

sibr

512

SiBr⁺

Silicon monobromide cation

sibr+

513

nitrogen fluoride

514

NF^-

nitrogen monofluorine anion

nf-

515

NF⁺

nitrogen monofluoirde cation

nf+

516

NCl^-

nitrogen monochloride anion

ncl-

517

NCl⁺

nitrogen monochloride cation

ncl+

518

phosphorus monofluoride

519

PF^-

phosphorus monofluoride anion

pf-

520

PF⁺

phosphorus monofluoride cation

pf+

521

PCl

phosphorus chloride

pcl

522

PCl^-

phosphorus monochloride anion

pcl-

523

PCl⁺

phosphorus monochloride cation

pcl+

524

NBr

nitrogen monobromide

nbr

525

PBr

Phosphorus monobromide

pbr

526

SbF

Antimony monofluoride

sbf

527

SbCl

Antimony monochloride

sbcl

528

FO^-

flourine oxide anion

fo-

529

FO⁺

fluorine monoxide cation

fo+

530

ClO

Monochlorine monoxide

clo

531

ClO^-

chlorine monoxide anion

clo-

532

ClO⁺

chlorine monoxide cation

clo+

533

SF^-

sulfur monofluoride anion

sf-

534

SF⁺

sulfur monofluoride cation

sf+

535

SCl

sulfur monochloride

scl

536

SCl^-

sulfur monochloride anion

scl-

537

SCl⁺

sulfur monochloride cation

scl+

538

BrO

Bromine monoxide

bro

539

BrO^-

Bromine monoxide anion

bro-

540

BrO⁺

Bromine monoxide cation

bro+

541

SBr

Sulfur monobromide radical

sbr

542

SBr⁺

Sulfur monobromide cation

sbr+

543

Iodine monoxide

544

SeBr

Selenium monobromide

sebr

545

BrCl

Bromine monochloride

brcl

546

ClF^-

clorine monofluoride anion

clf-

547

ClF⁺

clorine monofluoride cation

clf+

548

Cl₂^-

chlorine diatomic anion

cl2-

549

BrF

Bromine monofluoride

brf

550

BrF^-

bromine fluoride anion

brf-

551

BrF⁺

bromine fluoride cation

brf+

552

BrCl^-

bromine chloride anion

brcl-

553

BrCl⁺

bromine chloride cation

brcl+

554

Iodine monofluoride

555

Br₂

Bromine diatomic

br2

556

Br₂^-

bromine diatomic anion

br2-

557

Br₂⁺

bromine diatomic cation

br2+

558

ICl

Iodine monochloride

icl

559

IBr

Iodine monobromide

ibr

560

I₂

Iodine diatomic

561

I₂⁺

Iodine diatomic cation

i2+

562

HCCl

Chloromethylene

hccl

563

HSiF

fluorosilylene

hsif

564

HSiCl

Chlorosilylene

hsicl

565

HSiBr

monobromosilylene

hsibr

566

CHBr

bromomethylene

chbr

567

HOF

Hypofluorous acid

hfo

568

DOCl

Hypochlorous acid-d

docl

569

HOCl

hypochlorous acid

hocl

570

HOBr

Hypobromous acid

hobr

571

HOBr⁺

Hypobromous acid cation

hobr+

572

HOI

Hypoiodous acid

hoi

573

F₂H⁺

Fluorine, protonated

f2h+

574

FHF

Hydrogen difluoride

fhf

575

FHF^-

Hydrogen difluoride anion

fhf-

576

Cl₂H⁺

Chlorine, protonated

cl2h+

577

CH₂Br

bromomethyl radical

ch2br

578

CH₂F⁺

fluoromethyl cation

ch2f+

579

CH₂Cl⁺

chloromethyl cation

ch2cl+

580

CH₂Cl

chloromethyl radical

ch2cl

581

NH₂F

monofluoroamine

nh2f

582

NH₂Cl

chloramine

nh2cl

583

H₂F₂

Hydrogen fluoride dimer

h2f2

584

CH₃F⁺

methyl fluoride cation

ch3f+

585

CD₃F

methylfluoride-d3

cd3f

586

CD₃Cl

methyl chloride d3

cd3cl

587

CH₃Cl⁺

Methyl chloride cation

ch3cl+

588

SiH₃F

monofluorosilane

sih3f

589

SiH₃Cl

chlorosilane

sih3cl

590

CH₃Br

methyl bromide

ch3br

591

GeH₃F

monofluorogermane

geh3f

592

GeH₃Cl

monochlorogermane

geh3cl

593

SiH₃Br

bromosilane

sih3br

594

CH₃I

methyl iodide

ch3i

595

SiH₃I

Silyl Iodide

sih3i

596

NH₃Cl⁺

protonated monochloroammonia

nh3cl+

597

CH₃ClH⁺

methyl chloride, protonated

ch3clh+

598

NH₄Cl

Ammonium chloride

nh4cl

599

Ne₂

Neon diatomic

ne2

600

C₃⁺

carbon trimer cation

c3+

601

SiC₂

Silicon dicarbide

sic2

602

C₃H₃

Propargyl radical

propargyl

603

C₃H₃^-

Propargyl anion

c3h3-

604

C₃H₃⁺

cyclopropenyl cation

cpr+

605

C₃H₃⁺

Propargyl cation

c3h3+

606

C₃H₄

cyclopropene

cprop

607

CH₂CCH₂

allene

608

CH₃CCH

propyne

609

C₃H₅⁺

Allyl cation

allyl+

610

CH₃CHCH

1-propenyl radical

ch3chch

611

Zn(CH₃)₂

dimethyl zinc

dmz

612

C₃H₆

Cyclopropane

c3h6

613

CH₂CHCH₃

Propene

propene

614

C₃H₇

n-Propyl radical

npropyl

615

C₃H₇⁺

cyclopropane, protonated

c3h7+

616

CH₃CHCH₃

Isopropyl radical

isopropyl

617

CH₃CHCH₃⁺

Isopropyl cation

prop2yl+

618

C₃H₈

Propane

propane

619

SiH₂(CH₃)₂

dimethylsilane

dms

620

Si₃H₈

trisilane

si3h8

621

CuCN

Copper cyanide

cucn

622

ZnCN

Zinc monocyanide

zncn

623

ZnNC

Zinc isocyanide

znnc

624

AlCN

Aluminum monocyanide

alcn

625

AlNC

Aluminum isocyanide

alnc

626

CN₂

3H-Diazirin-3-ylidene

cn2

627

CNN

Diazocarbene

cnn

628

NCN

Cyanoimidogen

ncn

629

N₃^-

azide anion

n3-

630

HCNN

diazomethyl radical

hcnn

631

HN₃

hydrogen azide

hn3

632

HN₃⁺

Hydrazoic acid cation

hn3+

633

HNCNH

diiminomethane

hncnh

634

CH₂N₂

diazirine

ch2n2

635

CH₂NN

diazomethane

ch2nn

636

HNNNH⁺

1,2-Triazadienium

n2h3+

637

NH₂NN⁺

hydrazoic acid, protonated

nh2nn+

638

CH₃CN

Acetonitrile

ch3cn

639

CH₃CN^-

acetonitrile anion

ch3cn-

640

CH₃CN⁺

Acetonitrile cation

ch3cn+

641

CH₃NC

methyl isocyanide

ch3nc

642

CHNCH₂

2H-Azirine

