CCCBDB List of Species with completed calculations

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List of which calculations are completed at ROMP2 /TZVP

Jump to calculations not yet done

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
4	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
5	He	Helium atom
6	He⁺	Helium atom cation	²S	K_h
7	HeH⁺	Helium hydride cation	¹Σ	C_∞v
8	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
9	Li	Lithium atom	²S	K_h
10	Na	Sodium atom	²S	K_h
11	K	Potassium atom	²S	K_h
12	LiH⁺	lithium hydride cation	²Σ	C_∞v
13	NaH⁺	sodium hydride cation	²Σ	C_∞v
14	KH	Potassium hydride	¹Σ	C_∞v
15	KH⁺	Potassium hydrogen cation	²Σ	C_∞v
16	Be⁺	Beryllium atom cation	²S	K_h
17	Mg⁺	Magnesium atom cation	²S	K_h
18	BeH	beryllium monohydride	²Σ	C_∞v
19	MgH	magnesium monohydride	²Σ	C_∞v
20	TiH	Titanium monohydride	⁴Φ	C_∞v
21	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
22	BeH₂⁺	Beryllium dihydride cation
23	B	Boron atom	²P	K_h
24	B	Boron atom	⁴P	K_h
25	B⁺	Boron atom cation	¹S	K_h
26	Al	Aluminum atom	²P	K_h
27	Al^-	Aluminum atom anion	³P	K_h
28	Al⁺	Aluminum atom cation	¹S	K_h
29	Sc	Scandium atom	²D	K_h
30	Sc⁺	Scandium cation	³D	K_h
31	Ga	Gallium atom	²P
32	Ga^-	Gallium atom anion	³P	O_h
33	Ga⁺	Gallium atom cation	¹S
34	BH	Boron monohydride	³Π	C_∞v
35	BH^-	boron monohydride anion	⁴Σ	C_∞v
36	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
37	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
38	BH₂^-	boron dihydride anion	³B₁	C_2v
39	BH₃⁺	boron trihydride cation	²B₂	C_2v
40	BH₃⁺	boron trihydride cation		C_2v
41	AlH₃^-	aluminum trihydride anion		C_3v
42	ScH₃	Scandium trihydride	¹A₁	C_3v
43	BH₄	borohydride	²B₂	C_2v
44	BH₄^-	borohydride anion	¹A₁	T_d
45	C	Carbon atom	³P₀	K_h
46	C^-	Carbon atom anion	²D	K_h
47	Si	Silicon atom	³P	K_h
48	Si^-	Silicon atom anion	⁴S	K_h
49	Ge	Germanium atom	³P	K_h
50	Ge^-	Germanium anion	⁴S	K_h
51	CH	Methylidyne	²Π_1/2	C_∞v
52	SiH	Silylidyne	²Π	C_∞v
53	SiH^-	silicon monohydride anion	³Σ	C_∞v
54	GeH	germylidene	²Π	C_∞v
55	CH₂	Methylene	³B₁	C_2v
56	CH₂	Methylene	³Σ_G	D_∞h
57	CH₂^-	methylene anion	²B₁	C_2v
58	CH₂⁺	methylene cation	²A₁	C_2v
59	CH₂⁺	methylene cation	²Π	D_∞h
60	SiH₂	silicon dihydride	³B₁	C_2v
61	GeH₂^-	germylene anion	²B₁	C_2v
62	CH₃	Methyl radical	²A₁	D_3h
63	SiH₃	Silyl radical	²A₁	C_3v
64	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
65	GeH₃	Germyl radical	²A₁	C_3v
66	GeH₃⁺	germyl cation	¹A₁^'	D_3h
67	N	Nitrogen atom	⁴S	K_h
68	N	Nitrogen atom	²D	K_h
69	P	Phosphorus atom	⁴S	K_h
70	V	Vanadium atom	⁴F	K_h
71	V⁺	Vanadium atom cation	⁵D	K_h
72	As	Arsenic atomic	⁴S	K_h
73	As^-	Arsenic anion	³P	K_h
74	PH	phosphorus monohydride	³Σ^-	C_∞v
75	AsH	Arsenic monohydride	³Σ	C_∞v
76	NH₂	Amino radical	²B₁	C_2v
77	NH₂⁺	Amino cation	³B₁	C_2v
78	NH₃^-	Ammonia anion	²A₁	C_3v
79	NH₃⁺	ammonia cation	²A₂^"	D_3h
80	AsH₃⁺	Arsine cation	²A₁	C_3v
81	NH₄	Ammonium radical
82	PH₄	Phosphoranyl radical
83	O	Oxygen atom	³S	K_h
84	S	Sulfur atom	³P	K_h
85	S^-	Sulfur atom anion	²P	K_h
86	S⁺	Sulfur atom cation	⁴S	K_h
87	Se	Selenium atom	³P	K_h
88	Se^-	Selenium atom anion	²P	K_h
89	Se⁺	Selenium atom cation	⁴S	K_h
90	OH	Hydroxyl radical	²Π	C_∞v
91	OH^-	hydroxide anion	¹Σ	C_∞v
92	OH⁺	hydoxyl cation	³Σ	C_∞v
93	HS	Mercapto radical	²Π	C_∞v
94	HS^-	mercapto anion	¹Σ	C_∞v
95	HS⁺	sulfur monohydride cation	³Σ	C_∞v
96	CrH	Chromium hydride	⁶Σ	C_∞v
97	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
98	HSe	Selenium monohydride	²Π	C_∞v
99	HSe⁺	selenium monohydride cation	³Σ	C_∞v
100	H₂O^-	water anion	²A₁	C_2v
101	H₂O^-	water anion	²A^'	C_s
102	H₂O⁺	water cation	²B₁	C_2v
103	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
104	H₂Se	Hydrogen selenide	¹A₁	C_2v
105	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
106	H₃S⁺	Sulfonium cation	¹A₁	C_3v
107	F	Fluorine atom	²P	K_h
108	F^-	Fluorine atom anion	¹S	K_h
109	F⁺	Fluorine atom cation	³S	K_h
110	F⁺	Fluorine atom cation	¹D	K_h
111	Cl	Chlorine atom	²P	K_h
112	Cl⁺	Chlorine atom cation	³P	K_h
113	Cl⁺	Chlorine atom cation	¹D	K_h
114	Br	Bromine atom	²P	K_h
115	Br^-	Bromine atom anion	¹S	K_h
116	Br⁺	Bromine atom cation	³P	K_h
117	HF^-	hydrogen fluoride anion	²Σ	C_∞v
118	HF⁺	hydrogen fluoride cation	²Π	C_∞v
119	HCl^-	hydrogen chloride anion	²Σ	C_∞v
120	HCl⁺	hydrogen chloride cation	²Π	C_∞v
121	HBr^-	hydrogen bromide anion	²Σ	C_∞v
122	HBr⁺	hydrogen bromide cation	²Π	C_∞v
123	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
124	Ne	Neon atom
125	Ne⁺	Neon atom cation	²P	K_h
126	Kr	Krypton atom	¹S	K_h
127	Kr⁺	Krypton cation	²P	K_h
128	NeH	neon hydrogen	²Σ	C_∞v
129	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
130	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
131	NaK⁺	Sodium Potassium diatomic cation		1
132	LiBe	Lithium Beryllium	²Σ	C_∞v
133	LiMg	Lithium magnesium	²Σ	C_∞v
134	NaBe	Sodium Beryllium	²Σ	C_∞v
135	NaMg	Sodium Magnesium	²Σ	C_∞v
136	Be₂	Beryllium diatomic	³Π_g	D_∞h
137	LiB	Lithium boride	³Π	C_∞v
138	NaAl	Sodium aluminum	¹Σ	C_∞v
139	BeB	Beryllium monoboride	²Π	C_∞v
140	B₂	Boron diatomic	³Σ_g	D_∞h
141	BAl	Boron Aluminum	³Σ	C_∞v
142	BGa	Boron Gallium	³Σ	C_∞v
143	AlGa	Aluminum Gallium	³Σ	C_∞v
144	Ga₂	Gallium diatomic	³P_iu
145	HBBH	Diborane(2)	³Σ_G	D_∞h
146	B₂H₆⁺	Diborane cation
147	LiC	Lithium Carbide	⁴Σ	C_∞v
148	BeC	Beryllium Carbide	³Σ^-	C_∞v
149	BeC	Beryllium Carbide
150	CaC	Calcium monocarbide
151	BC	boron monocarbide	⁴Σ^-	C_∞v
152	AlC	Aluminum carbide	⁴Σ	C_∞v
153	BSi	Boron silicide	⁴Σ	C_∞v
154	BSi	Boron silicide	²Σ	C_∞v
155	C₂	Carbon diatomic	³Σ_g^-
156	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
157	SiC	silicon monocarbide	³Σ	C_∞v
158	GeC	Germanium monocarbide	¹Σ	C_∞v
159	SiGe	Silicon Germanium
160	Ge₂	Germanium diatomic	³Σ_g	D_∞h
161	C₂H	Ethynyl radical	²Σ	C_∞v
162	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
163	CCH₂	vinylidene	³B₂	C_2v
164	H₂CC^-	vinylidene anion
165	HCCH^-	acetylene anion
166	HCCH^-	acetylene anion
167	C₂H₃	vinyl	²A^'	C_s
168	C₂H₄⁺	Ethylene cation	²B₃	D₂
169	C₂H₅	Ethyl radical	²A^'	C_s
170	LiN	Lithium Nitride	³Σ	C_∞v
171	LiP	Lithium monophosphide
172	BeN	Beryllium mononitride	⁴Σ	C_∞v
173	BeN	Beryllium mononitride	²Π	C_∞v
174	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
175	MgN	Magnesium Nitride
176	MgN	Magnesium Nitride
177	BP	Boron monophosphide	³Π	C_∞v
178	AlP	Aluminum monophosphide	³Σ	C_∞v
179	AlP	Aluminum monophosphide	³Π	C_∞v
180	GaN	Gallium mononitride	³Π	C_∞v
181	GaP	Gallium monophosphide	³Σ	C_∞v
182	GaAs	Gallium arsenide	³Π
183	GaAs	Gallium arsenide	¹Σ
184	BN	boron nitride	³Π	C_∞v
185	CN	Cyano radical	²Σ	C_∞v
186	SiP	Silicon monophosphide	²Π	C_∞v
187	N₂	Nitrogen diatomic
188	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
189	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
190	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
191	HNC⁺	hydrogen isocyanide cation
192	HCP⁺	Phosphaethyne cation
193	CNH₂	Aminomethylidyne radical	²B₂	C_2v
194	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
195	HCNH	methyleneazane	²A^'	CS cis
196	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
197	CH₂NH⁺	Methanimine cation
198	CHNH₂⁺	Aminocarbene cation
199	N₂H₄⁺	hydrazine cation	²A_G	C_2h
200	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
201	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
202	LiO	lithium oxide	²Σ	C_∞v
203	LiS	Lithium monosulfide	²Π	C_∞v
204	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
205	NaO	sodium monoxide	²Σ	C_∞v
206	KO	Potassium monoxide	²Σ	C_∞v
207	KO⁺	Potassium monoxide cation	³Σ	C_∞v
208	NaS	Sodium sulfide	²Π	C_∞v
209	LiSe	Lithium monoselenide
210	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
211	BO	boron monoxide	²Σ	C_∞v
212	ScO	Scandium monoxide	²Σ	C_∞v
213	GaO	Gallium monoxide	²Σ	C_∞v
214	GaS	Gallium monosulfide
215	CO	Carbon monoxide	³Π	C_∞v
216	CO^-	carbon monoxide anion	²Π	C_∞v
217	CO⁺	carbon monoxide cation	²Σ	C_∞v
218	TiO	Titanium monoxide	³Δ	C_∞v
219	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
220	SiSe⁺	Silicon Monoselenide cation
221	NO	Nitric oxide	²Π	C_∞v
222	NO^-	nitric oxide anion	³Σ	C_∞v
223	NS	Mononitrogen monosulfide	²Π	C_∞v
224	NS^-	nitrogen sulfide anion	³Σ	C_∞v
225	PO	Phosphorus monoxide	²Π	C_∞v
226	PS	phosphorus sulfide	²Σ	C_∞v
227	VO	Vanadium monoxide	⁴Σ^-
228	NSe	Nitrogen monoselenide	²Π	C_∞v
229	AsS	Arsenic monosulfide	²Π	C_∞v
230	PSe	Phosphorus monoselenide	²Π	C_∞v
231	AsSe	Arsenic monoselenide	²Π	C_∞v
232	O₂	Oxygen diatomic	³Σ_g	D_∞h
233	O₂^-	oxygen diatomic anion	²Π	D_∞h
234	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
235	SO	Sulfur monoxide	³Σ	C_∞v
236	SO	Sulfur monoxide	¹Σ	C_∞v
237	SO⁺	sulfur monoxide cation	²Π	C_∞v
238	S₂	Sulfur diatomic	³Σ_g	D_∞h
239	SeO	Selenium monoxide	³Σ	C_∞v
240	Se₂	Selenium diatomic	³Σ_g	D_∞h
241	BeOH	beryllium monohydroxide	²A^'	C_s
242	COH	Hydroxymethylidyne
243	HCO	Formyl radical	²A^'	C_s
244	HCO^-	formyl anion	¹A^'	C_s
245	HCO⁺	Formyl cation	¹Σ	C_∞v
246	HNO	Nitrosyl hydride	¹A^'	C_s
247	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
248	NOH	Hydroxyimidogen	³A^"	C_s
249	NOH⁺	O-protonated nitric oxide	²A^'	C_s
250	HO₂	Hydroperoxy radical	²A^"	C_s
251	HO₂⁺	Hydroperoxy cation	³A^"	C_s
252	SOH	Sulfur Hydroxide
253	SOH⁺	Sulfur Monoxide, protonated
254	HS₂	Thiosulfeno radical	²A^"	C_s
255	H₂CO^-	formaldehyde anion	²A^'	C_s
256	H₂CO^-	formaldehyde anion
257	H₂CO⁺	formaldehyde cation	²B₂	C_2v
258	H₂CS^-	thioformaldehyde anion
259	H₂CS^-	thioformaldehyde anion
260	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
261	H₂NO	nitroxide	²B₁	C_2v
262	H₂NO	nitroxide	²A^'	C_s
263	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
264	CH₂OH	Hydroxymethyl radical	²A	C₁
265	CH₃O⁺	Methoxy cation	³A₁	C_3v
266	NH₂OH⁺	Hydroxylamine cation
267	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
268	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
269	CH₃SH⁺	Methanethiol cation	²A^"	C_s
270	NH₂OH₂⁺	protonated hydroxylamine
271	NH₃OH⁺	N-protonated hydroxylamine
272	NaF⁺	sodium fluoride cation	²Σ	C_∞v
273	LiF⁺	lithium fluoride cation	²Π	C_∞v
274	TiCl	Titanium Monochloride	⁴Σ	C_∞v
275	ZnF	Zinc monofluoride	²Σ	C_∞v
276	CaBr	Calcium monobromide
277	GaF	Gallium monofluoride	¹Σ	C_∞v
278	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
279	GaCl	Gallium monochloride	¹Σ_G	C_∞v
280	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
281	CF	Fluoromethylidyne	²Π	C_∞v
282	SiF	silicon monofluoride	²Π	C_∞v
283	SiF^-	silicon monofluoride anion	³Σ	C_∞v
284	SiCl	Clorosilylidyne	²Π	C_∞v
285	CBr	Carbon monobromide	²Π	C_∞v
286	GeF	Germanium monofluoride	²Π	C_∞v
287	GeCl	Germanium monochloride	²Π	C_∞v
288	SiBr	Silicon monobromide	²Π	C_∞v
289	SiBr⁺	Silicon monobromide cation
290	NCl	nitrogen monochloride	³Σ	C_∞v
291	AsF	Arsenic monofluoride	³Σ	C_∞v
292	NBr	nitrogen monobromide	³Σ^-	C_∞v
293	AsCl	Arsenic monochloride	³Σ	C_∞v
294	PBr	Phosphorus monobromide
295	FO	Oxygen monofluoride	²Π	C_∞v
296	ClO	Monochlorine monoxide	²Π	C_∞v
297	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
298	SF	Monosulfur monofluoride	²Π	C_∞v
299	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
300	SCl	sulfur monochloride	²Π	C_∞v
301	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
302	BrO	Bromine monoxide	²Π	C_∞v
303	BrO⁺	Bromine monoxide cation
304	SeF	Selenium monofluoride	²Π	C_∞v
305	SBr	Sulfur monobromide radical
306	SBr⁺	Sulfur monobromide cation
307	SeCl	Selenium monochloride	²Π	C_∞v
308	SeBr	Selenium monobromide
309	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
310	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
311	ClF⁺	clorine monofluoride cation	²Π	C_∞v
312	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
313	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
314	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
315	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
316	HCF	Fluoromethylene	³A^"	C_s
317	HCCl	Chloromethylene	³A^"	C_s
318	CHBr	bromomethylene	³A^"	C_s
319	HOCl⁺	hypochlorous acid cation
320	HOBr⁺	Hypobromous acid cation	²A^"	C_s
321	CH₂Br	bromomethyl radical	²A^'	C_s
322	CH₂Br	bromomethyl radical
323	CH₂F	fluoromethyl radical	²A	C_s
324	CH₂Cl	chloromethyl radical	²B₁	C_2v
325	CH₃F⁺	methyl fluoride cation
326	CH₃Cl⁺	Methyl chloride cation
327	CH₃Br	methyl bromide	¹A₁	C_3v
328	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
329	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
330	Li₃	Lithium trimer	²B₂	C_2v
331	C₃	carbon trimer	¹A₁	C_2v
332	C₃H₃	cyclopropenyl radical	²A^'	C_s
333	CH₃CHCH	1-propenyl radical	²A^'	C_s
334	C₃H₇	n-Propyl radical	²A^"	C₁
335	CH₃CHCH₃	Isopropyl radical	²A	C₂
336	LiCN	lithium cyanide	¹Σ	C*V LiCN
337	KCN	Potassium cyanide	¹Σ	C_∞v
338	ZnCN	Zinc monocyanide	²Σ	C_∞v
339	ZnNC	Zinc isocyanide	²Σ	C_∞v
340	CNN	Diazocarbene
341	NCN	Cyanoimidogen	³Σ_g	D_∞h
342	N₃	azide radical	²Π_g	D_∞h
343	N₃⁺	azide cation	³Σ_g	D_∞h
344	N₃⁺	azide cation	³Σ	C_∞v
345	HCCN	cyanomethylene	³A^"	C_s
346	HCCN	cyanomethylene
347	HN₃	hydrogen azide	¹A^'	C_s
348	HN₃⁺	Hydrazoic acid cation
349	CH₃CN^-	acetonitrile anion	²E	C_3v
350	CH₃CN^-	acetonitrile anion	²A^'	C_s
351	HCNCH₂⁺	2H-Azirine cation
352	CH₂CHNH	vinylazine	²A^"	CS cis
353	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
354	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
355	LiO₂	Lithium dioxide
356	NaO₂	Sodium superoxide
357	CCO	Dicarbon monoxide	³Σ	C_∞v
358	NCO	isocyanato radical	²Π	C_∞v
359	N₂O^-	Nitrous oxide anion	²A^'	C_s
360	CS₂^-	Carbon disulfide anion	²A₁	C_2v
361	NO₂	Nitrogen dioxide	²A₁	C_2v
362	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
363	NSO	sulfinyl amidogen
364	SNO	Nitrogen oxide sulfide
365	AsO₂	Aresenic dioxide	²A₁	C_2v
366	SO₂	Sulfur dioxide	¹A₁	C_2v
367	S₃^-	Sulfur trimer anion	²B₁	C_2v
368	S₃⁺	Sulfur trimer cation	²B₂	C_2v
369	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
370	HCCO	ketenyl radical	²Π	C_∞v
371	HCCO	ketenyl radical	²A^"	C_s
372	HCOO	formate neutral radical	²A^'	C_s
373	HOCO	Hydrocarboxyl radical	¹A^'	cis
374	HOCO	Hydrocarboxyl radical	¹A^'	trans
375	Be(OH)₂	Beryllium hydroxide
376	C₂H₄O⁺	ethylene oxide cation
377	CH₃CHO⁺	acetaldehyde cation
378	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
379	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
380	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
381	CH₃SCH₃⁺	dimethyl sulfide cation
382	CuF₂	Copper difluoride	²Π_g	D_∞h
383	FCO	Carbonyl fluoride	²A^'	C_s
384	ClCO	carbonyl monochloride	²A^'	C_s
385	BF₂	Boron difluoride radical	²A₁	C_2v
386	SiF₂	Silicon difluoride	³B₁	C_2v
387	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
388	CBr₂	dibromomethylene	³B₁	C_2v
389	FOO⁺	Fluorine dioxide cation
390	OClO	Chlorine dioxide	²B₁	D_∞h
391	OClO^-	Chlorine dioxide anion	¹A^'	C_s
392	ClSO	Sulfur chloride oxide	²A^"	C_s
393	BrOO	Bromine dioxide
394	OBrO	Bromine dioxide radical	²B₁	C_2v
395	PF₂	Phosphorus difluoride
396	SF₂^-	sulfur difluoride anion	²A^'	C_s
397	HFCO⁺	formyl fluoride cation	²A^'	C_s
398	CHCl₂	dichloromethyl radical	²B₁	C_2v
399	CHCl₂	dichloromethyl radical	²A^'	C_s
400	CHF₂	difluoromethyl radical	²A	C_s
401	CHFCl	Chlorofluoromethyl radical
402	CHBr₂	dibromomethyl radical
403	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
404	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
405	CHClCH₃	1-chloroethyl radical	²A	C₁
406	C₄	Carbon tetramer	³Σ_g	D_∞h
407	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
408	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
409	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
410	C₂H₂O₂	Ethanedial	¹A_g	C_2h
411	CH₃COCH₂	Acetonyl radical	²A^"	C_s
412	CH₃COCH₃^-	acetone anion	²A^'	C_s
413	ClONO	chlorine nitrite	¹A^'	CS cis
414	CF₂O⁺	Carbonic difluoride cation
415	BF₃⁺	boron trifluoride cation
416	BCl₃⁺	Boron Trichloride cation
417	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
418	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
419	CF₂Cl	difluorochloromethyl radical
420	SiF₃	Silicon trifluoride radical	²A₁	C_3v
421	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
422	CFCl₂	dichlorofluoromethyl radical
423	CBr₃	tribromomethyl radical
424	NF₃	Nitrogen trifluoride	¹A₁	C_3v
425	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
426	SF₃	Sulfur trifluoride	²A^'	C_s
427	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
428	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
429	C₄H₄N	pyrrolide radical	²A₂	C_2v
430	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
431	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
432	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
433	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
434	C₆H₅CHO	benzaldehyde	¹A^'	C_s