c157164

643

CHNHCH

1H-Azirine

chnhch

644

H₂CCNH

Ethenimine

ch2cnh

645

H₂CNCH

methyleneaminomethylene

ch2nch

646

HCCNH₂

Ethynamine

hccnh2

647

HCNCH₂⁺

2H-Azirine cation

hcnch2+

648

NCNH₃⁺

Cyanamide, protonated

ncnh3+

649

NH₂CNH⁺

cyanamide, cn protonated

nh2cnh+

650

NH₃CN⁺

cyanamide, amine protonated

nh3cn+

651

CH₃CHN

methylmethaniminyl radical

ch3chn

652

NHCHNH₂

aminomethanimine

cn2h4

653

C₂H₅N

Aziridine

c2h5n

654

CH₂CHNH₂

aminoethene

655

CH₂NCH₃

N-methylmethanimine

nmm

656

CH₃CHNH

ethanimine

657

NH₂BHNH₂

diaminoborane

nh2bhnh2

658

C₂H₅NH⁺

Protonated Aziridine

c2h5nh+

659

C₂H₆N⁺

aziridine, protonated

c2h6n+

660

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

661

CH₃CH₂NH₂

Ethylamine

etam

662

CH₃NHCH₃

Dimethylamine

ch3nhch3

663

CH₃PHCH₃

dimethylphosphine

ch3phch3

664

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

665

(CH₃)₂NH₂⁺

dimethylammonium cation

dmam

666

CH₃CH₂NH₃⁺

ethylamine, protonated

pea

667

Li₂O⁺

dilithium oxide cation

li2o+

668

Na₂S

Sodium sulfide

na2s

669

LiO₂

Lithium dioxide

lio2

670

NaO₂

Sodium superoxide

nao2

671

CNO^-

fulminate

cno-

672

NCO^-

cyanate

nco-

673

SCN

thiocyanato radical

scn

674

SCN^-

thiocyanide anion

scn-

675

BO₂

Boron dioxide

bo2

676

BO₂^-

Boron dioxide anion

bo2-

677

BO₂⁺

Boron dioxide cation

bo2+

678

N₂O⁺

Nitrous oxide cation

n2o+

679

NNS

Nitrogen sulfide

nns

680

PPO

Phosphorus oxide phosphide

ppo

681

CO₂

Carbon dioxide

co2

682

CO₂^-

Carbon dioxide anion

co2-

683

CO₂⁺

Carbon dioxide cation

co2+

684

OCS⁺

Carbonyl sulfide cation

cos+

685

SiO₂

silicon dioxide

sio2

686

CS₂

Carbon disulfide

cs2

687

CS₂^-

Carbon disulfide anion

cs2-

688

CS₂⁺

Carbon disulfide cation

cs2+

689

TiO₂

Titanium dioxide

tio2

690

GeO₂

Germanium dioxide

geo2

691

OCSe

Carbonyl selenide

ocse

692

SCSe

Carbon sulfide selenide

scse

693

GeS₂

Germanium disulfide

ges2

694

CSe₂

Carbon diselenide

cse2

695

SCTe

Carbon sulfide Telluride

scte

696

NO₂^-

Nitrogen dioxide anion

no2-

697

NSO

sulfinyl amidogen

NSO

698

PO₂

Phosphorus dioxide

po2

699

PO₂^-

Phosphorus dioxide anion

po2-

700

PO₂⁺

Phosphorus dioxide cation

po2+

701

SNO

Nitrogen oxide sulfide

sno

702

AsO₂

Aresenic dioxide

aso2

703

O₃^-

Ozone anion

o3-

704

O₃⁺

Ozone cation

o3+

705

SO₂

Sulfur dioxide

so2

706

SO₂^-

Sulfur dioxide anion

so2-

707

SO₂⁺

Sulfur dioxide cation

so2+

708

SSO

Disulfur monoxide

sso

709

S₃^-

Sulfur trimer anion

s3-

710

SeO₂

Selenium dioxide

seo2

711

SeO₂⁺

Selenium dioxide cation

seo2+

712

TeO₂

Tellurium Dioxide

teo2

713

HCCO

ketenyl radical

ketenyl

714

CS₂H⁺

Carbon disulfide, protonated

cs2h+

715

HNCO

Isocyanic acid

hnco

716

HOCN

cyanic acid

hocn

717

HSCN

thiocyanic acid

hscn

718

HCO₂^-

formate anion

hco2-

719

HNNO

nitrosoazane

hnno

720

HCOO

formate neutral radical

hcoo

721

HOCO

Hydrocarboxyl radical

hoco

722

HOCO⁺

Hydrocarboxyl cation

hoco+

723

HNO₂

Nitrous acid

hno2

724

HNO₂⁺

nitrous acid cation

hno2+

725

SO₂H⁺

protonated sulfur dioxide

so2h+

726

C₂H₂O

Oxirene

oxirene

727

CH₂CO

Ketene

ch2co

728

CH₂CO⁺

Ketene cation

ch2co+

729

HCCOH

ethynol

hccoh

730

CH₂CS

Thioketene

ch2cs

731

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

732

NH₂NO

Nitrosamide

nh2no

733

CH₂O₂

Dioxirane

diox

734

H₂O₃

Hydrogen trioxide

h2o3

735

HSSSH

trisulfane

hsssh

736

NaOCH₃

Sodium methoxide

naoch3

737

CH₂CHO

Vinyloxy radical

ch2cho

738

CH₂COH⁺

ketene, protonated

ch2coh+

739

CH₃CO

Acetyl radical

ch3co

740

CH₃CO^-

Acetyl anion

ch3co-

741

CH₃CO⁺

acetyl cation

ch3co+

742

CH₂NOH

formaldoxime

ch2noh

743

CHONH₂

formamide

744

CNOH₃

1,2-oxaziridine

cnoh3

745

HOCHNH

hydroxymethylimine

hochnh

746

CHSNH₂

thioformamide

chsnh2

747

NHCHSH

Methanimidothioic acid

nhchsh

748

CH₂OOH

CH2OOH radical

ch2ooh

749

CH₃OO

methylperoxy radical

ch3oo

750

CH₃OO^-

methylperoxy anion

ch3oo-

751

CH₃OO⁺

methylperoxy cation

ch3oo+

752

C₂H₄O

Ethylene oxide

c2h4o

753

C₂H₄O⁺

ethylene oxide cation

c2h4o+

754

CH₂CHOH

ethenol

ch2choh

755

CH₃CHO

Acetaldehyde

ch3cho

756

CH₃CHO⁺

acetaldehyde cation

ch3cho+

757

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

h2coch2+

758

C₂H₄S

Thiirane

thiirane

759

CH₂CHSH

Ethenethiol

ch2chsh

760

CH₃CHS

Thioacetaldehyde

ch3chs

761

H₂CONH₂⁺

protonated formamide

h2conh2+

762

NH₂CHOH⁺

Formamide, O-protonated

nh2choh+

763

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

764

CH₂(OH)₂

methanediol

ch2o2h2

765

CH₃OOH

Methyl peroxide

ch3ooh

766

CH₃SSH

Hydrogen methyl disulfide

ch3ssh

767

HSCH₂SH

Methanedithiol

ch4s2

768

H₂OH₂CO

water formaldehyde dimer

h2oh2co

769

C₂H₄OH⁺

ethylene oxide, protonated

c2h4oh+

770

CH₂CH₂OH

2-hydroxy ethyl radical

ch2ch2oh

771

CH₃CH₂O

Ethoxy radical

ethoxy

772

CH₃CHOH

1-hydroxy-ethyl radical

ch3choh

773

CH₃CHOH⁺

acetaldehyde, protonated

ch3choh+

774

CH₃OCH₂

methoxymethyl radical

ch3och2

775

NH₂CH₂OH

aminomethanol

nh2ch2oh

776

CH₃CH₂OH

Ethanol

etoh

777

CH₃OCH₃

Dimethyl ether

meome

778

CH₃CH₂SH

ethanethiol

etsh

779

CH₃SCH₃

Dimethyl sulfide

mesme

780

CH₃SCH₃⁺

dimethyl sulfide cation

mesme+

781

CH₃SeCH₃

dimethylselenide

dmse

782

CH₃OHH₂O

methanol water dimer

ch3ohh2o

783

H₂OCH₃OH

water methanol dimer

h2och3oh

784

ZnF₂

Zinc difluoride

znf2

785

FCN

Cyanogen fluoride

fcn

786

ClCN

chlorocyanogen

clcn

787

BrCN

Cyanogen bromide

brcn

788

ICN

Cyanogen iodide

icn

789

FBO

Boron monofluoride monoxide

fbo

790

BeF₂

Beryllium fluoride

bef2

791

MgF₂

Magnesium fluoride

mgf2

792

BeCl₂

Beryllium chloride

becl2

793

MgCl₂

Magnesium dichloride

mgcl2

794

CaCl₂

Calcium Chloride

cacl2

795

ZnCl₂

Zinc dichloride

zncl2

796

BeBr₂

Beryllium bromide

bebr2

797

CaBr₂

Calcium dibromide

cabr2

798

CaF₂

Calcium difluoride

caf2

799

BF₂

Boron difluoride radical

bf2

800

FNO

Nitrosyl fluoride

fno

801

ClNO

Nitrosyl chloride

clno

802

FNS

Thionitrosyl fluoride

fns

803

OPCl

Phosphorus oxychloride

opcl

804

BrNO

Nitrosyl bromide

brno

805

INO

Nitrosyl iodide

ino

806

CF₂^-

Difluoromethylene anion

cf2-

807

CF₂⁺

Difluoromethylene cation

cf2+

808

SiF₂

Silicon difluoride

sif2

809

SiF₂⁺

Silicon difluoride cation

sif2+

810

CCl₂

dichloromethylene

ccl2

811

CCl₂^-

dichloromethylene anion

ccl2-

812

CCl₂⁺

dichloromethylene cation

ccl2+

813

SiCl₂

Dichlorosilylene

sicl2

814

GeF₂

Germanium difluoride

gef2

815

GeCl₂

Germanium dichloride

gecl2

816

CBr₂

dibromomethylene

cbr2

817

FOO

Dioxygen monofluoride radical

foo

818

FOO⁺

Fluorine dioxide cation

foo+

819

ClOO

chloroperoxy radical

cloo

820

ClOO⁺

chloroperoxy cation

cloo+

821

OClO

Chlorine dioxide

oclo

822

OClO⁺

Chlorine dioxide cation

oclo+

823

ClSO

Sulfur chloride oxide

clso

824

ClS₂

Sulfur chloride

cls2

825

BrOO

Bromine dioxide

broo

826

OBrO

Bromine dioxide radical

obro

827

NF₂

Difluoroamino radical

nf2

828

NF₂⁺

Difluoroamino cation

nf2+

829

PF₂

Phosphorus difluoride

pf2

830

PF₂⁺

Phosphorus difluoride cation

pf2+

831

FClO

chlorosyl fluoride

fclo

832

F₂O

Difluorine monoxide

f2o

833

ClOF

Chlorine hypofluorite

clof

834

SF₂

sulfur difluoride

sf2

835

SF₂^-

sulfur difluoride anion

sf2-

836

SF₂⁺

sulfur difluoride cation

sf2+

837

Cl₂O

Dichlorine monoxide

cl2o

838

SCl₂

Sulfur dichloride

scl2

839

SeF₂

Selenium difluoride

sef2

840

BrOCl

Bromine hypochlorite

brocl

841

SeCl₂

Selenium Dichloride

secl2

842

SBr₂

Sulfur dibromide

sbr2

843

SeBr₂

Selenium dibromide

sebr2

844

BrOBr

Bromine oxide

brobr

845

F₃^-

trifluoride anion

f3-

846

Cl₃^-

trichloride anion

cl3-

847

Br₃^-

tribromide anion

br3-

848

I₃^-

triiodide

i3-

849

SFCl

Sulfur chloride fluoride

sfcl

850

HCCF

Fluoroacetylene

hccf

851

HCCF⁺

fluoroacetylene cation

hccf+

852

HCCCl

Chloroacetylene

hcccl

853

HCCBr

bromoacetylene

hccbr

854

HFCO

formyl fluoride

hfco

855

COHCl

Formyl chloride

cohcl

856

COHBr

Formyl bromide

cohbr

857

BHF₂

Difluoroborane

bhf2

858

BHCl₂

Borane, dichloro-

bhcl2

859

CHCl₂

dichloromethyl radical

chcl2

860

CHF₂

difluoromethyl radical

chf2

861

CHF₂⁺

difluoromethyl cation

chf2+

862

CHFCl

Chlorofluoromethyl radical

chfcl

863

CHFCl⁺

Chlorofluoromethyl cation

chfcl+

864

CHCl₂⁺

dichloromethyl cation

chcl2+

865

CHBr₂

dibromomethyl radical

chbr2

866

HOClO

Chlorous acid

hoclo

867

NHF₂

difluoramine

nhf2

868

NHCl₂

dichloroamine

nhcl2

869

CH₂F₂

Methane, difluoro-

ch2f2

870

CH₂FCl

fluorochloromethane

ch2fcl

871

SiH₂F₂

difluorosilane

sih2f2

872

CH₂Cl₂

Methylene chloride

ch2cl2

873

CH₂BrF

Methane, bromofluoro-

ch2fbr

874

CH₂BrCl

Methane, bromochloro-

ch2clbr

875

CH₂FI

fluoroiodomethane

ch2fi

876

CH₂Br₂

dibromomethane

ch2br2

877

CH₂ClI

chloroiodomethane

ch2cli

878

CH₂BrI

bromoiodomethane

ch2bri

879

CH₂I₂

Diiodomethane

ch2i2

880

SiH₂Cl₂

dichlorosilane

sih2cl2

881

CH₃MgBr

Methyl Magnesium Bromide

ch3mgbr

882

CH₂CHF

Ethene, fluoro-

ch2chf

883

CH₂CHF⁺

fluoroethene cation

ch2chf+

884

C₂H₃Cl

Ethene, chloro-

ch2chcl

885

C₂H₃Br

vinyl bromide

c2h3br

886

C₂H₃I

Vinyl iodide

c2h3i

887

CH₂FOH

fluoromethanol

ch2foh

888

CH₃OCl

methyl hypochlorite

ch3ocl

889

CH₂CH₂Cl

2-chloroethyl radical

ch2ch2cl

890

CHClCH₃

1-chloroethyl radical

chclch3

891

C₂H₅F

fluoroethane

c2h5f

892

CH₃CH₂Cl

Ethyl chloride

c2h5cl

893

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

894

C₂H₅Br

Ethyl bromide

etbr

895

C₂H₅I

Ethyl iodide

c2h5i

896

KrF₂

Krypton difluoride

krf2

897

XeF₂

Xenon difluoride

xef2

898

B₄H₁₀

Tetraborane(10)