count

Species

Name

State

Conformation

Hydrogen atom

¹S

K_h

H^-

Hydrogen atom anion

²S

K_h

H₂^-

hydrogen diatomic anion

²Σ_u⁺

D_∞h

H₂⁺

Hydrogen cation

²Σ_g⁺

D_∞h

Helium atom

He⁺

Helium atom cation

²S

K_h

HeH⁺

Helium hydride cation

¹Σ

C_∞v

He₂⁺

helium diatomic cation

²Σ_u

D_∞h

Lithium atom

²S

K_h

Sodium atom

²S

K_h

Potassium atom

²S

K_h

LiH⁺

lithium hydride cation

²Σ

C_∞v

NaH⁺

sodium hydride cation

²Σ

C_∞v

Potassium hydride

¹Σ

C_∞v

KH⁺

Potassium hydrogen cation

²Σ

C_∞v

Be⁺

Beryllium atom cation

²S

K_h

Mg⁺

Magnesium atom cation

²S

K_h

BeH

beryllium monohydride

²Σ

C_∞v

MgH

magnesium monohydride

²Σ

C_∞v

TiH

Titanium monohydride

⁴Φ

C_∞v

BeH₂⁺

Beryllium dihydride cation

²Σ

C_∞v

BeH₂⁺

Beryllium dihydride cation

Boron atom

²P

K_h

Boron atom

⁴P

K_h

B⁺

Boron atom cation

¹S

K_h

Aluminum atom

²P

K_h

Al^-

Aluminum atom anion

³P

K_h

Al⁺

Aluminum atom cation

¹S

K_h

Scandium atom

²D

K_h

Sc⁺

Scandium cation

³D

K_h

Gallium atom

²P

Ga^-

Gallium atom anion

³P

O_h

Ga⁺

Gallium atom cation

¹S

Boron monohydride

³Π

C_∞v

BH^-

boron monohydride anion

⁴Σ

C_∞v

ScH⁺

Scandium monohydride cation

²Σ

C_∞v

GaH⁺

Gallium monohydride cation

²Σ

C_∞v

BH₂^-

boron dihydride anion

³B₁

C_2v

BH₃⁺

boron trihydride cation

²B₂

C_2v

BH₃⁺

boron trihydride cation

C_2v

AlH₃^-

aluminum trihydride anion

C_3v

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

Silicon atom

³P

K_h

Si^-

Silicon atom anion

⁴S

K_h

Germanium atom

³P

K_h

Ge^-

Germanium anion

⁴S

K_h

Methylidyne

²Π_1/2

C_∞v

SiH

Silylidyne

²Π

C_∞v

SiH^-

silicon monohydride anion

³Σ

C_∞v

GeH

germylidene

²Π

C_∞v

CH₂

Methylene

³B₁

C_2v

CH₂

Methylene

³Σ_G

D_∞h

CH₂^-

methylene anion

²B₁

C_2v

CH₂⁺

methylene cation

²A₁

C_2v

CH₂⁺

methylene cation

²Π

D_∞h

SiH₂

silicon dihydride

³B₁

C_2v

GeH₂^-

germylene anion

²B₁

C_2v

CH₃

Methyl radical

²A₁

D_3h

SiH₃

Silyl radical

²A₁

C_3v

SiH₃⁺

Silyl cation

¹A₁^'

D_3h

GeH₃

Germyl radical

²A₁

C_3v

GeH₃⁺

germyl cation

¹A₁^'

D_3h

Nitrogen atom

⁴S

K_h

Nitrogen atom

²D

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

phosphorus monohydride

³Σ^-

C_∞v

AsH

Arsenic monohydride

³Σ

C_∞v

NH₂

Amino radical

²B₁

C_2v

NH₂⁺

Amino cation

³B₁

C_2v

NH₃^-

Ammonia anion

²A₁

C_3v

NH₃⁺

ammonia cation

²A₂^"

D_3h

AsH₃⁺

Arsine cation

²A₁

C_3v

NH₄

Ammonium radical

PH₄

Phosphoranyl radical

Oxygen atom

³S

K_h

Sulfur atom

³P

K_h

S^-

Sulfur atom anion

²P

K_h

S⁺

Sulfur atom cation

⁴S

K_h

Selenium atom

³P

K_h

Se^-

Selenium atom anion

²P

K_h

Se⁺

Selenium atom cation

⁴S

K_h

Hydroxyl radical

²Π

C_∞v

OH^-

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

²Π

C_∞v

HSe⁺

selenium monohydride cation

³Σ

C_∞v

100

H₂O^-

water anion

²A₁

C_2v

101

H₂O^-

water anion

²A^'

C_s

102

H₂O⁺

water cation

²B₁

C_2v

103

H₂S⁺

Hydrogen sulfide cation

²B₁

C_2v

104

H₂Se

Hydrogen selenide

¹A₁

C_2v

105

H₂Se⁺

Hydrogen selenide cation

²B₁

C_2v

106

H₃S⁺

Sulfonium cation

¹A₁

C_3v

107

Fluorine atom

²P

K_h

108

F^-

Fluorine atom anion

¹S

K_h

109

F⁺

Fluorine atom cation

³S

K_h

110

F⁺

Fluorine atom cation

¹D

K_h

111

Chlorine atom

²P

K_h

112

Cl⁺

Chlorine atom cation

³P

K_h

113

Cl⁺

Chlorine atom cation

¹D

K_h

114

Bromine atom

²P

K_h

115

Br^-

Bromine atom anion

¹S

K_h

116

Br⁺

Bromine atom cation

³P

K_h

117

HF^-

hydrogen fluoride anion

²Σ

C_∞v

118

HF⁺

hydrogen fluoride cation

²Π

C_∞v

119

HCl^-

hydrogen chloride anion

²Σ

C_∞v

120

HCl⁺

hydrogen chloride cation

²Π

C_∞v

121

HBr^-

hydrogen bromide anion

²Σ

C_∞v

122

HBr⁺

hydrogen bromide cation

²Π

C_∞v

123

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

124

Neon atom

125

Ne⁺

Neon atom cation

²P

K_h

126

Krypton atom

¹S

K_h

127

Kr⁺

Krypton cation

²P

K_h

128

NeH

neon hydrogen

²Σ

C_∞v

129

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

130

Na₂⁺

sodium diatomic cation

²Σ_g

D_∞h

131

NaK⁺

Sodium Potassium diatomic cation

132

LiBe

Lithium Beryllium

²Σ

C_∞v

133

LiMg

Lithium magnesium

²Σ

C_∞v

134

NaBe

Sodium Beryllium

²Σ

C_∞v

135

NaMg

Sodium Magnesium

²Σ

C_∞v

136

Be₂

Beryllium diatomic

³Π_g

D_∞h

137

LiB

Lithium boride

³Π

C_∞v

138

NaAl

Sodium aluminum

¹Σ

C_∞v

139

BeB

Beryllium monoboride

²Π

C_∞v

140

B₂

Boron diatomic

³Σ_g

D_∞h

141

BAl

Boron Aluminum

³Σ

C_∞v

142

BGa

Boron Gallium

³Σ

C_∞v

143

AlGa

Aluminum Gallium

³Σ

C_∞v

144

Ga₂

Gallium diatomic

³P_iu

145

HBBH

Diborane(2)

³Σ_G

D_∞h

146

B₂H₆⁺

Diborane cation

147

LiC

Lithium Carbide

⁴Σ

C_∞v

148

BeC

Beryllium Carbide

³Σ^-

C_∞v

149

BeC

Beryllium Carbide

150

CaC

Calcium monocarbide

151

boron monocarbide

⁴Σ^-

C_∞v

152

AlC

Aluminum carbide

⁴Σ

C_∞v

153

BSi

Boron silicide

⁴Σ

C_∞v

154

BSi

Boron silicide

²Σ

C_∞v

155

C₂

Carbon diatomic

³Σ_g^-

156

C₂⁺

carbon diatomic cation

⁴Σ_g

D_∞h

157

SiC

silicon monocarbide

³Σ

C_∞v

158

GeC

Germanium monocarbide

¹Σ

C_∞v

159

SiGe

Silicon Germanium

160

Ge₂

Germanium diatomic

³Σ_g

D_∞h

161

C₂H

Ethynyl radical

²Σ

C_∞v

162

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

163

CCH₂

vinylidene

³B₂

C_2v

164

H₂CC^-

vinylidene anion

165

HCCH^-

acetylene anion

166

HCCH^-

acetylene anion

167

C₂H₃

vinyl

²A^'

C_s

168

C₂H₄⁺

Ethylene cation

²B₃

D₂

169

C₂H₅

Ethyl radical

²A^'

C_s

170

LiN

Lithium Nitride

³Σ

C_∞v

171

LiP

Lithium monophosphide

172

BeN

Beryllium mononitride

⁴Σ

C_∞v

173

BeN

Beryllium mononitride

²Π

C_∞v

174

BeN⁺

Beryllium mononitride cation

¹Σ

C_∞v

175

MgN

Magnesium Nitride

176

MgN

Magnesium Nitride

177

Boron monophosphide

³Π

C_∞v

178

AlP

Aluminum monophosphide

³Σ

C_∞v

179

AlP

Aluminum monophosphide

³Π

C_∞v

180

GaN

Gallium mononitride

³Π

C_∞v

181

GaP

Gallium monophosphide

³Σ

C_∞v

182

GaAs

Gallium arsenide

³Π

183

GaAs

Gallium arsenide

¹Σ

184

boron nitride

³Π

C_∞v

185

Cyano radical

²Σ

C_∞v

186

SiP

Silicon monophosphide

²Π

C_∞v

187

N₂

Nitrogen diatomic

188

N₂^-

nitrogen diatomic anion

²Π_g

D_∞h

189

N₂⁺

diatomic nitrogen cation

²Σ_g

D_∞h

190

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

191

HNC⁺

hydrogen isocyanide cation

192

HCP⁺

Phosphaethyne cation

193

CNH₂

Aminomethylidyne radical

²B₂

C_2v

194

H₂CN

Dihydrogen cyanide radical

²B₂

C_2v

195

HCNH

methyleneazane

²A^'

CS cis

196

N₂H₂⁺

trans-diazene cation

²A_G

C_2h

197

CH₂NH⁺

Methanimine cation

198

CHNH₂⁺

Aminocarbene cation

199

N₂H₄⁺

hydrazine cation

²A_G

C_2h

200

CH₃NH₂⁺

methyl amine cation

²A^'

C_s

201

CH₃NH₃

methyl ammonium radical

²A₁

C_3v

202

LiO

lithium oxide

²Σ

C_∞v

203

LiS

Lithium monosulfide

²Π

C_∞v

204

LiS⁺

Lithium sulfide cation

³Σ

C_∞v

205

NaO

sodium monoxide

²Σ

C_∞v

206

Potassium monoxide

²Σ

C_∞v

207

KO⁺

Potassium monoxide cation

³Σ

C_∞v

208

NaS

Sodium sulfide

²Π

C_∞v

209

LiSe

Lithium monoselenide

210

BeO⁺

Beryllium monoxide cation

²Π

C_∞v

211

boron monoxide

²Σ

C_∞v

212

ScO

Scandium monoxide

²Σ

C_∞v

213

GaO

Gallium monoxide

²Σ

C_∞v

214

GaS

Gallium monosulfide

215

Carbon monoxide

³Π

C_∞v

216

CO^-

carbon monoxide anion

²Π

C_∞v

217

CO⁺

carbon monoxide cation

²Σ

C_∞v

218

TiO

Titanium monoxide

³Δ

C_∞v

219

GeO⁺

Germanium monoxide cation

²Σ

C_∞v

220

SiSe⁺

Silicon Monoselenide cation

221

Nitric oxide

²Π

C_∞v

222

NO^-

nitric oxide anion

³Σ

C_∞v

223

Mononitrogen monosulfide

²Π

C_∞v

224

NS^-

nitrogen sulfide anion

³Σ

C_∞v

225

Phosphorus monoxide

²Π

C_∞v

226

phosphorus sulfide

²Σ

C_∞v

227

Vanadium monoxide

⁴Σ^-

228

NSe

Nitrogen monoselenide

²Π

C_∞v

229

AsS

Arsenic monosulfide

²Π

C_∞v

230

PSe

Phosphorus monoselenide

²Π

C_∞v

231

AsSe

Arsenic monoselenide

²Π

C_∞v

232

O₂

Oxygen diatomic

³Σ_g

D_∞h

233

O₂^-

oxygen diatomic anion

²Π

D_∞h

234

O₂⁺

diatomic oxygen cation

²Π_g

D_∞h

235

Sulfur monoxide

³Σ

C_∞v

236

Sulfur monoxide

¹Σ

C_∞v

237

SO⁺

sulfur monoxide cation

²Π

C_∞v

238

S₂

Sulfur diatomic

³Σ_g

D_∞h

239

SeO

Selenium monoxide

³Σ

C_∞v

240

Se₂

Selenium diatomic

³Σ_g

D_∞h

241

BeOH

beryllium monohydroxide

²A^'

C_s

242

COH

Hydroxymethylidyne

243

HCO

Formyl radical

²A^'

C_s

244

HCO^-

formyl anion

¹A^'

C_s

245

HCO⁺

Formyl cation

¹Σ

C_∞v

246

HNO

Nitrosyl hydride

¹A^'

C_s

247

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

248

NOH

Hydroxyimidogen

³A^"

C_s

249

NOH⁺

O-protonated nitric oxide

²A^'

C_s

250

HO₂

Hydroperoxy radical

²A^"

C_s

251

HO₂⁺

Hydroperoxy cation

³A^"

C_s

252

SOH

Sulfur Hydroxide

253

SOH⁺

Sulfur Monoxide, protonated

254

HS₂

Thiosulfeno radical

²A^"

C_s

255

H₂CO^-

formaldehyde anion

²A^'

C_s

256

H₂CO^-

formaldehyde anion

257

H₂CO⁺

formaldehyde cation

²B₂

C_2v

258

H₂CS^-

thioformaldehyde anion

259

H₂CS^-

thioformaldehyde anion

260

H₂CS⁺

thioformaldehyde cation

²B₂

C_2v

261

H₂NO

nitroxide

²B₁

C_2v

262

H₂NO

nitroxide

²A^'

C_s

263

H₂S₂⁺

hydrogen disulfide cation

²B_g

C_2h

264

CH₂OH

Hydroxymethyl radical

²A

C₁

265

CH₃O⁺

Methoxy cation

³A₁

C_3v

266

NH₂OH⁺

Hydroxylamine cation

267

CH₃OH^-

Methyl alcohol anion

²A^'

C_s

268

CH₃OH⁺

Methyl alcohol cation

²A^"

C_s

269

CH₃SH⁺

Methanethiol cation

²A^"

C_s

270

NH₂OH₂⁺

protonated hydroxylamine

271

NH₃OH⁺

N-protonated hydroxylamine

272

NaF⁺

sodium fluoride cation

²Σ

C_∞v

273

LiF⁺

lithium fluoride cation

²Π

C_∞v

274

TiCl

Titanium Monochloride

⁴Σ

C_∞v

275

ZnF

Zinc monofluoride

²Σ

C_∞v

276

CaBr

Calcium monobromide

277

GaF

Gallium monofluoride

¹Σ

C_∞v

278

GaF⁺

Gallium monofluoride cation

²Σ

C_∞v

279

GaCl

Gallium monochloride

¹Σ_G

C_∞v

280

GaCl⁺

Gallium monochloride cation

²Σ

C_∞v

281

Fluoromethylidyne

²Π

C_∞v

282

SiF

silicon monofluoride

²Π

C_∞v

283

SiF^-

silicon monofluoride anion

³Σ

C_∞v

284

SiCl

Clorosilylidyne

²Π

C_∞v

285

CBr

Carbon monobromide

²Π

C_∞v

286

GeF

Germanium monofluoride

²Π

C_∞v

287

GeCl

Germanium monochloride

²Π

C_∞v

288

SiBr

Silicon monobromide

²Π

C_∞v

289

SiBr⁺

Silicon monobromide cation

290

NCl

nitrogen monochloride

³Σ

C_∞v

291

AsF

Arsenic monofluoride

³Σ

C_∞v

292

NBr

nitrogen monobromide

³Σ^-

C_∞v

293

AsCl

Arsenic monochloride

³Σ

C_∞v

294

PBr

Phosphorus monobromide

295

Oxygen monofluoride

²Π

C_∞v

296

ClO

Monochlorine monoxide

²Π

C_∞v

297

ClO⁺

chlorine monoxide cation

³Σ

C_∞v

298

Monosulfur monofluoride

²Π

C_∞v

299

SF⁺

sulfur monofluoride cation

³Σ

C_∞v

300

SCl

sulfur monochloride

²Π

C_∞v

301

SCl⁺

sulfur monochloride cation

³Σ_g

C_∞v

302

BrO

Bromine monoxide

²Π

C_∞v

303

BrO⁺

Bromine monoxide cation

304

SeF

Selenium monofluoride

²Π

C_∞v

305

SBr

Sulfur monobromide radical

306

SBr⁺

Sulfur monobromide cation

307

SeCl

Selenium monochloride

²Π

C_∞v

308

SeBr

Selenium monobromide

309

F₂^-

flourine diatomic anion

²Σ_u

D_∞h

310

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

311

ClF⁺

clorine monofluoride cation

²Π

C_∞v

312

Cl₂^-

chlorine diatomic anion

²Σ_u

D_∞h

313

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

314

Br₂^-

bromine diatomic anion

²Σ_u

D_∞h

315

Br₂⁺

bromine diatomic cation

²Π_g

D_∞h

316

HCF

Fluoromethylene

³A^"

C_s

317

HCCl

Chloromethylene

³A^"

C_s

318

CHBr

bromomethylene

³A^"

C_s

319

HOCl⁺

hypochlorous acid cation

320

HOBr⁺

Hypobromous acid cation

²A^"

C_s

321

CH₂Br

bromomethyl radical

²A^'

C_s

322

CH₂Br

bromomethyl radical

323

CH₂F

fluoromethyl radical

²A

C_s

324

CH₂Cl

chloromethyl radical

²B₁

C_2v

325

CH₃F⁺

methyl fluoride cation

326

CH₃Cl⁺

Methyl chloride cation

327

CH₃Br

methyl bromide

¹A₁

C_3v

328

Ne₂⁺

Neon diatomic cation

²Σ_u

D_∞h

329

Ar₂⁺

Argon diatomic cation

²Σ_u

D_∞h

330

Li₃

Lithium trimer

²B₂

C_2v

331

C₃

carbon trimer

¹A₁

C_2v

332

C₃H₃

cyclopropenyl radical

²A^'

C_s

333

CH₃CHCH

1-propenyl radical

²A^'

C_s

334

C₃H₇

n-Propyl radical

²A^"

C₁

335

CH₃CHCH₃

Isopropyl radical

²A

C₂

336

LiCN

lithium cyanide

¹Σ

C*V LiCN

337

KCN

Potassium cyanide

¹Σ

C_∞v

338

ZnCN

Zinc monocyanide

²Σ

C_∞v

339

ZnNC

Zinc isocyanide

²Σ

C_∞v

340

CNN

Diazocarbene

341

NCN

Cyanoimidogen

³Σ_g

D_∞h

342

N₃

azide radical

²Π_g

D_∞h

343

N₃⁺

azide cation

³Σ_g

D_∞h

344

N₃⁺

azide cation

³Σ

C_∞v

345

HCCN

cyanomethylene

³A^"

C_s

346

HCCN

cyanomethylene

347

HN₃

hydrogen azide

¹A^'

C_s

348

HN₃⁺

Hydrazoic acid cation

349

CH₃CN^-

acetonitrile anion

²E

C_3v

350

CH₃CN^-

acetonitrile anion

²A^'

C_s

351

HCNCH₂⁺

2H-Azirine cation

352

CH₂CHNH

vinylazine

²A^"

CS cis

353

CH₃CHN

methylmethaniminyl radical

²A^'

C_s

354

Li₂O⁺

dilithium oxide cation

²Π

D_∞h

355

LiO₂

Lithium dioxide

356

NaO₂

Sodium superoxide

357

CCO

Dicarbon monoxide

³Σ

C_∞v

358

NCO

isocyanato radical

²Π

C_∞v

359

N₂O^-

Nitrous oxide anion

²A^'