b4h10

899

C₄

Carbon tetramer

900

C₄⁺

Carbon tetramer cation

c4+

901

C₄H₂⁺

diacetlyene cation

c4h2+

902

C₂H₃CCH

1-Buten-3-yne

c2h3cch

903

C₄H₄

cyclobutadiene

cbd

904

C₄H₄

Tetrahedrane

c4h4

905

H₂CCCCH₂

Butatriene

h2cccch2

906

C₄H₆

1-Methylcyclopropene

c3100047

907

C₄H₆

Cyclobutene

c822355

908

C₄H₆

Methylenecyclopropane

c6142730

909

CH₂CCHCH₃

1,2-Butadiene

butad12

910

CH₂CHCHCH₂

1,3-Butadiene

c106990

911

CH₃CCCH₃

2-Butyne

c503173

912

CHCCH₂CH₃

1-Butyne

c107006

913

CH₃CHCHCH₂

methylallyl radical

c4h7

914

C₄H₈

methylcyclopropane

mcp

915

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

916

CH₂CHCH₂CH₃

1-Butene

bute1

917

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

918

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

919

B(CH₃)₃

trimethylborane

bme3

920

Al(CH₃)₃

trimethyl aluminum

tma

921

C(CH₃)₃

Tert-butyl radical

tbutyl

922

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

923

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

924

CH₃CH(CH₃)CH₃

Isobutane

isobutane

925

CH₃CH₂CH₂CH₃

Butane

butane

926

SiH(CH₃)₃

trimethylsilane

trimsi

927

C₂N₂⁺

Cyanogen cation

c2n2+

928

P₄

Phosphorus tetramer

929

As₄

Arsenic tetramer

as4

930

HCCCN

Cyanoacetylene

hcccn

931

HCCCN⁺

Cyanoacetylene cation

hcccn+

932

H₂CNCN

cyanamide, methylene

ch2ncn

933

HNCCNH

Ethenediimine

hnccnh

934

C₃H₃N

acrylonitrile

ch2chcn

935

C₃H₃N⁺

acrylonitrile cation

ch2chcn+

936

CH₃N₃

methyl azide

ch3n3

937

NH₂CCNH₂

Diaminoacetylene

daa

938

NH₂CH₂CN

Aminoacetonitrile

aan

939

CH₃NHN₂⁺

methyl azide, protonated

ch3nhn2+

940

C₂H₅CN

ethyl cyanide

c2h5cn

941

CH₅N₃

Guanidine

guanidine

942

C₄H₆

Bicyclo[1.1.0]butane

c157335

943

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

944

H₂NCHCHNH₂

diaminoethylene

dae

945

CH₆N₃⁺

guanidinium

ch6n3+

946

C₃H₇N

Cyclopropylamine

cpram

947

CH₇N₃

triaminomethane

tam

948

C₃H₇N

Azetidine

azet

949

C₂H₈N₂

Ethylenediamine

ethdiam

950

CH₃NHNHCH₃

dimethyl hydrazine

dmh

951

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

952

N(CH₃)₃

Trimethylamine

trimeam

953

NH₂CH₂CH₂CH₃

1-Propanamine

pram1

954

N(SiH₃)₃

trisilylamine

tsa

955

As(CH₃)₃

trimethyl arsine

tmas

956

(CH₃)₃NH⁺

protonated trimethyl amine

ptma

957

C₃H₇NH₃⁺

n-propylamine, protonated

c3h7nh2

958

Li₂O₂

dilithium dioxide

li2o2

959

Na₂O₂

disodium dioxide

na2o2

960

K₂O₂

dipotassium dioxide

k2o2

961

B₂O₂

Diboron dioxide

b2o2

962

S₂N₂

Disulfur dinitride

s2n2

963

CO₃

Carbon trioxide

co3

964

CO₃^--

carbonate

co3--

965

CS₃^--

Carbonotrithioate

cs3--

966

NO₃

Nitrogen trioxide

no3

967

NO₃^-

nitrate anion

no3-

968

NO₃⁺

nitrogen trioxide cation

no3+

969

SO₃

Sulfur trioxide

so3

970

SO₃^-

Sulfur trioxide anion

so3-

971

SO₃^--

Sulfate dianion

so3--

972

SO₃⁺

Sulfur trioxide cation

so3+

973

SeO₃

selenium trioxide

seo3

974

S₄

Sulfur tetramer

975

TeO₃

Tellurium trioxide

teo3

976

HCO₃^-

bicarbonate anion

hco3-

977

HNO₃

Nitric acid

hno3

978

HSO₃

Hydroxysulfonyl radical

hso3

979

NH₂NO₂

nitramide

nh2no2

980

C₂H₂CO

cyclopropenone

c2h2co

981

C₃H₂O

Propadienal

c3h2o

982

HCCCHO

2-propynal

hcccho

983

C₂H₂O₂

Ethanedial

c2h2o2

984

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

985

H₂CO₃

Carbonic acid

h2co3

986

H₂CS₃

thiocarbonic acid

h2cs3

987

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

988

H₂SO₃

Sulfurous acid

h2so3

989

C₂H₃NO

Nitrosoethylene

c2h3no

990

CH₃NCO

methylisocyante

ch3nco

991

HOCH₂CN

cyanomethanol

hoch2cn

992

CH₃COO^-

acetate anion

ch3coo-

993

CH₃NO₂

Methane, nitro-

ch3no2

994

CH₃ONO

Methyl nitrite

ch3ono

995

H₃BO₃

Boric acid

h3bo3

996

H₃AlO₃

Aluminum hydroxide

h3alo3

997

H₃CO₃⁺

carbonic acid, protonated

h3co3+

998

C₃H₄O

2-Propyn-1-ol

c107197

999

C₃H₄O

allenol

c9000071

1000

C₃H₄O

Cyclopropanone

cpone

1001

C₃H₄O

Methylketene

c6004440

1002

CH₂CHCHO

Acrolein

c3h4o

1003

NH₂CONH₂⁺

Urea cation

urea+

1004

NH₂CSNH₂

Thiourea

thiourea

1005

C₂H₄O₂

1,3-dioxetane

c2h4o2

1006

CH₃COOH

Acetic acid

ch3cooh

1007

CH₃OCHO

methyl formate

ch3ocho

1008

CHOCH₂OH

hydroxy acetaldehyde

haa

1009

NH₃COOH⁺

protonated Carbamic acid

nh3cooh+

1010

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

1011

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

1012

HCOOHH₂O

Formic acid water dimer

hcoohh2o

1013

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

1014

CH₃COCH₂

Acetonyl radical

ch3coch2

1015

CH₂C(OH)NH₂

1-amino vinyl alchohol

ava

1016

CH₃C(OH)=NH

Ethaninidic acid

eia

1017

CH₃CHNOH

Acetaldoxime

acetaldoxime

1018

CH₃CONH₂

Acetamide

acetamide

1019

HCONHCH₃

N-methylformamide

nmfa

1020

CH₃CSNH₂

Ethanethioamide

ch3csnh2

1021

CH₅N₂O⁺

urea, N-protonated

ch4n2o+

1022

H₂NCOHNH₂⁺

urea, protonated

ureah+

1023

C₂H₅OO

ethylperoxy radical

c2h5oo

1024

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

1025

C₃H₅OH

Cyclopropanol

cproh

1026

C₃H₆O

2-Propen-1-ol

c107186

1027

C₃H₆O

Acetone enol

enol

1028

C₃H₆O

Propylene oxide

prox

1029

CH₃CH₂CHO

Propanal

propanal

1030

CH₃COCH₃

Acetone

acetone

1031

CH₃COCH₃^-

acetone anion

ch3coch3-

1032

C₃H₆S

Thietane

thietane

1033

C₃H₆S

Thiirane, methyl-

methiirane

1034

CH₃CSCH₃

Thioacetone

ch3csch3

1035

C₂H₆O₂

1,2-Ethanediol

ethdiol

1036

CH₃OOCH₃

dimethylperoxide

dmp

1037

CH₃SOCH₃

Dimethyl sulfoxide

dmso

1038

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

1039

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

1040

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

1041

HOCH₂CH₂NH₂

monoethanolamine

mea

1042

C₃H₇OH

1-Propanol

proh

1043

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

1044

CH₃OC₂H₅

Ethane, methoxy-

etome

1045

C₃H₇SH

1-Propanethiol

prsh

1046

CH₃CHSHCH₃

2-Propanethiol

isoprsh

1047

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

1048

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

1049

Li₂F₂

Lithium fluoride dimer

li2f2

1050

Na₂F₂

Sodium Fluoride Dimer

na2f2

1051

Na₂Cl₂

Disodium dichloride

na2cl2

1052

C₂F₂

difluoroacetylene

c2f2

1053

C₂Cl₂

dichloroacetylene

c2cl2

1054

C₂Cl₂⁺

dichloroacetylene cation

c2cl2+

1055

FNO₂

Nitryl fluoride

fno2

1056

FONO

Nitrosyl hypofluorite

fono

1057

ClNO₂

Nitryl chloride

clno2

1058

ClONO

chlorine nitrite

clono

1059

BrONO

Bromine nitrite

brono

1060

N₂F₂

(Z)-Difluorodiazene

n2f2_z

1061

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

1062

CF₂O

Carbonic difluoride

f2co

1063

CF₂O⁺

Carbonic difluoride cation

f2co+

1064

COFCl

Carbonic chloride fluoride

cofcl

1065

CCl₂O

Phosgene

cl2co

1066

Cl₂CS

Thiophosgene

cl2cs

1067

COBr₂

Carbonic dibromide

cobr2

1068

BF₃

Borane, trifluoro-

bf3

1069

BF₃^-

Borane, trifluoro- anion

bf3-

1070

BF₃⁺

boron trifluoride cation

bf3+

1071

AlF₃

Aluminum trifluoride

alf3

1072

BClF₂

Chlorodifluoroborane

bclf2

1073

AlF₂Cl

Aluminum chloride difluoride

alclf2

1074

ScF₃

Scandium trifluoride

ScF3

1075

AlFCl₂

Aluminum dichloride fluoride

alcl2f

1076

BCl₃

Borane, trichloro-

bcl3

1077

BCl₃⁺

Boron Trichloride cation

bcl3+

1078

GaF₃

Gallium trifluoride

gaf3

1079

AlCl₃

Aluminum trichloride

alcl3

1080

GaCl₃

Gallium trichloride

gacl3

1081

BBr₃

Boron tribromide

bbr3

1082

AlBr₃

Aluminum Bromide

albr3

1083

ClO₃

Chlorine trioxide

clo3

1084

ClO₃^-

chlorate anion

clo3-

1085

BrO₃^-

Bromate anion

bro3-

1086

CF₃

Trifluoromethyl radical

cf3

1087

CF₃^-

Trifluoromethyl anion

cf3-

1088

CF₃⁺

Trifluoromethyl cation

cf3+

1089

CF₂Cl

difluorochloromethyl radical

cf2cl

1090

SiF₃

Silicon trifluoride radical

sif3

1091

SiF₃⁺

Silicon trifluoride cation

sif3+

1092

CFCl₂

dichlorofluoromethyl radical

cfcl2

1093

CCl₃

Trichloromethyl radical

ccl3

1094

CCl₃^-

Trichloromethyl anion

ccl3-

1095

CCl₃⁺

Trichloromethyl cation

ccl3+

1096

SiCl₃

trichlorosilyl radical

sicl3

1097

SiCl₃⁺

trichlorosilyl cation

sicl3+

1098

CBr₃

tribromomethyl radical

cbr3

1099

FOOF

Perfluoroperoxide

foof

1100

ClO₂F

Chloryl fluoride

clo2f

1101

F₂SO

Thionyl Fluoride

f2so

1102

ClOOCl

Dichlorine dioxide

cloocl

1103

FSSF

Difluorodisulfane

fssf

1104

S₂F₂

Thio-thionyl fluoride

s2f2

1105

SOCl₂

thionyl chloride

socl2

1106

SSCl₂

Thiothionyl chloride

sscl2

1107

SeOCl₂

selenium oxychloride

seocl2

1108

NF₃

Nitrogen trifluoride

nf3

1109

NF₃^-

Nitrogen trifluoride anion

nf3-

1110

NF₃⁺

Nitrogen trifluoride cation

nf3+

1111

PF₃

Phosphorus trifluoride

pf3

1112