C_s

360

CS₂^-

Carbon disulfide anion

²A₁

C_2v

361

NO₂

Nitrogen dioxide

²A₁

C_2v

362

NO₂⁺

Nitrogen dioxide cation

¹Σ_G

D_∞h

363

NSO

sulfinyl amidogen

364

SNO

Nitrogen oxide sulfide

365

AsO₂

Aresenic dioxide

²A₁

C_2v

366

SO₂

Sulfur dioxide

¹A₁

C_2v

367

S₃^-

Sulfur trimer anion

²B₁

C_2v

368

S₃⁺

Sulfur trimer cation

²B₂

C_2v

369

SeO₂⁺

Selenium dioxide cation

²A₁

C_2v

370

HCCO

ketenyl radical

²Π

C_∞v

371

HCCO

ketenyl radical

²A^"

C_s

372

HCOO

formate neutral radical

²A^'

C_s

373

HOCO

Hydrocarboxyl radical

¹A^'

cis

374

HOCO

Hydrocarboxyl radical

¹A^'

trans

375

Be(OH)₂

Beryllium hydroxide

376

C₂H₄O⁺

ethylene oxide cation

377

CH₃CHO⁺

acetaldehyde cation

378

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

379

CH₂CH₂OH

2-hydroxy ethyl radical

²A^'

C_s

380

CH₃CHOH

1-hydroxy-ethyl radical

²A

C₁

381

CH₃SCH₃⁺

dimethyl sulfide cation

382

CuF₂

Copper difluoride

²Π_g

D_∞h

383

FCO

Carbonyl fluoride

²A^'

C_s

384

ClCO

carbonyl monochloride

²A^'

C_s

385

BF₂

Boron difluoride radical

²A₁

C_2v

386

SiF₂

Silicon difluoride

³B₁

C_2v

387

SiF₂⁺

Silicon difluoride cation

²A₁

C_2v

388

CBr₂

dibromomethylene

³B₁

C_2v

389

FOO⁺

Fluorine dioxide cation

390

OClO

Chlorine dioxide

²B₁

D_∞h

391

OClO^-

Chlorine dioxide anion

¹A^'

C_s

392

ClSO

Sulfur chloride oxide

²A^"

C_s

393

BrOO

Bromine dioxide

394

OBrO

Bromine dioxide radical

²B₁

C_2v

395

PF₂

Phosphorus difluoride

396

SF₂^-

sulfur difluoride anion

²A^'

C_s

397

HFCO⁺

formyl fluoride cation

²A^'

C_s

398

CHCl₂

dichloromethyl radical

²B₁

C_2v

399

CHCl₂

dichloromethyl radical

²A^'

C_s

400

CHF₂

difluoromethyl radical

²A

C_s

401

CHFCl

Chlorofluoromethyl radical

402

CHBr₂

dibromomethyl radical

403

CH₂CHF

Ethene, fluoro-

¹A^'

C_s

404

CH₂CH₂Cl

2-chloroethyl radical

²A^'

C_s

405

CHClCH₃

1-chloroethyl radical

²A

C₁

406

C₄

Carbon tetramer

³Σ_g

D_∞h

407

C₄H₂⁺

diacetlyene cation

²Π_g

D_∞h

408

HCCCN⁺

Cyanoacetylene cation

²Π

C_∞v

409

C₃H₃N⁺

acrylonitrile cation

²A^"

C_s

410

C₂H₂O₂

Ethanedial

¹A_g

C_2h

411

CH₃COCH₂

Acetonyl radical

²A^"

C_s

412

CH₃COCH₃^-

acetone anion

²A^'

C_s

413

ClONO

chlorine nitrite

¹A^'

CS cis

414

CF₂O⁺

Carbonic difluoride cation

415

BF₃⁺

boron trifluoride cation

416

BCl₃⁺

Boron Trichloride cation

417

CF₃^-

Trifluoromethyl anion

¹A₁

C_3v

418

CF₃⁺

Trifluoromethyl cation

¹A₁^'

D_3h

419

CF₂Cl

difluorochloromethyl radical

420

SiF₃

Silicon trifluoride radical

²A₁

C_3v

421

SiF₃⁺

Silicon trifluoride cation

¹A₁^'

D_3h

422

CFCl₂

dichlorofluoromethyl radical

423

CBr₃

tribromomethyl radical

424

NF₃

Nitrogen trifluoride

¹A₁

C_3v

425

NBr₃

Nitrogen Tribromide

¹A₁

C_3v

426

SF₃

Sulfur trifluoride

²A^'

C_s

427

C₂H₄F₂

1,2-difluoroethane

¹A_g

C2H anti

428

C₃H₃N₂

imidazolyl radical

²B₁

C_2v

429

C₄H₄N

pyrrolide radical

²A₂

C_2v

430

C₃H₄N₂

1H-Imidazole

¹A^'

C_s

431

C₆H₈

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

¹A^'

C_2h

432

C₇H₇

cycloheptatrienyl radical

²A₂

C_2v

433

PF₆

Hexafluorophosphate neutral

²B₂

C_2v

434

C₆H₅CHO

benzaldehyde

¹A^'

C_s

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 cation	h+
5	D₂	Deuterium diatomic	d2
6	H₂	Hydrogen diatomic	h2
7	HD	Deuterium hydride	hd
8	H₃⁺	hydrogen trimer cation	h3+
9	He	Helium atom	he
10	He^-	Helium atom anion	he-
11	HeH	Helium hydride	heh
12	Li^-	Lithium atom anion	li-
13	Li⁺	Lithium atom cation	li+
14	Na^-	Sodium atom anion	na-
15	Na⁺	Sodium atom cation	na+
16	K^-	Potassium atom anion	k-
17	K⁺	Potassium atom cation	k+
18	Cu	Copper atom	cu
19	Cu^-	Copper atom anion	cu-
20	Cu⁺	Copper atom cation	cu+
21	LiH	Lithium Hydride	lih
22	LiH^-	lithium hydride anion	lih-
23	NaH	sodium hydride	nah
24	NaH^-	sodium hydride anion	nah-
25	CuH	Copper monohydride	cuh
26	Be	Beryllium atom	be
27	Be^-	Beryllium atom anion	be-
28	Mg	Magnesium atom	mg
29	Mg^-	Magnesium atom anion	mg-
30	Ca	Calcium atom	ca
31	Ca^-	Calcium atom anion	ca-
32	Ca⁺	Calcium atom cation	ca+
33	Zn	Zinc atom	zn
34	Zn^-	Zinc atom anion	zn-
35	Zn⁺	Zinc atom cation	zn+
36	BeH^-	berylium monohydride anion	beh-
37	BeH⁺	beryllium monohydride cation	beh+
38	MgH^-	magnesium monohydride anion	mgh-
39	MgH⁺	magnesium monohydride cation	mgh+
40	CaH⁺	Calcium monohydride cation	cah+
41	ZnH	Zinc monohydride	znh
42	ZnH⁺	Zinc, protonated	znh+
43	BeH₂	beryllium dihydride	beh2
44	MgH₂	magnesium dihydride	mgh2
45	CaH₂	Calcium Hydride	cah2
46	ZnH₂	Zinc hydride	znh2
47	B^-	Boron atom anion	b-
48	BH	Boron monohydride	bh
49	BH^-	boron monohydride anion	bh-
50	BH⁺	boron monohydride cation	bh+
51	AlH	aluminum monohydride	alh
52	AlH^-	aluminum monohydride anion	alh-
53	AlH⁺	aluminum monohydride cation	alh+
54	ScH	Scandium monohydride	sch
55	GaH	Gallium monohydride	gah
56	BH₂	boron dihydride	bh2
57	BH₂⁺	Boron dihydride cation	bh2+
58	AlH₂	aluminum dihydride	alh2
59	AlH₂^-	aluminum dihydride anion	alh2-
60	AlH₂⁺	aluminum dihydride cation	alh2+
61	BH₃	boron trihydride	bh3
62	BH₃^-	boron trihydride anion	bh3-
63	AlH₃	aluminum trihydride	alh3
64	AlH₃⁺	aluminum trihydride cation	alh3+
65	GaH₃	Gallium trihydride	gah3
66	AlH₄^-	Aluminum tetrahydride anion	alh4-
67	C^-	Carbon atom anion	c-
68	Si⁺	Silicon atom cation	si+
69	Ti	Titanium atom	ti
70	Ti^-	Titanium atom anion	ti-
71	Ti⁺	Titanium atom cation	ti+
72	Ge⁺	Germanium cation	ge+
73	Sn	Tin atom	sn
74	Sn⁺	Tin cation	sn+
75	CH^-	methylidyne anion	ch-
76	CH⁺	Methylidyne cation	ch+
77	SiH⁺	silicon monohydride cation	sih+
78	GeH⁺	Germaniun monohyrdide cation	geh+
79	SiH₂	silicon dihydride	sih2
80	SiH₂^-	silicon dihydride anion	sih2-
81	SiH₂⁺	silicon dihydride cation	sih2+
82	GeH₂	germylene	geh2
83	CH₃^-	methyl anion	ch3-
84	CH₃⁺	methyl cation	ch3+
85	SiH₃^-	Silyl anion	sih3-
86	CD₄	methane-d4	cd4
87	CH₂D₂	methane-d2	ch2d2
88	CH₃D	methane-d	ch3d
89	CH₄	Methane	ch4
90	CH₄^-	Methane anion	ch4-
91	CH₄⁺	Methane cation	ch4+
92	CHD₃	methane-d3	chd3
93	SiH₂D₂	silane-d2	sih2d2
94	SiH₄	Silane	sih4
95	SiH₄⁺	Silane cation	sih4+
96	GeH₄	Germane	geh4
97	SnH₄	Stannane	snh4
98	SiH₅⁺	Silane, protonated	sih5+
99	N^-	Nitrogen atom anion	n-
100	P^-	Phosphorus atom anion	p-
101	P⁺	Phosphorus atom cation	p+
102	Sb	Antimony atom	sb
103	NH	Imidogen	nh
104	NH^-	Imidogen anion	nh-
105	NH⁺	imidogen cation	nh+
106	PH^-	phosphorus monohydride anion	ph-
107	PH⁺	phosphorus monohydride cation	ph+
108	AsH⁺	Arsenic monohydride cation	ash+
109	SbH	Antimony monohydride	sbh
110	ND₂	Amidogen-d2	nd2
111	NH₂^-	amino anion	nh2-
112	PH₂	Phosphino radical	ph2
113	PH₂^-	Phosphino anion	ph2-
114	PH₂⁺	Phosphino cation	ph2+
115	AsH₂	Arsenic dihydride	ash2
116	AsH₂⁺	Arsenic dihydride cation	ash2+
117	ND₃	Ammonia-d3	nd3
118	NH₃	Ammonia	nh3
119	PH₃	Phosphine	ph3
120	AsH₃	Arsine	ash3
121	SbH₃	Stibine	sbh3
122	AsH₄⁺	Arsonium	ash4+
123	NH₄⁺	ammonium cation	nh4+
124	PH₄⁺	phosphonium cation	ph4+
125	O^-	Oxygen atom anion	o-
126	Cr	Chromium atom	cr
127	Te	Tellurium atom	te
128	Te⁺	Tellurium atom cation	te+
129	DO	Hydroxyl-d	od
130	DS	Mercapto-d	ds
131	HSe^-	selenium monohydride anion	hse-
132	TeH	Telluryl radical	teh
133	D₂O	Deuterium oxide	d2o
134	H₂O	Water	h2o
135	HDO	Water-d1	hdo
136	D₂S	Hydrogen sulfide-d2	d2s
137	H₂S	Hydrogen sulfide	h2s
138	H₂Te	Hydrogen Telluride	h2te
139	H₃O⁺	hydronium cation	h3o+
140	H₃Se⁺	Hydrogen Selenide, protonated	h3se+
141	Cl^-	Chlorine atom anion	cl-
142	Mn	Manganese atom	mn
143	I	Iodine atom	iodine
144	I^-	Iodine atom anion	iodine-
145	I⁺	Iodine atom cation	iodine+
146	DF	Hydrofluoric acid-d	df
147	HF	Hydrogen fluoride	hf
148	DCl	Hydrochloric acid-d	dcl
149	HCl	Hydrogen chloride	hcl
150	HBr	hydrogen bromide	hbr
151	HI	Hydrogen iodide	hi
152	HI⁺	Hydrogen iodide cation	hi+
153	H₂F⁺	dihydrogen fluoride cation	h2f+
154	H₂Br⁺	protonated hydrogen bromide	h2br+
155	H₂I⁺	Iodonium	h2i+
156	Ne	Neon atom	ne
157	Ne^-	Neon atom anion	ne-
158	Ar	Argon atom	ar
159	Ar^-	Argon atom anion	ar-
160	Ar⁺	Argon atom cation	ar+
161	Fe	Iron atom	fe
162	Xe	Xenon atom	xe
163	HeLi⁺	Helium Lithium cation	heli+
164	NeH⁺	neon hydrogen cation	neh+
165	ArH⁺	Argon hydride cation	arh+
166	KrH⁺	Protonated Krypton	krh+
167	XeH⁺	Xenon, protonated	xeh+
168	H₂Ar	H2 Ar dimer	h2ar
169	Co	Cobalt atom	cobalt
170	Ni	Nickel atom	ni
171	Li₂	Lithium diatomic	li2
172	Li₂^-	lithium diatomic anion	li2-
173	NaLi	lithium sodium	lina
174	NaLi^-	lithium sodium anion	lina-
175	NaLi⁺	lithium sodium cation	lina+
176	LiK	Lithium Potassium	lik
177	Na₂	Sodium diatomic	na2
178	NaK	Sodium Potassium	nak
179	K₂	Potassium diatomic	k2
180	Cu₂	Copper diatomic	cu2
181	Be₂	Beryllium diatomic	be2
182	Be₂^-	Beryllium diatomic anion	be2-
183	Be₂⁺	Beryllium diatomic cation	be2+
184	BeMg	Beryllium Magnesium	bemg
185	Mg₂	Magnesium diatomic	mg2
186	Mg₂^-	magnesium diatomic anion	mg2-
187	Mg₂⁺	magnesium diatomic cation	mg2+
188	Ca₂	Calcium diatomic	ca2
189	LiAl	Lithium Aluminum	lial
190	B₂^-	Boron diatomic anion	b2-
191	Al₂	Aluminum diatomic	al2
192	Al₂^-	aluminum diatomic anion	al2-
193	Al₂⁺	aluminum diatomic cation	al2+
194	LiBH₄	Lithium borohydride	libh4
195	B₂H₄	Diborane(4) D2d	b2h4
196	HBHHBH	Diborane(4) C2V	hbhhbh
197	B₂H₆	Diborane	b2h6
198	Al₂H₆	dialane	al2h6
199	Ga₂H₆	digallane	ga2h6
200	BC^-	boron monocarbide anion	bc-
201	BC⁺	boron monocarbide cation	bc+
202	C₂	Carbon diatomic	c2
203	C₂^-	carbon diatomic anion	c2-
204	SiC^-	silicon monocarbide anion	sic-
205	SiC⁺	silicon monocarbide cation	sic+
206	Si₂	Silicon diatomic	si2
207	Si₂^-	silcon diatomic anion	si2-
208	Si₂⁺	silcon diatomic cation	si2+
209	C₂H^-	Ethynyl anion	c2h-
210	C₂H⁺	Ethynyl cation	c2h+
211	ZnCH₂	Zinc methylene	znch2
212	C₂H₂	Acetylene	c2h2
213	CCH₂	vinylidene	vinylidene
214	Si₂H₂	disilyne	si2h2
215	CH₃Li	methyl lithium	ch3li
216	CuCH₃	monomethyl copper	cuch3
217	ZnCH₃	Zinc monomethyl	znch3
218	CH₂BH	methyleneborane	ch2bh
219	C₂H₃^-	vinyl anion	c2h3-
220	C₂H₃⁺	vinyl cation	c2h3+
221	C₂H₄	Ethylene	c2h4
222	CH₃CH	methylmethylene	ch3ch
223	CH₂SiH₂	silaethylene	ch2sih2
224	Si₂H₄	Disilene	si2h4
225	CH₃BH₂	methylborane	ch3bh2
226	C₂H₅^-	Ethyl anion	c2h5-
227	C₂H₅⁺	Ethyl cation	c2h5+
228	C₂H₆	Ethane	c2h6
229	CH₃SiH₃	methyl silane	ch3sih3
230	Si₂H₆	disilane	si2h6
231	GeH₃CH₃	methyl germane	geh3ch3
232	C₂H₇⁺	Ethane, protonated	c2h7+
233	LiN⁺	Lithium Nitride cation	lin+
234	BeN^-	Beryllium mononitride anion	ben-
235	BeN⁺	Beryllium mononitride cation	ben+
236	BN^-	boron nitride anion	bn-
237	AlN^-	aluminum mononitride anion	aln-
238	AlN⁺	aluminum mononitride cation	aln+
239	BN⁺	boron nitride cation	bn+
240	AlN	Aluminum nitride	aln
241	CN^-	cyanide anion	cn-
242	CN⁺	Cyano cation	cn+
243	CP	Carbon monophosphide	cp
244	CP^-	carbon monophosphide anion	cp-
245	CP⁺	carbon monophosphide cation	cp+
246	SiN	Silicon nitride	sin
247	SiN^-	silicon mononitride anion	sin-
248	SiN⁺	silicon mononitride cation	sin+
249	SiP^-	Silicon monophosphide anion	sip-
250	SiP⁺	Silicon monophosphide cation	sip+
251	TiN	Titanium mononitride	tin
252	N₂	Nitrogen diatomic	n2
253	PN	Phosphorus mononitride	pn
254	PN^-	phosphorus nitride anion	pn-
255	PN⁺	phosphorus nitride cation	pn+
256	P₂	Phosphorus diatomic	p2
257	P₂^-	phosphorus diatomic anion	p2-
258	P₂⁺	phosphorus diatomic cation	p2+
259	AsN	Arsenic mononitride	asn
260	AsP	Arsenic monophosphide	asp
261	SbN	Antimony nitride	sbn
262	As₂	Arsenic diatomic	as2
263	HNB	hydrogen nitrogen boron	hnb
264	HNC	hydrogen isocyanide	hnc
265	HCN	Hydrogen cyanide	hcn
266	HCN^-	Hydrogen cyanide anion	hcn-
267	HCP	Phosphaethyne	hcp
268	NNH	Dinitrogen monohydride	nnh
269	NNH⁺	Dinitrogen monohydride cation	nnh+
270	HPO	Hydrogen phosphorus oxide	hpo
271	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
272	LiNH₂	lithium amide	linh2
273	HBNH	Boranimine	hbnh
274	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
275	H₂CN⁺	hydrocyanonium cation	h2cn+
276	HCNH⁺	N-protonated HCN	hcnh+
277	H₂NN	Isodiazene	h2nn
278	N₂H₂	(E)-diazene	n2h2
279	N₂H₂	(Z)-Diazene	n2h2z
280	CH₂NH	Methanimine	ch3n
281	CHNH₂	aminomethylene	chnh2
282	CH₂PH	Phosphaethene	ch3p
283	BH₂NH₂	Boranamine	bh2nh2
284	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
285	N₂H₄	Hydrazine	n2h4
286	P₂H₄	Diphosphine	p2h4
287	CH₃NH₂	methyl amine	ch3nh2
288	CH₃PH₂	Methyl phosphine	ch3ph2
289	SiH₃NH₂	Silane, amino	sih3nh2
290	N₂H₅⁺	protonated hydrazine	n2h5+
291	BH₃PH₃	borane phosphine	bh3ph3
292	BH₃NH₃	borane ammonia	bh3nh3
293	CH₃NH₃⁺	protonated methylamine	ch3nh3+
294	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
295	NH₃NH₃	Ammonia Dimer	nh3nh3
296	N₂H₇⁺	ammonia ammonium dimer	n2h7+
297	LiO^-	lithium oxide anion	lio-
298	LiO⁺	lithium oxide cation	lio+
299	NaO^-	sodium oxide anion	nao-
300	NaO⁺	sodium oxide cation	nao+
301	CuO	Copper Monoxide	cuo
302	BeO	beryllium oxide	beo
303	BeO^-	Beryllium monoxide anion	beo-
304	BeS	beryllium sulfide	bes
305	MgO	magnesium oxide	mgo
306	MgO^-	magnesium oxide anion	mgo-
307	MgO⁺	magnesium oxide cation	mgo+
308	CaO	Calcium monoxide	cao
309	MgS	magnesium sulfide	mgs
310	MgS^-	magnesium sulfide anion	mgs-
311	MgS⁺	magnesium sulfide cation	mgs+
312	CaS	Calcium sulfide	cas
313	ZnO	zinc monoxide	zno
314	ZnS	Zinc sulfide	zns
315	BeS^-	Beryllium monosulfide anion	bes-
316	BeS⁺	Beryllium monosulfide cation	bes+
317	BO^-	boron monoxide anion	bo-
318	AlO	Aluminum monoxide	alo
319	AlO^-	Aluminum monoxide anion	alo-
320	AlO⁺	aluminum monoxide cation	alo+
321	BS	boron sulfide	bs
322	BS^-	boron monosulfide anion	bs-
323	BS⁺	boron monosulfide cation	bs+
324	AlS	Aluminum sulfide	als
325	AlS^-	aluminum monosulfide anion	als-
326	AlS⁺	aluminum monosulfide cation	als+
327	BO⁺	boron monoxide cation	bo+
328	CO	Carbon monoxide	co
329	CS	carbon monosulfide	cs
330	CS^-	carbon monosulfide anion	cs-
331	CS⁺	carbon monosulfide cation	cs+
332	SiO	Silicon monoxide	sio
333	SiO^-	silicon monoxide anion	sio-
334	SiO⁺	silicon monoxide cation	sio+
335	SiS	silicon monosulfide	sis
336	SiS^-	silicon monosulfide anion	sis-
337	SiS⁺	silicon monosulfide cation	sis+
338	CSe	Carbon monoselenide	cse
339	CSe^-	Carbon monoselenide anion	cse-
340	CSe⁺	Carbon monoselenide cation	cse+
341	GeO	Germanium monoxide	geo
342	GeS	Germanium monosulfide	ges
343	SiSe	Silicon Monoselenide	sise
344	GeSe	Germanium monoselenide	gese
345	NO⁺	nitric oxide cation	no+
346	NS⁺	nitrogen sulfide cation	ns+
347	PO^-	phosphorus monoxide anion	po-
348	PO⁺	phosphorus monoxide cation	po+
349	PS^-	phosphorus monosulfide anion	ps-
350	PS⁺	phosphorus monosulfide cation	ps+
351	AsO	Arsenic monoxide	aso
352	O₂^--	dioxygen dianion	o2--
353	SO^-	sulfur monoxide anion	so-
354	S₂^-	sulfur diatomic anion	s2-
355	S₂⁺	sulfur diatomic cation	s2+
356	SeO^-	selenium monoxide anion	seo-
357	SeO⁺	selenium monoxide cation	seo+
358	SeS	Selenium monosulfide	ses
359	SeS^-	selenium monosulfide anion	ses-
360	SeS⁺	selenium monosulfide cation	ses+
361	TeO	Tellurium monoxide	teo
362	Se₂^-	selenium diatomic anion	se2-
363	Se₂⁺	selenium diatomic cation	se2+
364	Te₂	Tellurium diatomic	te2
365	LiOH	lithium hydroxide	lioh
366	NaOH	sodium hydroxide	naoh
367	KOH	Potassium hydroxide	koh
368	MgOH	magnesium hydroxide	mgoh
369	CaOH	Calcium monohydroxide	caoh
370	HBO	Boron hydride oxide	hbo
371	HBS	hydrogen boron sulfide	hbs
372	COH⁺	Carbon Monoxide, protonated	coh+
373	HCS	Thioformyl radical	hcs
374	HCS^-	Thioformyl anion	hcs-
375	HCS⁺	Thioformyl cation	hcs+
376	HNO^-	Nitrosyl hydride anion	hno-
377	HNS	Sulfur imide	hns
378	HNS^-	Sulfur imide anion	hns-
379	HO₂^-	Hydroperoxy anion	ho2-
380	HSO⁺	Sulfur Monoxide, S-protonated	HSO+
381	H₂CO	Formaldehyde	h2co
382	HOCH	hydroxycarbene	hoch
383	H₂CS	Thioformaldehyde	h2cs
384	H₂CSe	Selenoformaldehyde	h2cse
385	H₂O₂	Hydrogen peroxide	h2o2
386	H₂OO	water oxide	h2oo
387	HOSH	hydrogen thioperoxide	hosh
388	H₂S₂	Disulfane	h2s2
389	H₂Se₂	hydrogen diselenide	h2se2
390	CH₂OH⁺	hydroxymethyl cation	ch2oh+
391	CH₃O	Methoxy radical	ch3o
392	CH₃O^-	methoxy anion	ch3o-
393	CH₃S	thiomethoxy	ch3s
394	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
395	NH₂OH	hydroxylamine	nh2oh
396	NH₃O	Ammonia Oxide	nh3o
397	H₂POH	Phosphinous acid	h2poh
398	H₃PO	Phosphine oxide	h3po
399	NH₂SH	Thiohydroxylamine	nh2sh
400	NH₃S	sulfidoazane	nh3s
401	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
402	CH₃OH	Methyl alcohol	ch3oh
403	CH₃SH	Methanethiol	ch3sh
404	SiH₃OH	silanol	sih3oh
405	CH₃SeH	Methane selenol	ch3seh
406	H₂OH₂O	water dimer	h2oh2o
407	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
408	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
409	H₂ONH₃	Water Ammonia Dimer	h2onh3
410	H₅O₂⁺	Dihydroxonium ion	h5o2+
411	LiF	lithium fluoride	lif
412	LiCl	lithium chloride	licl
413	LiCl^-	lithium chloride anion	licl-
414	LiCl⁺	lithium chloride cation	licl+
415	NaF	sodium fluoride	naf
416	NaF^-	sodium fluoride anion	naf-
417	KF	Potassium Fluoride	kf
418	NaCl	Sodium Chloride	nacl
419	NaCl^-	sodium chloride anion	nacl-
420	NaCl⁺	sodium chloride cation	nacl+
421	KCl	Potassium Chloride	kcl
422	CuF	Copper monofluoride	cuf
423	LiBr	Lithium Bromide	libr
424	LiBr^-	lithium bromide anion	libr-
425	LiBr⁺	lithium bromide cation	libr+
426	CuCl	Copper monochloride	cucl
427	NaBr	Sodium Bromide	nabr
428	NaBr^-	sodium bromide anion	nabr-
429	NaBr⁺	sodium bromide cation	nabr+
430	KBr	Potassium Bromide	kbr
431	LiI	Lithium Iodide	lii
432	NaI	Sodium Iodide	nai
433	KI	Potassium Iodide	ki
434	LiF^-	lithium fluoride anion	lif-
435	BeF	Beryllium monofluoride	bef
436	BeF^-	Beryllium monofluoride anion	bef-
437	BeF⁺	Beryllium monofluoride cation	bef+
438	BeCl	beryllium monochloride	becl
439	MgF	Magnesium monofluoride	mgf
440	MgF^-	magnesium fluoride anion	mgf-
441	MgF⁺	magnesium fluoride cation	mgf+
442	CaF	Calcium monofluoride	caf
443	MgCl	magnesium monochloride	mgcl
444	MgCl^-	magnesium monochloride anion	mgcl-
445	MgCl⁺	magnesium monochloride cation	mgcl+
446	CaCl	calcium monochloride	cacl
447	ZnF^-	Zinc monofluoride anion	znf-
448	ZnF⁺	Zinc monofluoride cation	znf+
449	ZnCl	Zinc monochloride	zncl
450	BeCl^-	beryllium monochloride anion	becl-
451	BeCl⁺	beryllium monochloride cation	becl+
452	BF	Boron monofluoride	bf
453	BF^-	Boron monofluoride anion	bf-
454	BF⁺	Boron monofluoride cation	bf+
455	AlF	Aluminum monofluoride	alf
456	AlF^-	Aluminum monofluoride anion	alf-
457	AlF⁺	Aluminum monofluoride cation	alf+
458	BCl	boron monochloride	bcl
459	BCl^-	boron monochloride anion	bcl-
460	BCl⁺	boron monochloride cation	bcl+
461	AlCl	Aluminum monochloride	alcl
462	AlCl^-	aluminum monochloride anion	alcl-
463	AlCl⁺	aluminum monochloride cation	alcl+
464	ScF	Scandium monofluoride	scf
465	BBr	Boron monobromide	bbr
466	AlBr	Aluminum monobromide	albr
467	AlI	Aluminum monoiodide	ali
468	GaBr	Gallium monobromide	gabr
469	CF^-	carbon monofluoride anion	cf-
470	CF⁺	carbon monofluoride cation	cf+
471	CCl	carbon monochloride	ccl
472	CCl^-	carbon monochloride anion	ccl-
473	CCl⁺	carbon monochloride cation	ccl+
474	SiF⁺	silicon monofluoride cation	sif+
475	SiCl^-	silicon monochloride anion	sicl-
476	SiCl⁺	silicon monochloride cation	sicl+
477	GeF⁺	Germanium monofluoride cation	gef+
478	GeCl⁺	Germanium monochloride cation	gecl+
479	NF	nitrogen fluoride	nf
480	NF^-	nitrogen monofluorine anion	nf-
481	NF⁺	nitrogen monofluoirde cation	nf+
482	NCl^-	nitrogen monochloride anion	ncl-
483	NCl⁺	nitrogen monochloride cation	ncl+
484	PF	phosphorus monofluoride	pf
485	PF^-	phosphorus monofluoride anion	pf-
486	PF⁺	phosphorus monofluoride cation	pf+
487	PCl	phosphorus chloride	pcl
488	PCl^-	phosphorus monochloride anion	pcl-
489	PCl⁺	phosphorus monochloride cation	pcl+
490	SbF	Antimony monofluoride	sbf
491	SbCl	Antimony monochloride	sbcl
492	FO^-	flourine oxide anion	fo-
493	FO⁺	fluorine monoxide cation	fo+
494	ClO^-	chlorine monoxide anion	clo-
495	SF^-	sulfur monofluoride anion	sf-
496	SCl^-	sulfur monochloride anion	scl-
497	BrO^-	Bromine monoxide anion	bro-
498	IO	Iodine monoxide	io
499	BrCl	Bromine monochloride	brcl
500	F₂	Fluorine diatomic	f2