NCl₃

nitrogen trichloride

ncl3

1113

AsF₃

Arsenic trifluoride

asf3

1114

PCl₃

Phosphorus trichloride

pcl3

1115

SbF₃

Antimony Trifluoride

sbf3

1116

AsCl₃

Arsenous trichloride

ascl3

1117

SbCl₃

Antimony Trichloride

sbcl3

1118

PBr₃

Phosphorus tribromide

pbr3

1119

AsBr₃

Arsenic tribromide

asbr3

1120

NI₃

Nitrogen triiodide

ni3

1121

PI₃

Phosphorus triiodide

pi3

1122

ClSSCl

Disulfur dichloride

s2cl2

1123

SF₃

Sulfur trifluoride

sf3

1124

ClF₃

Chlorine trifluoride

clf3

1125

BrF₃

Bromine trifluoride

brf3

1126

IF₃

iodone trifluoride

if3

1127

HClO₃

Chloric Acid

hclo3

1128

CHF₃

Methane, trifluoro-

chf3

1129

CHF₂Cl

difluorochloromethane

chf2cl

1130

SiHF₃

trifluorosilane

sihf3

1131

CHFCl₂

fluorodichloromethane

chfcl2

1132

CDCl₃

trichloromethane-d

cdcl3

1133

CHCl₃

Chloroform

chcl3

1134

CHBrF₂

Methane, bromodifluoro-

chbrf2

1135

SiHCl₃

Trichlorosilane

sihcl3

1136

CHFClBr

fluorochlorobromomethane

chfclbr

1137

CHBrCl₂

Methane, bromodichloro-

chbrcl2

1138

CHF₂I

difluoroiodomethane

chf2i

1139

CHBr₂F

dibromofluoromethane

chbr2f

1140

CHFClI

fluorochloroiodomethane

chfcli

1141

CHCl₂I

dichloroiodomethane

chcl2i

1142

CHClBr₂

Methane, dibromochloro-

chclbr2

1143

CHBr₃

bromoform

chbr3

1144

CHI₃

Iodoform

chi3

1145

NF₃H⁺

protonated nitrogen trifluoride

nf3h+

1146

AsF₃H⁺

Arsenic trifluoride, protonated

asf3h+

1147

C₂H₂F₂

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

c2h2f2e

1148

C₂H₂F₂

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

c2h2f2z

1149

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

1150

C₂H₂ClF

1-chloro-1-fluoroethylene

c2h2clf

1151

CHFCHCl

(E)-1-chloro-2-fluoroethene

chfchcle

1152

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

chfchclz

1153

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

1154

CHClCHCl

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

chclchcle

1155

CHClCHCl

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

chclchclz

1156

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

1157

CHBrCHBr

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

chbrchbre

1158

CHBrCHBr

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

chbrchbrz

1159

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

1160

CH₃COF

Acetyl fluoride

ch3cof

1161

CH₂ClCHO

chloroacetaldehyde

ch2clcho

1162

CH₃COCl

Acetyl Chloride

ch3cocl

1163

C₂H₄F₂

1,2-difluoroethane

c2h4f2

1164

CH₃CHF₂

Ethane, 1,1-difluoro-

ch3chf2

1165

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

ch2fch2cl

1166

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

1167

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

1168

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

1169

CH₂BrCH₂Cl

1-bromo-2-chloroethane

ch2brch2cl

1170

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

ch2brch2br

1171

CH₂CFCH₃

2-fluoropropene

2fpro

1172

CH₂CHCH₂F

Allyl Fluoride

allylf

1173

CH₃CHCHF

trans-1-Fluoro-1-propene

propene1ft

1174

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

1175

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

1176

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

1177

CH₂FCH₂OH

2-fluoroethanol

ch2fch2oh

1178

CH₂ClCH₂OH

2-Chloroethanol

ch2clch2oh

1179

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

ch2clch2oh2+

1180

CH₂FCH₂CH₃

1-Fluoropropane

prf1

1181

CH₃CHFCH₃

2-Fluoropropane

prf2

1182

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

1183

CH₃CHClCH₃

Propane, 2-chloro-

prcl2

1184

CH₃CH₂CH₂Br

n-propyl bromide

prbr

1185

CH₃CHBrCH₃

i-propyl bromide

iprbr

1186

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

1187

B₅H₉

pentaborane9

b5h9

1188

C₅H₄

pentatetraene

ptrene

1189

C₅H₅

cyclopentadienyl radical

c5h5

1190

C₅H₅^-

cylopentadienyl anion

c5h5-

1191

C₅H₆

1,3-Cyclopentadiene

c542927

1192

C₅H₆

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

c78808

1193

C₅H₆

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

c2004695

1194

C₅H₆

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

c1574409

1195

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

1196

C₅H₆

Cyclopropylacetylene

c6746947

1197

C₅H₆

Propellane

propellane

1198

C₅H₇

1,3-pentadienyl radical

pdyl

1199

C₅H₇

cyclopentenyl radical

cpyl

1200

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

1201

C₅H₈

1,2-Pentadiene

c591957

1202

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

1203

C₅H₈

1,3-Pentadiene, (E)-

c2004708

1204

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

1205

C₅H₈

1,4-Pentadiene

c591935

1206

C₅H₈

1-pentyne

a1pentyne

1207

C₅H₈

2,3-Pentadiene

c591968

1208

C₅H₈

Bicyclo[1.1.1]pentane

bcp

1209

C₅H₈

Cyclobutane, methylene-

c1120565

1210

C₅H₈

Cyclopentene

c142290

1211

C₅H₈

Ethenylcyclopropane

c693867

1212

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

1213

C₅H₁₀

1-Butene, 2-methyl-

c563462

1214

C₅H₁₀

2-Butene, 2-methyl-

c513359

1215

C₅H₁₀

2-Pentene, (E)-

c646048

1216

C₅H₁₀

2-Pentene, (Z)-

c627203

1217

C₅H₁₀

Cyclopentane

c287923

1218

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

1219

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

1220

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

1221

C₅H₁₂

Butane, 2-methyl-

buta2

1222

C₅H₁₂

Pentane

pentane

1223

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

1224

Si(CH₃)₄

tetramethylsilane

tms

1225

N₂O₃

Dinitrogen trioxide

n2o3

1226

C₃H₂N₂

Malononitrile

c3h2n2

1227

CH₂N₄

1H-Tetrazole

1htz

1228

C₃H₃N₂

imidazolyl radical

1229

C₃H₃N₂^-

imidizolyl anion

im-

1230

C₂H₃N₃

1H-1,2,4-Triazole

c288880

1231

C₄H₄N

pyrrolide radical

c4h4n

1232

C₄H₄N^-

pyrrolide anion

c4h4n-

1233

C₃H₄N₂

1H-Imidazole

1himidaz

1234

C₃H₄N₂

1H-Pyrazole

1hpyraz

1235

C₃H₄N₂

2H-Imidazole

imid2h

1236

C₃H₄N₂

4H-Imidazole

imid4h

1237

C₄H₅N

(E)-2-Butenenitrile

c627269

1238

C₄H₅N

(Z)-2-Butenenitrile

c1190767

1239

C₄H₅N

2H-pyrrole

pyrrole2

1240

C₄H₅N

3H-pyrrole

pyrrole3

1241

C₄H₅N

Cyclopropanecarbonitrile

c5500210

1242

C₄H₅N

Pyrrole

pyrrole

1243

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

1244

C₄H₆N⁺

pyrrole, alpha-protonated

appyr

1245

C₄H₆N⁺

pyrrole, protonated

ppyr

1246

C₃H₆N₂

3-Aminopropionitrile

c151188

1247

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

1248

CH₃CH₂CH₂CN

Butanenitrile

c109740

1249

C₅H₈

Bicyclo[2.1.0]pentane

c185944

1250

C₅H₈

Spiropentane

c157404

1251

C₄H₉N

Cyclobutylamine

cbam

1252

C₄H₉N

Pyrrolidine

pyrrolidine

1253

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

1254

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

1255

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1256

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1257

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1258

NH(C₂H₅)₂

diethylamine

dea

1259

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1260

C₃O₂

Carbon suboxide

c3o2

1261

C₃O₂⁺

Carbon suboxide cation

c3o2+

1262

B₂O₃

diboron trioxide

b2o3

1263

MgCO₃

Magnesium Carbonate

mgco3

1264

BeCO₃

Beryllium Carbonate

beco3

1265

CaCO₃

Calcium Carbonate

caco3

1266

ONONO

Nitrosyl nitrite

onono

1267

PO₄^---

phosphate

po4---

1268

SO₄^--

sulfate

so4--

1269

HOONO₂

peroxy nitric acid

hoono2

1270

HSO₄^-

bisulfate anion

hso4-

1271

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1272

C₃H₂O₂

Propiolic acid

c3h2o2

1273

CHOCOOH

oxo acetic acid

oaa

1274

CHOOCHO

diformyl ether

choocho

1275

H₂SO₄

Sulfuric acid

h2so4

1276

H₂SeO₄

Selenic acid

h2seo4

1277

C₃H₃NO

Isoxazole

isox

1278

C₃H₃NO

Oxazole

oxazole

1279

C₃H₃NS

Thiazole

thiazole

1280

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1281

CH₃NO₃

Methyl nitrate

ch3no3

1282

H₃PO₄

Phosphoric Acid

h3po4

1283

C₄H₄O

Furan

furan

1284

C₄H₄O⁺

Furan cation

furan+

1285

CH₃COCCH

3-butyn-2-one

c1423605

1286

C₄H₄S

Thiophene

furans

1287

C₄H₄Se

selenophene

c4h4se

1288

C₃H₄O₂

β–Propiolactone

beta

1289

C₃H₄O₂

2-Propenoic acid

propenoic2

1290

C₃H₄O₂

Methyl glyoxal

megly

1291

C₃H₄O₂

propanedial

1292

C₃H₄O₂

propenalol

1293

HOCHCCHOH

allenediol

aldiol

1294

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1295

C₂H₄O₃

trioxolane124

triox

1296

HOCH₂COOH

Hydroxyacetic acid

hac

1297

CH₂CHCONH₂

Acrylamide

c79061

1298

CH₃OCH₂CN

Methoxyacetonitrile

c1738369

1299

CH₅N₃S

Hydrazinecarbothioamide

c79196

1300

H₂NCH₂COOH

Glycine

glycine

1301

CH₃SO₂NH₂

methanesulfonamide

ch3so2nh2

1302

C₄H₆O

cis-2-butenal

butenal2c

1303

C₄H₆O

Cyclobutanone