count

Species

Name

file name

problem

Deuterium atom

D^-

Deuterium atom anion

D⁺

Deuterium atom cation

H⁺

Hydrogen atom cation

D₂

Deuterium diatomic

H₂

Hydrogen diatomic

Deuterium hydride

H₃⁺

hydrogen trimer cation

h3+

Helium atom

He^-

Helium atom anion

he-

HeH

Helium hydride

heh

Li^-

Lithium atom anion

li-

Li⁺

Lithium atom cation

li+

Na^-

Sodium atom anion

na-

Na⁺

Sodium atom cation

na+

K^-

Potassium atom anion

K⁺

Potassium atom cation

Copper atom

Cu^-

Copper atom anion

cu-

Cu⁺

Copper atom cation

cu+

LiH

Lithium Hydride

lih

LiH^-

lithium hydride anion

lih-

NaH

sodium hydride

nah

NaH^-

sodium hydride anion

nah-

CuH

Copper monohydride

cuh

Beryllium atom

Be^-

Beryllium atom anion

be-

Magnesium atom

Mg^-

Magnesium atom anion

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 cation

cah+

ZnH

Zinc monohydride

znh

ZnH⁺

Zinc, protonated

znh+

BeH₂

beryllium dihydride

beh2

MgH₂

magnesium dihydride

mgh2

CaH₂

Calcium Hydride

cah2

ZnH₂

Zinc hydride

znh2

B^-

Boron atom anion

Boron monohydride

BH^-

boron monohydride anion

bh-

BH⁺

boron monohydride cation

bh+

AlH

aluminum monohydride

alh

AlH^-

aluminum monohydride anion

alh-

AlH⁺

aluminum monohydride cation

alh+

ScH

Scandium monohydride

sch

GaH

Gallium monohydride

gah

BH₂

boron dihydride

bh2

BH₂⁺

Boron dihydride cation

bh2+

AlH₂

aluminum dihydride

alh2

AlH₂^-

aluminum dihydride anion

alh2-

AlH₂⁺

aluminum dihydride cation

alh2+

BH₃

boron trihydride

bh3

BH₃^-

boron trihydride anion

bh3-

AlH₃

aluminum trihydride

alh3

AlH₃⁺

aluminum trihydride cation

alh3+

GaH₃

Gallium trihydride

gah3

AlH₄^-

Aluminum tetrahydride anion

alh4-

C^-

Carbon atom anion

Si⁺

Silicon atom cation

si+

Titanium atom

Ti^-

Titanium atom anion

ti-

Ti⁺

Titanium atom cation

ti+

Ge⁺

Germanium cation

ge+

Tin atom

Sn⁺

Tin cation

sn+

CH^-

methylidyne anion

ch-

CH⁺

Methylidyne cation

ch+

SiH⁺

silicon monohydride cation

sih+

GeH⁺

Germaniun monohyrdide cation

geh+

SiH₂

silicon dihydride

sih2

SiH₂^-

silicon dihydride anion

sih2-

SiH₂⁺

silicon dihydride cation

sih2+

GeH₂

germylene

geh2

CH₃^-

methyl anion

ch3-

CH₃⁺

methyl cation

ch3+

SiH₃^-

Silyl anion

sih3-

CD₄

methane-d4

cd4

CH₂D₂

methane-d2

ch2d2

CH₃D

methane-d

ch3d

CH₄

Methane

ch4

CH₄^-

Methane anion

ch4-

CH₄⁺

Methane cation

ch4+

CHD₃

methane-d3

chd3

SiH₂D₂

silane-d2

sih2d2

SiH₄

Silane

sih4

SiH₄⁺

Silane cation

sih4+

GeH₄

Germane

geh4

SnH₄

Stannane

snh4

SiH₅⁺

Silane, protonated

sih5+

N^-

Nitrogen atom anion

100

P^-

Phosphorus atom anion

101

P⁺

Phosphorus atom cation

102

Antimony atom

103

Imidogen

104

NH^-

Imidogen anion

nh-

105

NH⁺

imidogen cation

nh+

106

PH^-

phosphorus monohydride anion

ph-

107

PH⁺

phosphorus monohydride cation

ph+

108

AsH⁺

Arsenic monohydride cation

ash+

109

SbH

Antimony monohydride

sbh

110

ND₂

Amidogen-d2

nd2

111

NH₂^-

amino anion

nh2-

112

PH₂

Phosphino radical

ph2

113

PH₂^-

Phosphino anion

ph2-

114

PH₂⁺

Phosphino cation

ph2+

115

AsH₂

Arsenic dihydride

ash2

116

AsH₂⁺

Arsenic dihydride cation

ash2+

117

ND₃

Ammonia-d3

nd3

118

NH₃

Ammonia

nh3

119

PH₃

Phosphine

ph3

120

AsH₃

Arsine

ash3

121

SbH₃

Stibine

sbh3

122

AsH₄⁺

Arsonium

ash4+

123

NH₄⁺

ammonium cation

nh4+

124

PH₄⁺

phosphonium cation

ph4+

125

O^-

Oxygen atom anion

126

Chromium atom

127

Tellurium atom

128

Te⁺

Tellurium atom cation

te+

129

Hydroxyl-d

130

Mercapto-d

131

HSe^-

selenium monohydride anion

hse-

132

TeH

Telluryl radical

teh

133

D₂O

Deuterium oxide

d2o

134

H₂O

Water

h2o

135

HDO

Water-d1

hdo

136

D₂S

Hydrogen sulfide-d2

d2s

137

H₂S

Hydrogen sulfide

h2s

138

H₂Te

Hydrogen Telluride

h2te

139

H₃O⁺

hydronium cation

h3o+

140

H₃Se⁺

Hydrogen Selenide, protonated

h3se+

141

Cl^-

Chlorine atom anion

cl-

142

Manganese atom

143

Iodine atom

iodine

144

I^-

Iodine atom anion

iodine-

145

I⁺

Iodine atom cation

iodine+

146

Hydrofluoric acid-d

147

Hydrogen fluoride

148

DCl

Hydrochloric acid-d

dcl

149

HCl

Hydrogen chloride

hcl

150

HBr

hydrogen bromide

hbr

151

Hydrogen iodide

152

HI⁺

Hydrogen iodide cation

hi+

153

H₂F⁺

dihydrogen fluoride cation

h2f+

154

H₂Br⁺

protonated hydrogen bromide

h2br+

155

H₂I⁺

Iodonium

h2i+

156

Neon atom

157

Ne^-

Neon atom anion

ne-

158

Argon atom

159

Ar^-

Argon atom anion

ar-

160

Ar⁺

Argon atom cation

ar+

161

Iron atom

162

Xenon atom

163

HeLi⁺

Helium Lithium cation

heli+

164

NeH⁺

neon hydrogen cation

neh+

165

ArH⁺

Argon hydride cation

arh+

166

KrH⁺

Protonated Krypton

krh+

167

XeH⁺

Xenon, protonated

xeh+

168

H₂Ar

H2 Ar dimer

h2ar

169

Cobalt atom

cobalt

170

Nickel atom

171

Li₂

Lithium diatomic

li2

172

Li₂^-

lithium diatomic anion

li2-

173

NaLi

lithium sodium

lina

174

NaLi^-

lithium sodium anion

lina-

175

NaLi⁺

lithium sodium cation

lina+

176

LiK

Lithium Potassium

lik

177

Na₂

Sodium diatomic

na2

178

NaK

Sodium Potassium

nak

179

K₂

Potassium diatomic

180

Cu₂

Copper diatomic

cu2

181

Be₂

Beryllium diatomic

be2

182

Be₂^-

Beryllium diatomic anion

be2-

183

Be₂⁺

Beryllium diatomic cation

be2+

184

BeMg

Beryllium Magnesium

bemg

185

Mg₂

Magnesium diatomic

mg2

186

Mg₂^-

magnesium diatomic anion

mg2-

187

Mg₂⁺

magnesium diatomic cation

mg2+

188

Ca₂

Calcium diatomic

ca2

189

LiAl

Lithium Aluminum

lial

190

B₂^-

Boron diatomic anion

b2-

191

Al₂

Aluminum diatomic

al2

192

Al₂^-

aluminum diatomic anion

al2-

193

Al₂⁺

aluminum diatomic cation

al2+

194

LiBH₄

Lithium borohydride

libh4

195

B₂H₄

Diborane(4) D2d

b2h4

196

HBHHBH

Diborane(4) C2V

hbhhbh

197

B₂H₆

Diborane

b2h6

198

Al₂H₆

dialane

al2h6

199

Ga₂H₆

digallane

ga2h6

200

BC^-

boron monocarbide anion

bc-

201

BC⁺

boron monocarbide cation

bc+

202

C₂

Carbon diatomic

203

C₂^-

carbon diatomic anion

c2-

204

SiC^-

silicon monocarbide anion

sic-

205

SiC⁺

silicon monocarbide cation

sic+

206

Si₂

Silicon diatomic

si2

207

Si₂^-

silcon diatomic anion

si2-

208

Si₂⁺

silcon diatomic cation

si2+

209

C₂H^-

Ethynyl anion

c2h-

210

C₂H⁺

Ethynyl cation

c2h+

211

ZnCH₂

Zinc methylene

znch2

212

C₂H₂

Acetylene

c2h2

213

CCH₂

vinylidene

214

Si₂H₂

disilyne

si2h2

215

CH₃Li

methyl lithium

ch3li

216

CuCH₃

monomethyl copper

cuch3

217

ZnCH₃

Zinc monomethyl

znch3

218

CH₂BH

methyleneborane

ch2bh

219

C₂H₃^-

vinyl anion

c2h3-

220

C₂H₃⁺

vinyl cation

c2h3+

221

C₂H₄

Ethylene

c2h4

222

CH₃CH

methylmethylene

ch3ch

223

CH₂SiH₂

silaethylene

ch2sih2

224

Si₂H₄

Disilene

si2h4

225

CH₃BH₂

methylborane

ch3bh2

226

C₂H₅^-

Ethyl anion

c2h5-

227

C₂H₅⁺

Ethyl cation

c2h5+

228

C₂H₆

Ethane

c2h6

229

CH₃SiH₃

methyl silane

ch3sih3

230

Si₂H₆

disilane

si2h6

231

GeH₃CH₃

methyl germane

geh3ch3

232

C₂H₇⁺

Ethane, protonated

c2h7+

233

LiN⁺

Lithium Nitride cation

lin+

234

BeN^-

Beryllium mononitride anion

ben-

235

BeN⁺

Beryllium mononitride cation

ben+

236

BN^-

boron nitride anion

bn-

237

AlN^-

aluminum mononitride anion

aln-

238

AlN⁺

aluminum mononitride cation

aln+

239

BN⁺

boron nitride cation

bn+

240

AlN

Aluminum nitride

aln

241

CN^-

cyanide anion

cn-

242

CN⁺

Cyano cation

cn+

243

Carbon monophosphide

244

CP^-

carbon monophosphide anion

cp-

245

CP⁺

carbon monophosphide cation

cp+

246

SiN

Silicon nitride

sin

247

SiN^-

silicon mononitride anion

sin-

248

SiN⁺

silicon mononitride cation

sin+

249

SiP^-

Silicon monophosphide anion

sip-

250

SiP⁺

Silicon monophosphide cation

sip+

251

TiN

Titanium mononitride

tin

252

N₂

Nitrogen diatomic

253

Phosphorus mononitride

254

PN^-

phosphorus nitride anion

pn-

255

PN⁺

phosphorus nitride cation

pn+

256

P₂

Phosphorus diatomic

257

P₂^-

phosphorus diatomic anion

p2-

258

P₂⁺

phosphorus diatomic cation

p2+

259

AsN

Arsenic mononitride

asn

260

AsP

Arsenic monophosphide

asp

261

SbN

Antimony nitride

sbn

262

As₂

Arsenic diatomic

as2

263

HNB

hydrogen nitrogen boron

hnb

264

HNC

hydrogen isocyanide

hnc

265

HCN

Hydrogen cyanide

hcn

266

HCN^-

Hydrogen cyanide anion

hcn-

267

HCP

Phosphaethyne

hcp

268

NNH

Dinitrogen monohydride

nnh

269

NNH⁺

Dinitrogen monohydride cation

nnh+

270

HPO

Hydrogen phosphorus oxide

hpo

271

HPO⁺

Hydrogen phosphorus oxide cation

hpo+

272

LiNH₂

lithium amide

linh2

273

HBNH

Boranimine

hbnh

274

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

275

H₂CN⁺

hydrocyanonium cation

h2cn+

276

HCNH⁺

N-protonated HCN

hcnh+

277

H₂NN

Isodiazene

h2nn

278

N₂H₂

(E)-diazene

n2h2

279

N₂H₂

(Z)-Diazene

n2h2z

280

CH₂NH

Methanimine

ch3n

281

CHNH₂

aminomethylene

chnh2

282

CH₂PH

Phosphaethene

ch3p

283

BH₂NH₂

Boranamine

bh2nh2

284

CH₂NH₂⁺

methyleneamine cation

ch2nh2+

285

N₂H₄

Hydrazine

n2h4

286

P₂H₄

Diphosphine

p2h4

287

CH₃NH₂

methyl amine

ch3nh2

288

CH₃PH₂

Methyl phosphine

ch3ph2

289

SiH₃NH₂

Silane, amino

sih3nh2

290

N₂H₅⁺

protonated hydrazine

n2h5+

291

BH₃PH₃

borane phosphine

bh3ph3

292

BH₃NH₃

borane ammonia

bh3nh3

293

CH₃NH₃⁺

protonated methylamine

ch3nh3+

294

CH₃PH₃⁺

methyl phosphine, protonated

ch3ph3+

295

NH₃NH₃

Ammonia Dimer

nh3nh3

296

N₂H₇⁺

ammonia ammonium dimer

n2h7+

297

LiO^-

lithium oxide anion

lio-

298

LiO⁺

lithium oxide cation

lio+

299

NaO^-

sodium oxide anion

nao-

300

NaO⁺

sodium oxide cation

nao+

301

CuO

Copper Monoxide

cuo

302

BeO

beryllium oxide

beo

303

BeO^-

Beryllium monoxide anion

beo-

304

BeS

beryllium sulfide

bes

305

MgO

magnesium oxide

mgo

306

MgO^-

magnesium oxide anion

mgo-

307

MgO⁺

magnesium oxide cation

mgo+

308

CaO

Calcium monoxide

cao

309

MgS

magnesium sulfide

mgs

310

MgS^-

magnesium sulfide anion

mgs-

311

MgS⁺

magnesium sulfide cation

mgs+

312

CaS

Calcium sulfide

cas

313

ZnO

zinc monoxide

zno

314

ZnS

Zinc sulfide

zns

315

BeS^-

Beryllium monosulfide anion

bes-

316

BeS⁺

Beryllium monosulfide cation

bes+

317

BO^-

boron monoxide anion

bo-

318

AlO

Aluminum monoxide

alo

319

AlO^-

Aluminum monoxide anion

alo-

320

AlO⁺

aluminum monoxide cation

alo+

321

boron sulfide

322

BS^-

boron monosulfide anion

bs-

323

BS⁺

boron monosulfide cation

bs+

324

AlS

Aluminum sulfide

als

325

AlS^-

aluminum monosulfide anion

als-

326

AlS⁺

aluminum monosulfide cation

als+

327

BO⁺

boron monoxide cation

bo+

328

Carbon monoxide

329

carbon monosulfide

330

CS^-

carbon monosulfide anion

cs-

331

CS⁺

carbon monosulfide cation

cs+

332

SiO

Silicon monoxide

sio

333

SiO^-

silicon monoxide anion

sio-

334

SiO⁺

silicon monoxide cation

sio+

335

SiS

silicon monosulfide

sis

336

SiS^-

silicon monosulfide anion

sis-

337

SiS⁺

silicon monosulfide cation

sis+

338

CSe

Carbon monoselenide

cse

339

CSe^-

Carbon monoselenide anion

cse-

340

CSe⁺

Carbon monoselenide cation

cse+

341

GeO

Germanium monoxide

geo

342

GeS

Germanium monosulfide

ges

343

SiSe

Silicon Monoselenide

sise

344

GeSe

Germanium monoselenide

gese

345

NO⁺

nitric oxide cation

no+

346

NS⁺

nitrogen sulfide cation

ns+

347

PO^-

phosphorus monoxide anion

po-

348

PO⁺

phosphorus monoxide cation

po+

349

PS^-

phosphorus monosulfide anion

ps-

350

PS⁺

phosphorus monosulfide cation

ps+

351

AsO

Arsenic monoxide

aso

352

O₂^--

dioxygen dianion

o2--

353

SO^-

sulfur monoxide anion

so-

354

S₂^-

sulfur diatomic anion

s2-

355

S₂⁺

sulfur diatomic cation

s2+

356

SeO^-

selenium monoxide anion

seo-

357

SeO⁺

selenium monoxide cation

seo+

358

SeS

Selenium monosulfide

ses

359

SeS^-

selenium monosulfide anion

ses-

360

SeS⁺

selenium monosulfide cation

ses+

361

TeO

Tellurium monoxide

teo

362

Se₂^-

selenium diatomic anion

se2-

363

Se₂⁺

selenium diatomic cation

se2+

364

Te₂

Tellurium diatomic

te2

365

LiOH

lithium hydroxide

lioh

366

NaOH

sodium hydroxide

naoh

367

KOH

Potassium hydroxide

koh

368

MgOH

magnesium hydroxide

mgoh

369

CaOH

Calcium monohydroxide

caoh

370

HBO

Boron hydride oxide

hbo

371

HBS

hydrogen boron sulfide

hbs

372

COH⁺

Carbon Monoxide, protonated

coh+

373

HCS

Thioformyl radical

hcs

374

HCS^-

Thioformyl anion

hcs-

375

HCS⁺

Thioformyl cation

hcs+

376

HNO^-

Nitrosyl hydride anion

hno-

377

HNS

Sulfur imide

hns

378

HNS^-

Sulfur imide anion

hns-

379

HO₂^-

Hydroperoxy anion

ho2-

380

HSO⁺

Sulfur Monoxide, S-protonated

HSO+

381

H₂CO

Formaldehyde

h2co

382

HOCH

hydroxycarbene

hoch

383

H₂CS

Thioformaldehyde

h2cs

384

H₂CSe

Selenoformaldehyde

h2cse

385

H₂O₂

Hydrogen peroxide

h2o2

386

H₂OO

water oxide

h2oo

387

HOSH

hydrogen thioperoxide

hosh

388

H₂S₂

Disulfane

h2s2

389

H₂Se₂

hydrogen diselenide

h2se2

390

CH₂OH⁺

hydroxymethyl cation

ch2oh+

391

CH₃O

Methoxy radical

ch3o

392

CH₃O^-

methoxy anion

ch3o-

393

CH₃S

thiomethoxy

ch3s

394

H₂CSH⁺

Thioformaldehyde, protonated

h2csh+

395

NH₂OH

hydroxylamine

nh2oh

396

NH₃O

Ammonia Oxide

nh3o

397

H₂POH

Phosphinous acid

h2poh

398

H₃PO

Phosphine oxide

h3po

399

NH₂SH

Thiohydroxylamine

nh2sh

400

NH₃S

sulfidoazane

nh3s

401

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

402

CH₃OH

Methyl alcohol

ch3oh

403

CH₃SH

Methanethiol

ch3sh

404

SiH₃OH

silanol

sih3oh

405

CH₃SeH

Methane selenol

ch3seh

406

H₂OH₂O

water dimer

h2oh2o

407

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

408

CH₃SH₂⁺

protonated methylsulfide

ch3sh2+

409

H₂ONH₃

Water Ammonia Dimer

h2onh3

410

H₅O₂⁺

Dihydroxonium ion

h5o2+

411

LiF

lithium fluoride

lif

412

LiCl

lithium chloride

licl

413

LiCl^-

lithium chloride anion

licl-

414

LiCl⁺

lithium chloride cation

licl+

415

NaF

sodium fluoride

naf

416

NaF^-

sodium fluoride anion

naf-

417

Potassium Fluoride

418

NaCl

Sodium Chloride

nacl

419

NaCl^-

sodium chloride anion

nacl-

420

NaCl⁺

sodium chloride cation

nacl+

421

KCl

Potassium Chloride

kcl

422

CuF

Copper monofluoride

cuf

423

LiBr

Lithium Bromide

libr

424

LiBr^-

lithium bromide anion

libr-

425

LiBr⁺

lithium bromide cation

libr+

426

CuCl

Copper monochloride

cucl

427

NaBr

Sodium Bromide

nabr

428

NaBr^-

sodium bromide anion

nabr-

429

NaBr⁺

sodium bromide cation

nabr+

430

KBr

Potassium Bromide

kbr

431

LiI

Lithium Iodide

lii

432

NaI

Sodium Iodide

nai

433

Potassium Iodide

434

LiF^-

lithium fluoride anion

lif-

435

BeF

Beryllium monofluoride

bef

436

BeF^-

Beryllium monofluoride anion

bef-

437

BeF⁺

Beryllium monofluoride cation

bef+

438

BeCl

beryllium monochloride

becl

439

MgF

Magnesium monofluoride

mgf

440

MgF^-

magnesium fluoride anion

mgf-

441

MgF⁺

magnesium fluoride cation

mgf+

442

CaF

Calcium monofluoride

caf

443

MgCl

magnesium monochloride

mgcl

444

MgCl^-

magnesium monochloride anion

mgcl-

445

MgCl⁺

magnesium monochloride cation

mgcl+

446

CaCl

calcium monochloride

cacl

447

ZnF^-

Zinc monofluoride anion

znf-

448

ZnF⁺

Zinc monofluoride cation

znf+

449

ZnCl

Zinc monochloride

zncl

450

BeCl^-

beryllium monochloride anion

becl-

451

BeCl⁺

beryllium monochloride cation

becl+

452

Boron monofluoride

453

BF^-

Boron monofluoride anion

bf-

454

BF⁺

Boron monofluoride cation

bf+

455

AlF

Aluminum monofluoride

alf

456

AlF^-

Aluminum monofluoride anion

alf-

457

AlF⁺

Aluminum monofluoride cation

alf+

458

BCl

boron monochloride

bcl

459

BCl^-

boron monochloride anion

bcl-

460

BCl⁺

boron monochloride cation

bcl+

461

AlCl

Aluminum monochloride

alcl

462

AlCl^-

aluminum monochloride anion

alcl-

463

AlCl⁺

aluminum monochloride cation

alcl+

464

ScF

Scandium monofluoride

scf

465

BBr

Boron monobromide

bbr

466

AlBr

Aluminum monobromide

albr

467

AlI

Aluminum monoiodide

ali

468

GaBr

Gallium monobromide

gabr

469

CF^-

carbon monofluoride anion

cf-

470

CF⁺

carbon monofluoride cation

cf+

471

CCl

carbon monochloride

ccl

472

CCl^-

carbon monochloride anion

ccl-

473

CCl⁺

carbon monochloride cation

ccl+

474

SiF⁺

silicon monofluoride cation

sif+

475

SiCl^-

silicon monochloride anion

sicl-

476

SiCl⁺

silicon monochloride cation

sicl+

477

GeF⁺

Germanium monofluoride cation

gef+

478

GeCl⁺

Germanium monochloride cation

gecl+

479

nitrogen fluoride

480

NF^-

nitrogen monofluorine anion

nf-

481

NF⁺

nitrogen monofluoirde cation

nf+

482

NCl^-

nitrogen monochloride anion

ncl-

483

NCl⁺

nitrogen monochloride cation

ncl+

484

phosphorus monofluoride

485

PF^-

phosphorus monofluoride anion

pf-

486

PF⁺

phosphorus monofluoride cation

pf+

487

PCl

phosphorus chloride

pcl

488

PCl^-

phosphorus monochloride anion

pcl-

489

PCl⁺

phosphorus monochloride cation

pcl+

490

SbF

Antimony monofluoride

sbf

491

SbCl

Antimony monochloride

sbcl

492

FO^-

flourine oxide anion

fo-

493

FO⁺

fluorine monoxide cation

fo+

494

ClO^-

chlorine monoxide anion

clo-

495

SF^-

sulfur monofluoride anion

sf-

496

SCl^-

sulfur monochloride anion

scl-

497

BrO^-

Bromine monoxide anion

bro-

498

Iodine monoxide

499

BrCl

Bromine monochloride

brcl

500

F₂

Fluorine diatomic

501

ClF

Chlorine monofluoride

clf

502

ClF^-

clorine monofluoride anion

clf-

503

Cl₂

Chlorine diatomic

cl2

504

BrF

Bromine monofluoride

brf

505

BrF^-

bromine fluoride anion

brf-

506

BrF⁺

bromine fluoride cation

brf+

507

BrCl^-

bromine chloride anion

brcl-

508

BrCl⁺

bromine chloride cation

brcl+

509

Iodine monofluoride

510

Br₂

Bromine diatomic

br2

511

ICl

Iodine monochloride

icl

512

IBr

Iodine monobromide

ibr

513

I₂

Iodine diatomic

514

I₂⁺

Iodine diatomic cation

i2+

515

HCF

Fluoromethylene

hcf

516

HCCl

Chloromethylene

hccl

517

HSiF

fluorosilylene

hsif

518

HSiCl

Chlorosilylene

hsicl

519

HSiBr

monobromosilylene

hsibr

520

CHBr

bromomethylene

chbr

521

HOF

Hypofluorous acid

hfo

522

DOCl

Hypochlorous acid-d

docl

523

HOCl

hypochlorous acid

hocl

524

HOBr

Hypobromous acid

hobr

525

HOI

Hypoiodous acid

hoi

526

F₂H⁺

Fluorine, protonated

f2h+

527

FHF

Hydrogen difluoride

fhf

528

FHF^-

Hydrogen difluoride anion

fhf-

529

ClFH⁺

Chlorine fluoride, F-protonated

clfh+

530

FClH⁺

Chlorine fluoride, Cl-protonated

fclh+

531

Cl₂H⁺

Chlorine, protonated

cl2h+

532

CH₂F⁺

fluoromethyl cation

ch2f+

533

CH₂Cl⁺

chloromethyl cation

ch2cl+

534

NH₂F

monofluoroamine

nh2f

535

NH₂Cl

chloramine

nh2cl

536

H₂F₂

Hydrogen fluoride dimer

h2f2

537

CD₃F

methylfluoride-d3

cd3f

538

CH₃F

Methyl fluoride

ch3f

539

CD₃Cl

methyl chloride d3

cd3cl

540

CH₃Cl

Methyl chloride

ch3cl

541

SiH₃F