cbutone

1304

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1305

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1306

CH₂CHOCHCH₂

Vinyl ether

vinylether

1307

CHOCHCHCH₃

2-Butenal

butenal2

1308

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1309

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1310

CH₂CHSCHCH₂

Divinyl sulfide

divis

1311

C₂H₆N₂O

Urea, methyl-

c598505

1312

C₃H₆O₂

1,3-Dioxolane

dioxolane

1313

CH₃CH₂COOH

Propanoic Acid

propanoic

1314

CH₃COOCH₃

methyl acetate

aame

1315

HCOOC₂H₅

Ethyl formate

faee

1316

C₂H₆O₂S

Dimethyl sulfone

c67710

1317

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1318

C₃H₇NO

dimethylformamide

dmf

1319

C₃H₇NO

Propanamide

propanam

1320

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1321

C₄H₈O

Cyclobutanol

c2919235

1322

C₄H₈O

Furan, tetrahydro-

thf

1323

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1324

CH₃COCH₂CH₃

2-Butanone

buta2one

1325

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1326

CHOCH₂CH₂CH₃

Butanal

butanal

1327

C₄H₈S

Thiophene, tetrahydro-

tht

1328

C₃H₈O₂

1,3-Propanediol

c504632

1329

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1330

C₃H₈O₂

Methane, dimethoxy-

c109875

1331

C₃H₈O₂

Propylene glycol

c57556

1332

C₃H₈S₂

1,3-Propanedithiol

c109808

1333

C₄H₁₀O

1-Butanol

butanol1

1334

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1335

C₄H₁₀O

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

butanol2

1336

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1337

C₄H₁₀O

Ethoxy ethane

etoet

1338

C₄H₁₀O

Methyl propyl ether

meopr

1339

C₄H₁₀O

Propane, 2-methoxy-

c598538

1340

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1341

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

tbush

1342

C₂H₅SC₂H₅

Diethyl sulfide

etset

1343

C₄H₉SH

1-Butanethiol

bush

1344

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1345

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1346

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1347

FNO₃

Fluorine nitrate

fno3

1348

ClONO₂

Chlorine nitrate

clono2

1349

TiCl₄

Titanium tetrachloride

ticl4

1350

ClO₄^-

perchlorate anion

clo4-

1351

BF₄^-

tetrafluoroboron anion

bf4-

1352

ClFO₃

Perchloryl fluoride

clfo3

1353

SO₂F₂

Sulfuryl fluoride

so2f2

1354

SO₂Cl₂

Sulfuryl chloride

so2cl2

1355

F₃NO

Nitrogen trifluoride oxide

f3no

1356

F₃PO

Phosphoryl fluoride

pf3o

1357

Cl₃PO

Phosphoryl chloride

pcl3o

1358

CF₄

Carbon tetrafluoride

cf4

1359

CF₃Cl

Methane, chlorotrifluoro-

cf3cl

1360

SiF₄

Silicon tetrafluoride

sif4

1361

CF₂Cl₂

difluorodichloromethane

cf2cl2

1362

CFCl₃

Trichloromonofluoromethane

cfcl3

1363

CF₃Br

Bromotrifluoromethane

cf3br

1364

GeF₄

Germanium tetrafluoride

gef4

1365

CCl₄

Carbon tetrachloride

ccl4

1366

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1367

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

1368

SiCl₄

Silane, tetrachloro-

sicl4

1369

CBrCl₂F

bromodichlorofluoromethane

cbrcl2f

1370

CF₃I

trifluoroiodomethane

cf3i

1371

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1372

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1373

GeCl₄

Germanium Tetrachloride

gecl4

1374

CBr₂ClF

dibromochlorofluoromethane

cbr2clf

1375

CBr₂Cl₂

dibromodichloromethane

cbr2cl2

1376

CCl₃I

trichloroiodomethane

ccl3i

1377

CFBr₃

fluorotribromomethane

cfbr3

1378

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1379

CBr₃Cl

tribromochloromethane

cbr3cl

1380

CF₂I₂

difluorodiiodomethane

cf2i2

1381

CBr₄

Carbon tetrabromide

cbr4

1382

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1383

SiBr₄

Silicon tetrabromide

sibr4

1384

CBr₃I

tribromoiododmethane

cbr3i

1385

GeBr₄

Germanium tetrabromide

gebr4

1386

CI₄

tetraiodomethane

ci4

1387

SiI₄

silicon tetraiodide

sii4

1388

ClOF₃

Chlorine trifluoride oxide

clof3

1389

SF₄

Sulfur tetrafluoride

sf4

1390

SeF₄

Selenium tetrafluoride

sef4

1391

SCl₄

Sulfur tetrachloride

scl4

1392

C₂HF₃

Trifluoroethylene

c2hf3

1393

C₂HF₃⁺

Trifluoroethylene cation

c2hf3+

1394

CHClCCl₂

Trichloroethylene

chclccl2

1395

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1396

HClO₄

perchloric acid

hclo4

1397

HSO₃F

Fluorosulfonic acid

hso3f

1398

CF₃OH

trifluoromethanol

cf3oh

1399

CH₂ClCCCl

1,3-dichloropropyne

ch2clcccl

1400

CHClCCHCl

1,3-dichloroallene

chclcchcl

1401

CHCl₂CCH

3,3-dichloropropyne

chcl2cch

1402

CHCl₂CHO

dichloroacetaldehyde

chcl2cho

1403

PF₃CH₂

phosphorane, trifluoromethylene-

pf3ch2

1404

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1405

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

ch2fchf2

1406

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

1407

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1408

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1409

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1410

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1411

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1412

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1413

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1414

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

c4h5cl

1415

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1416

CH₂FCH₂CH₂F

1,3-difluoropropane

ch2fch2ch2f

1417

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1418

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1419

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1420

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

prdicl22

1421

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1422

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1423

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1424

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1425

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1426

CH₃CClCHCH₃

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

bute2cl2e

1427

CH₃CClCHCH₃

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

bute2cl2z

1428

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1429

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1430

C₄H₉F

1-fluorobutane

butaf1

1431

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1432

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1433

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1434

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1435

XeF₄

Xenon tetrafluoride

xef4

1436

C₂H₂N₂O

Furazan

furazan

1437

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1438

NH₃BF₃

Amminetrifluoroboron

nh3bf3

1439

C₆H₂

hexatriyne

c6h2

1440

C₆H₄

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

c6h4e

1441

C₆H₄

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

c6h4z

1442

C₆H₄

Benzyne

benzyne

1443

C₆H₅

phenyl

1444

C₆H₅^-

phenyl anion

phenyl-

1445

C₆H₆

Prismane

prismane

1446

C₆H₆

1,2,4,5-Hexatetraene

ht1245

1447

C₆H₆

2,4-Hexadiyne

hexadiyne

1448

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1449

C₆H₆

Benzene

benzene

1450

C₆H₆

Benzvalene

1451

C₆H₆

Dewar Benzene

dewar

1452

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

1453

C₆H₆

Trimethylenecycopropane

tmcp

1454

C₆H₆⁺

Benzene cation

c6h6+

1455

C₆H₇⁺

benzene, protonated

c6h7+

1456

C₆H₈

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

c821078

1457

C₆H₈

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

c59660650

1458

C₆H₈

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

hexatri135

1459

C₆H₈

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

hetr234c

1460

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1461

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1462

C₆H₈

3-Methylenecyclopentene

c930267

1463

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1464

C₆H₈

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

c30830207

1465

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1466

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1467

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1468

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1469

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1470

C₆H₁₀

1,5-Hexadiene

c592427

1471

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1472

C₆H₁₀

1-Hexyne

hexyne1

1473

C₆H₁₀

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

hexdi24ee

1474

C₆H₁₀

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

hexdi24ez

1475

C₆H₁₀

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

hexdi24zz

1476

C₆H₁₀

2-Hexyne

c764352

1477

C₆H₁₀

3-Hexyne

hexyne3

1478

C₆H₁₀

cyclohexene

1479

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1480

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1481

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1482

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1483

C₆H₁₂

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

dmcb12t

1484

C₆H₁₂

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

dmcb13t

1485

C₆H₁₂

(E)-2-Hexene

e2hexene

1486

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1487

C₆H₁₂

(E)-hex-3-ene

e3hexene

1488

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1489

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1490

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1491

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1492

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1493

C₆H₁₂

3-methylenepentane

c760214

1494

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1495

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1496

C₆H₁₂

Cyclohexane

cyclohexane

1497

C₆H₁₂

Cyclopentane, methyl-

c96377

1498

C₆H₁₂

Ethylcyclobutane

c4806615

1499

C₆H₁₂

hex-1-ene

hexene1

1500

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1501

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1502

C₆H₁₄

Hexane

hexane

1503

C₆H₁₄

Pentane, 2-methyl-

penta2

1504

C₆H₁₄

Pentane, 3-methyl-

penta3

1505

C₄N₂

2-Butynedinitrile

c4n2

1506

N₃P₃

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

n3p3

1507

C₄H₂N₂

Fumaronitrile

c4h2n2

1508

C₂H₂N₄

sym-tetrazine

ttz

1509

C₃H₃N₃

1,3,5-Triazine

triazine135

1510

CH₃N₅

5-Aminotetrazole

c4418615

1511

C₄H₄N₂

1,3-Diazine

diazine13

1512

C₄H₄N₂

Pyrazine

pyrazine

1513

C₄H₄N₂

Pyridazine

pyridazine

1514

C₄H₄N₂

Succinonitrile

c110612

1515

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1516

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1517

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1518

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1519

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1520

C₅H₅N

Pyridine

pyridine

1521

B₃N₃H₆

borazine

1522

C₆H₆

Fulvene

fulvene

1523

C₅H₆N⁺

Pyridinium

c5h6n

1524

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1525

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1526

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1527

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1528

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1529

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1530

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1531

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1532

C₅H₉N

Pentanenitrile

c110598

1533

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1534

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1535

C₅H₁₁N

Cyclopentanamine

cypentam

1536

C₅H₁₁N

Piperidine

piper

1537

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1538

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1539

Li₂CO₃

Lithium Carbonate

li2co3

1540

Na₂CO₃

Sodium Carbonate

na2co3

1541

C₂O₄^--

oxalate anion

c2o4

1542

MgSO₄

Magnesium Sulfate

mgso4

1543

N₂O₄

Dinitrogen tetroxide

n2o4

1544

C₃H₂O₃

vinylene carbonate

vica

1545

C₂H₂O₄

Oxalic Acid

oxalic

1546

C₂H₃NO₃

Oxamic acid

oxamic

1547

C₄H₄O₂

2(5H)-Furanone

furanone

1548

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1549

C₂H₄N₂O₂

Oxalamide

oxalamide

1550

C₂H₄N₂S₂

Ethanedithioamide

c79403

1551

C₂H₄CO₃

Ethylene carbonate

etco3

1552

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1553

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1554

C₂H₄O₄

Formic acid dimer

fadimer

1555

C₄H₅NO

3-Methylisoxazole

isox3m

1556

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1557

C₄H₅NS

4-Methylthiazole

c693958

1558

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1559

C₅H₆O

2H-Pyran

pyran2

1560

C₅H₆O

2-methylfuran

furan2m

1561

C₅H₆O

3-Methylfuran

furan3m

1562

C₅H₆O

Pentadienal

pdal

1563

C₅H₆S

Thiophene, 2-methyl-

c554143

1564

C₅H₆S

Thiophene, 3-methyl-

c616444

1565

C₄H₆O₂

γ–Butyrolactone

c96480

1566

C₄H₆O₂

2,3-Butanedione

c431038

1567

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1568

C₄H₆O₂

Crotonic Acid

crot

1569

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1570

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1571

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1572

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1573

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1574

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1575

C₄H₆OS

Vinyl sulfoxide

c1115157

1576

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1577

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1578

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1579

C₃H₆O₃

1,3,5-Trioxane

trioxane

1580

C₃H₆S₃

1,3,5-Trithiane

c3h6s3

1581

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1582

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1583

C₄H₇NO

2-Pyrrolidinone

c616455

1584

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1585

C₄H₇NO

Methacrylamide

c79390

1586

C₄H₇NO

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

c1120645

1587

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1588

C₃H₇ONO

Propyl nitrite

prono

1589

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1590

CH₃CH(NH₂)COOH

Alanine

alanine

1591

CH₃NHCH₂COOH

Sarcosine

sarcosine

1592

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1593

NH₂COOC₂H₅

Urethane

urethane

1594

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1595

C₅H₈O

Cyclopentanone

c120923

1596

C₅H₈O

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

c1487156

1597

C₅H₈O

Methyl cyclopropyl ketone

c765435

1598

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1599

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

1600

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1601

C₄H₈O₂

1,3-Dioxane

dioxan13

1602

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1603

C₄H₈O₂

1,4-Dioxane

dioxan14

1604

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1605

C₄H₈O₂

Ethyl acetate

c141786

1606

C₄H₈OS

s-Ethyl thioacetate

c625605

1607

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1608

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1609

C₄H₉NO

Butanamide

c541355

1610

C₄H₉NO

Propanamide, 2-methyl-

c563837

1611

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1612

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1613

C₅H₁₀O

2-methylbutyraldehyde

2meba

1614

C₅H₁₀O

2-Pentanone

mpk

1615

C₅H₁₀O

3-Pentanone

dek

1616

C₅H₁₀O

Cyclopentanol

c96413

1617

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1618

C₅H₁₀O

Pentanal

pal

1619

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1620

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1621

C₅H₁₀S

Cyclopentanethiol

c1679078

1622

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1623

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1624

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1625

C₄H₁₀O₂

1,3-Butanediol

budiol13

1626

C₄H₁₀O₂

1,4-Butanediol

budiol14

1627

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1628

C₄H₁₀OS

Diethyl sulfoxide

c70291

1629

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1630

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1631

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1632

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1633

C₅H₁₂O

1-Pentanol

pentanol1

1634

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1635

C₅H₁₂O

2-Pentanol

peol2

1636

C₅H₁₂O

3-Pentanol

pentan3ol

1637

C₅H₁₂O

Butane, 1-methoxy-

meobu

1638

C₅H₁₂O

Propane, 1-ethoxy-

proet

1639

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1640

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1641

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1642

C₅H₁₂S

1-Pentanethiol

c110667

1643

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1644

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1645

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1646

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1647

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1648

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1649

C₅H₁₂S

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

c6163640

1650

C₄F₂

difluorobutadiyne

c4f2

1651

ClCOClCO

Oxalyl chloride

oxcl

1652

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1653

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1654

B₂F₄

Diboron tetrafluoride

b2f4

1655

B₂Cl₄

Diboron tetrachloride

b2cl4

1656

C₂F₄

Tetrafluoroethylene

c2f4

1657

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1658

C₂ClF₃

Ethene, chlorotrifluoro-

c2f3cl

1659

CF₂CCl₂

difluorodichloroethylene

cf2ccl2

1660

CFClCClF

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

cfclcclf

1661

CFClCFCl

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

cfclcfcl

1662

C₂FCl₃

fluorotrichloroethene

c2fcl3

1663

C₂Cl₄

Tetrachloroethylene

c2cl4

1664

C₂Br₄

tetrabromoethene

c2br4

1665

CF₃OF

Trifluoromethylhypofluorite

cf3of

1666

SiF₅^-

silicon pentafluoride anion

sif5-

1667

SOF₄

Sulfur tetrafluoride oxide

sof4

1668

PF₅

Phosphorus pentafluoride

pf5

1669

AsF₅

Arsenic pentafluoride

asf5

1670

PCl₅

Phosphorus pentachloride

pcl5

1671

SF₅

Sulfur pentafluoride

sf5

1672

SF₅⁺

pentafluoro sulfur cation

sf5+

1673

SbCl₅

Antimony pentachloride

sbcl5

1674

BrF₅

bromine pentafluoride

brf5

1675

ClF₅

chlorinepentafluoride

clf5

1676

IF₅

pentafluoroiodine

if5

1677

CF₃CHO

trifluoroacetaldehyde

cf3cho

1678

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1679

CHFClCHClF

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

chfclchclf

1680

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1681

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1682

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1683

CHFClCHFCl

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

chfclchfcl

1684

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

ch2clccl3

1685

CHCl₂CHCl₂

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

chcl2chcl2

1686

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

c2h2br4

1687

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

1688

CF₃COOH

trifluoroacetic acid

cf3cooh

1689

C₄H₃ClO

Furan, 2-chloro

fur2cl

1690

C₄H₃ClO

Furan,3-chloro

fur3cl

1691

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1692

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1693

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1694

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1695

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1696

C₄H₈Cl₂

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

c2211678

1697

C₄H₈Cl₂

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

c4028562

1698

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1699

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1700

C₄H₈O₂

Butanoic acid

bua

1701

C₆H₅CH₂

benzyl radical

benzyl

1702

C₇H₇

cycloheptatrienyl radical

c7h7

1703

C₇H₇⁺

cycloheptatrienyl cation

c7h7+

1704

C₆H₅CH₃

toluene

1705

C₇H₈

cycloheptatriene

cht

1706

C₇H₈

Norbornadiene

norbor

1707

C₇H₈

Quadricyclane

qucy

1708

C₇H₁₂

Norbornane

nor

1709

C₇H₁₄

cycloheptane

c7h14

1710

C₇H₁₆

2-methylhexane

2mhex

1711

C₇H₁₆

3-methylhexane

hex3m

1712

C₇H₁₆

heptane

1713

CH(CN)₃

tricyanomethane

mecn3

1714

HN=C=C(CN)₂

Dicyanoketenimine

c4hn3

1715

C₆H₇N

2-Methylpyridine

1716

C₆H₅NH₂

aniline

1717

C₆H₁₃N

2-Methylpiperidine

pip2m

1718

C₆H₁₃N

cyclohexanamine

cham

1719

C₆H₁₅N

triethylamine

tea

1720

N₂O₅

Dinitrogen pentoxide

n2o5

1721

C₄H₂O₃

Maleic Anhydride

malan

1722

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1723

C₅H₄O₂

furfural

1724

C₆H₅O

phenoxy radical

phenoxy

1725

C₅H₅NO

2(1H)-Pyridinone

c72762006

1726

C₅H₅NO

2(3H)-Pyridinone

c9000048

1727

C₅H₅NO

2(5H)-Pyridinone

c9000037

1728

C₅H₅NO

2-Pyridinol

c109104

1729

C₅H₅NO

3(2H)-Pyridinone

c9000004

1730

C₅H₅NO

3(4H)-Pyridinone

c9000026

1731

C₅H₅NO

3(6H)-Pyridinone

c9000015

1732

C₅H₅NO

3-Pyridinol

c109002

1733

C₅H₅NO

4(1H)-Pryidinone

c9000060

1734

C₅H₅NO

4(3H)-Pryidinone

c9000059

1735

C₅H₅NO

4-Pyridinol

c626642

1736

C₆H₅OH

phenol

1737

C₆H₆O

2,4-Cyclohexadienone

c24599573

1738

C₆H₆O

2,5-Cyclohexadienone

c5664335

1739

C₆H₅SH

Benzenethiol

phsh

1740

HO₂CCHNH₂CH₂OH

Serine

serine

1741

C₅H₈O₂

Acetylacetone

acac

1742

C₄H₈O₂S

Sulfolane

sulfolane

1743

C₇H₁₀

Norbornene

norbornene

1744

CH(C₂H₃)₃

trivinyl methane

tvm

1745

C₆H₁₀O

cyclohexanone

chexo

1746

C₆H₁₂O

hexanal

c6h12o

1747

C₆H₁₂O

Oxepane

oxepane

1748

C₃H₇OC₃H₇

di-n-propyl ether

propr

1749

F₂CCCF₂

tetrafluoroallene

pfa

1750

CF₃COO^-

trifluoro acetate anion

cf3coo-

1751

CF₃COF

trifluoroacetyl fluoride

cf3cof

1752

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1753

PF₆

Hexafluorophosphate neutral

pf6

1754

SF₆

Sulfur Hexafluoride

sf6

1755

SeF₆

Selenium hexafluoride

sef6

1756

SF₅Cl

sulfur chloropentafluoride

sf5cl

1757

CF₃CHF₂

pentafluoroethane

cf3chf2

1758

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1759

CF₃CHCl₂

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

cf3chcl2

1760

CHCl₂CClF₂

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

chcl2cclf2

1761

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1762

C₆H₅F

Fluorobenzene

bzf

1763

C₆H₅Cl

chlorobenzene

bzcl

1764

C₆H₅Br

bromobenzene

bzbr

1765

C₈H₆

Calicene

calicene

1766

C₆H₅CCH

phenylacetylene

phac

1767

C₈H₆

benzocyclobutadiene

bcbd

1768

C₈H₆

Pentalene

pentalene

1769

C₆H₅CHCH₂

Styrene

styrene

1770

C₈H₈

cubane

1771

C₈H₈

cyclooctatetraene

cot

1772

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1773

CH₃C₆H₄CH₃

meta-xylene

mxylene

1774

CH₃C₆H₄CH₃

paraxylene

pxylene

1775

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1776

C₈H₁₆

cyclooctane

cyclooct

1777

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1778

C₈H₁₈

Octane

c8h18

1779

C₆H₅CN

phenyl cyanide

phcn

1780

C₆H₁₂N₂

Triethylenediamine

ted

1781

C₄O₄^--

squarate dianion

c4o4--

1782

S₄N₄

Tetrasulfur tetranitride

s4n4

1783

S₈

Octasulfur

1784

C₆H₄O₂

parabenzoquinone

pbq

1785

C₄H₄N₂O₂

Uracil

uracil

1786

C₆H₅CHO

benzaldehyde

benzal

1787

C₆H₅OCH₃

Anisole

anisole

1788

C₅H₉NO₂

Proline

proline

1789

C₆H₁₂O₂

Methyl pivalate

c598981

1790

C₆H₁₂O₂

Hexanoic acid

hexa

1791

C₄F₄

tetrafluorcyclobutadiene

c4f4

1792

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1793

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1794

CF₂ClCF₂Cl

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

cf2clcf2cl

1795

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1796

CF₂ClCFCl₂

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

cf2clcfcl2

1797

CF₃CCl₃

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

cf3ccl3

1798

C₂F₆

hexafluoroethane

c2f6

1799

C₂Cl₆

hexachloroethane

c2cl6

1800

IF₇

Iodine heptafluoride

if7

1801

C₆H₄F₂

metadifluorobenzene

mdfb

1802

C₆H₄F₂

orthodifluorobenzene

odfb

1803

C₆H₄F₂

1,4-difluorobenzene

pdfb

1804

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1805

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1806

C₆H₄Cl₂

1,4-dichlorobenzene

dcb14

1807

C₆H₅NO

nitrosobenzene

bzno

1808

C₉H₈

Indene

indene

1809

C₉H₈

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

snt

1810

C₉H₁₂

n-propyl benzene

prbz

1811

C₉H₂₀

Nonane

nonane

1812

C(CN)₄

tetracyanomethane

c5n4

1813

C₅H₄N₄

purine

1814

C₈H₇N

Indole

indole

1815

C₆H₅NO₂

Nitrobenzene

c6h5no2

1816

C₆H₅COOH

benzoic acid

benzo

1817

CH₃COC₆H₅

acetophenone

acph

1818

C₃Cl₃N₃

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

c3cl3n3

1819

C₃F₆

hexafluoropropene

c3f6

1820

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1821

C₈H₁₈O

1-Octanol

octanol

1822

C₁₀H₈

Azulene

azu

1823

C₁₀H₈

naphthalene

naph

1824

C₁₀H₁₀

bullvalene

bullv

1825

C₁₀H₁₆

adamantane

1826

C₆N₄

Tetracyanoethylene

tcne

1827

C₆N₄^-

tetracyanoethylene anion

tcne-

1828

C₁₀H₂₂

Decane

decane

1829

C₄F₆

perfluorobutadiene

c4f6

1830

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1831

C₃F₈

perfluoropropane

c3f8

1832

Fe(CO)₅

Iron pentacarbonyl

ipc

1833

Fe(C₅H₅)₂

ferrocene

fecp2

1834

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1835

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1836

C₁₂H₈

Acenaphthylene

acenaph

1837

C₁₂H₈

biphenylene

biph

1838

C₁₂H₁₀

biphenyl

1839

C₁₂H₁₀

Heptalene

heptalene

1840

C₆H₁₂O₆

Inositol

inositol

1841

C₆F₆

hexafluorobenzene

c6f6

1842

S₂F₁₀

disulphur decafluoride

s2f10

1843

C₁₃H₁₀

Fluorene

fluorene

1844

C₁₄H₁₀

Anthracene

anth

1845

C₁₄H₁₀

Phenanthrene

phenanthrene

1846

C₁₄H₁₄

Bibenzyl

bibenzyl

1847

C₁₂H₁₀N₂

azobenzene

1848

C₆H₅COC₆H₅

benzophenone

1849

C₁₆H₁₀

Pyrene

pyrene

1850

C₁₈H₁₂

Tetracene

tetracene

1851

C₁₉H₁₆

Triphenylmethane

tpm

1852

C₂₄H₁₂

Coronene

coronene

1853

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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