monofluorosilane

sih3f

542

SiH₃Cl

chlorosilane

sih3cl

543

GeH₃F

monofluorogermane

geh3f

544

GeH₃Cl

monochlorogermane

geh3cl

545

SiH₃Br

bromosilane

sih3br

546

CH₃I

methyl iodide

ch3i

547

SiH₃I

Silyl Iodide

sih3i

548

NH₃Cl⁺

protonated monochloroammonia

nh3cl+

549

CH₃ClH⁺

methyl chloride, protonated

ch3clh+

550

NH₄Cl

Ammonium chloride

nh4cl

551

LiNe⁺

Lithium Neon cation

line+

552

Ne₂

Neon diatomic

ne2

553

Ar₂

Argon diatomic

ar2

554

Li₃⁺

Lithium trimer cation

li3+

555

C₃⁺

carbon trimer cation

c3+

556

SiC₂

Silicon dicarbide

sic2

557

C₃H₃

Propargyl radical

propargyl

558

C₃H₃^-

Propargyl anion

c3h3-

559

C₃H₃⁺

cyclopropenyl cation

cpr+

560

C₃H₃⁺

Propargyl cation

c3h3+

561

C₃H₄

cyclopropene

cprop

562

CH₂CCH₂

allene

563

CH₃CCH

propyne

564

C₃H₅⁺

Allyl cation

allyl+

565

Zn(CH₃)₂

dimethyl zinc

dmz

566

C₃H₆

Cyclopropane

c3h6

567

CH₂CHCH₃

Propene

propene

568

C₃H₇⁺

cyclopropane, protonated

c3h7+

569

CH₃CHCH₃⁺

Isopropyl cation

prop2yl+

570

C₃H₈

Propane

propane

571

SiH₂(CH₃)₂

dimethylsilane

dms

572

Si₃H₈

trisilane

si3h8

573

NaCN

Sodium Cyanide

nacn

574

CuCN

Copper cyanide

cucn

575

AlCN

Aluminum monocyanide

alcn

576

AlNC

Aluminum isocyanide

alnc

577

CN₂

3H-Diazirin-3-ylidene

cn2

578

N₃^-

azide anion

n3-

579

HCNN

diazomethyl radical

hcnn

580

HNCNH

diiminomethane

hncnh

581

CH₂N₂

diazirine

ch2n2

582

CH₂NN

diazomethane

ch2nn

583

NH₂CN

cyanamide

584

HNNNH⁺

1,2-Triazadienium

n2h3+

585

NH₂NN⁺

hydrazoic acid, protonated

nh2nn+

586

CH₃CN

Acetonitrile

ch3cn

587

CH₃CN⁺

Acetonitrile cation

ch3cn+

588

CH₃NC

methyl isocyanide

ch3nc

589

CHNCH₂

2H-Azirine

c157164

590

CHNHCH

1H-Azirine

chnhch

591

H₂CCNH

Ethenimine

ch2cnh

592

H₂CNCH

methyleneaminomethylene

ch2nch

593

HCCNH₂

Ethynamine

hccnh2

594

HNCNH₂⁺

diiminomethane, protonated

hncnh2+

595

NCNH₃⁺

Cyanamide, protonated

ncnh3+

596

NH₂CNH⁺

cyanamide, cn protonated

nh2cnh+

597

NH₃CN⁺

cyanamide, amine protonated

nh3cn+

598

NHCHNH₂

aminomethanimine

cn2h4

599

C₂H₅N

Aziridine

c2h5n

600

CH₂CHNH₂

aminoethene

601

CH₂NCH₃

N-methylmethanimine

nmm

602

CH₃CHNH

ethanimine

603

NH₂BHNH₂

diaminoborane

nh2bhnh2

604

C₂H₅NH⁺

Protonated Aziridine

c2h5nh+

605

C₂H₆N⁺

aziridine, protonated

c2h6n+

606

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

607

CH₃CH₂NH₂

Ethylamine

etam

608

CH₃NHCH₃

Dimethylamine

ch3nhch3

609

CH₃PHCH₃

dimethylphosphine

ch3phch3

610

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

611

(CH₃)₂NH₂⁺

dimethylammonium cation

dmam

612

CH₃CH₂NH₃⁺

ethylamine, protonated

pea

613

Li₂O

dilithium oxide

li2o

614

Li₂S

dilithium sulfide

li2s

615

Na₂O

disodium monoxide

na2o

616

Na₂S

Sodium sulfide

na2s

617

CNO^-

fulminate

cno-

618

NCO^-

cyanate

nco-

619

SCN

thiocyanato radical

scn

620

SCN^-

thiocyanide anion

scn-

621

BO₂

Boron dioxide

bo2

622

BO₂^-

Boron dioxide anion

bo2-

623

BO₂⁺

Boron dioxide cation

bo2+

624

N₂O

Nitrous oxide

n2o

625

N₂O⁺

Nitrous oxide cation

n2o+

626

NNS

Nitrogen sulfide

nns

627

PPO

Phosphorus oxide phosphide

ppo

628

CO₂

Carbon dioxide

co2

629

CO₂^-

Carbon dioxide anion

co2-

630

OCS

Carbonyl sulfide

cos

631

OCS⁺

Carbonyl sulfide cation

cos+

632

SiO₂

silicon dioxide

sio2

633

CS₂

Carbon disulfide

cs2

634

CS₂⁺

Carbon disulfide cation

cs2+

635

TiO₂

Titanium dioxide

tio2

636

SiS₂

Silicon disulfide

sis2

637

GeO₂

Germanium dioxide

geo2

638

OCSe

Carbonyl selenide

ocse

639

SCSe

Carbon sulfide selenide

scse

640

GeS₂

Germanium disulfide

ges2

641

CSe₂

Carbon diselenide

cse2

642

SCTe

Carbon sulfide Telluride

scte

643

NO₂^-

Nitrogen dioxide anion

no2-

644

PO₂

Phosphorus dioxide

po2

645

PO₂^-

Phosphorus dioxide anion

po2-

646

PO₂⁺

Phosphorus dioxide cation

po2+

647

O₃

Ozone

648

O₃^-

Ozone anion

o3-

649

O₃⁺

Ozone cation

o3+

650

SO₂^-

Sulfur dioxide anion

so2-

651

SO₂⁺

Sulfur dioxide cation

so2+

652

SSO

Disulfur monoxide

sso

653

S₃

Sulfur trimer

654

SeO₂

Selenium dioxide

seo2

655

TeO₂

Tellurium Dioxide

teo2

656

CS₂H⁺

Carbon disulfide, protonated

cs2h+

657

HCNO

fulminic acid

hcno

658

HNCO

Isocyanic acid

hnco

659

HOCN

cyanic acid

hocn

660

HNCS

Isothiocyanic acid

hncs

661

HSCN

thiocyanic acid

hscn

662

HCO₂^-

formate anion

hco2-

663

HNNO

nitrosoazane

hnno

664

HNNO⁺

Nitrous oxide, N-protonated

hnno+

665

NNOH⁺

Nitrous Oxide, O-protonated

nnoh+

666

HOCO⁺

Hydrocarboxyl cation

hoco+

667

HNO₂

Nitrous acid

hno2

668

HNO₂⁺

nitrous acid cation

hno2+

669

O₃H⁺

protonated ozone

o3h+

670

SO₂H⁺

protonated sulfur dioxide

so2h+

671

C₂H₂O

Oxirene

oxirene

672

CH₂CO

Ketene

ch2co

673

CH₂CO⁺

Ketene cation

ch2co+

674

HCCOH

ethynol

hccoh

675

CH₂CS

Thioketene

ch2cs

676

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

677

NH₂NO

Nitrosamide

nh2no

678

CH₂O₂

Dioxirane

diox

679

H₂COO

Dioxymethyl radical

h2coo

680

H₂COO⁺

dioxymethyl cation

h2coo+

681

HCOOH

Formic acid

ch2o2

682

H₂O₃

Hydrogen trioxide

h2o3

683

HSSSH

trisulfane

hsssh

684

NaOCH₃

Sodium methoxide

naoch3

685

CH₂BOH

hydroxy(methylene)borane

ch2boh

686

BH₃CO

Borane carbonyl

bh3co

687

CH₃BO

Borane, methyloxo-

ch3bo

688

CH₂CHO

Vinyloxy radical

ch2cho

689

CH₂COH⁺

ketene, protonated

ch2coh+

690

CH₃CO

Acetyl radical

ch3co

691

CH₃CO^-

Acetyl anion

ch3co-

692

CH₃CO⁺

acetyl cation

ch3co+

693

CH₂NOH

formaldoxime

ch2noh

694

CH₃NO

nitrosomethane

ch3no

695

CHONH₂

formamide

696

CNOH₃

1,2-oxaziridine

cnoh3

697

HOCHNH

hydroxymethylimine

hochnh

698

CHSNH₂

thioformamide

chsnh2

699

NHCHSH

Methanimidothioic acid

nhchsh

700

CH₂OOH

CH2OOH radical

ch2ooh

701

CH₃OO

methylperoxy radical

ch3oo

702

CH₃OO^-

methylperoxy anion

ch3oo-

703

CH₃OO⁺

methylperoxy cation

ch3oo+

704

C₂H₄O

Ethylene oxide

c2h4o

705

CH₂CHOH

ethenol

ch2choh

706

CH₃CHO

Acetaldehyde

ch3cho

707

C₂H₄S

Thiirane

thiirane

708

CH₂CHSH

Ethenethiol

ch2chsh

709

CH₃CHS

Thioacetaldehyde

ch3chs

710

H₂CONH₂⁺

protonated formamide

h2conh2+

711

NH₂CHOH⁺

Formamide, O-protonated

nh2choh+

712

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

713

CH₂(OH)₂

methanediol

ch2o2h2

714

CH₃OOH

Methyl peroxide

ch3ooh

715

CH₃SSH

Hydrogen methyl disulfide

ch3ssh

716

HSCH₂SH

Methanedithiol

ch4s2

717

H₂OH₂CO

water formaldehyde dimer

h2oh2co

718

C₂H₄OH⁺

ethylene oxide, protonated

c2h4oh+

719

CH₃CH₂O

Ethoxy radical

ethoxy

720

CH₃CHOH⁺

acetaldehyde, protonated

ch3choh+

721

CH₃OCH₂

methoxymethyl radical

ch3och2

722

NH₂CH₂OH

aminomethanol

nh2ch2oh

723

CH₃CH₂OH

Ethanol

etoh

724

CH₃OCH₃

Dimethyl ether

meome

725

CH₃CH₂SH

ethanethiol

etsh

726

CH₃SCH₃

Dimethyl sulfide

mesme

727

CH₃SeCH₃

dimethylselenide

dmse

728

CH₃OHH₂O

methanol water dimer

ch3ohh2o

729

H₂OCH₃OH

water methanol dimer

h2och3oh

730

ZnF₂

Zinc difluoride

znf2

731

CNF

iso cyanogen fluoride

cnf

732

FCN

Cyanogen fluoride

fcn

733

ClCN

chlorocyanogen

clcn

734

BrCN

Cyanogen bromide

brcn

735

ICN

Cyanogen iodide

icn

736

FBO

Boron monofluoride monoxide

fbo

737

BeF₂

Beryllium fluoride

bef2

738

MgF₂

Magnesium fluoride

mgf2

739

BeCl₂

Beryllium chloride

becl2

740

MgCl₂

Magnesium dichloride

mgcl2

741

CaCl₂

Calcium Chloride

cacl2

742

ZnCl₂

Zinc dichloride

zncl2

743

BeBr₂

Beryllium bromide

bebr2

744

CaBr₂

Calcium dibromide

cabr2

745

CaF₂

Calcium difluoride

caf2

746

FCO⁺

Carbonyl fluoride cation

fco+

747

FNO

Nitrosyl fluoride

fno

748

ClNO

Nitrosyl chloride

clno

749

FNS

Thionitrosyl fluoride

fns

750

FSN

Thiazyl fluoride

fsn

751

OPCl

Phosphorus oxychloride

opcl

752

BrNO

Nitrosyl bromide

brno

753

INO

Nitrosyl iodide

ino

754

CF₂

Difluoromethylene

cf2

755

CF₂^-

Difluoromethylene anion

cf2-

756

CF₂⁺

Difluoromethylene cation

cf2+

757

CFCl

chlorofluoromethylene

cfcl

758

SiF₂

Silicon difluoride

sif2

759

CCl₂

dichloromethylene

ccl2

760

CCl₂^-

dichloromethylene anion

ccl2-

761

CCl₂⁺

dichloromethylene cation

ccl2+

762

SiCl₂

Dichlorosilylene

sicl2

763

GeF₂

Germanium difluoride

gef2

764

GeCl₂

Germanium dichloride

gecl2

765

CBr₂

dibromomethylene

cbr2

766

FOO

Dioxygen monofluoride radical

foo

767

ClOO

chloroperoxy radical

cloo

768

ClOO⁺

chloroperoxy cation

cloo+

769

OClO⁺

Chlorine dioxide cation

oclo+

770

ClS₂

Sulfur chloride

cls2

771

NF₂

Difluoroamino radical

nf2

772

NF₂⁺

Difluoroamino cation

nf2+

773

PF₂⁺

Phosphorus difluoride cation

pf2+

774

FClO

chlorosyl fluoride

fclo

775

F₂O

Difluorine monoxide

f2o

776

ClOF

Chlorine hypofluorite

clof

777

SF₂

sulfur difluoride

sf2

778

SF₂⁺

sulfur difluoride cation

sf2+

779

Cl₂O

Dichlorine monoxide

cl2o

780

SCl₂

Sulfur dichloride

scl2

781

SeF₂

Selenium difluoride

sef2

782

BrOCl

Bromine hypochlorite

brocl

783

SeCl₂

Selenium Dichloride

secl2

784

SBr₂

Sulfur dibromide

sbr2

785

SeBr₂

Selenium dibromide

sebr2

786

BrOBr

Bromine oxide

brobr

787

F₃^-

trifluoride anion

f3-

788

Cl₃^-

trichloride anion

cl3-

789

Br₃^-

tribromide anion

br3-

790

I₃^-

triiodide

i3-

791

SFCl

Sulfur chloride fluoride

sfcl

792

HCCF

Fluoroacetylene

hccf

793

HCCF⁺

fluoroacetylene cation

hccf+

794

HCCCl

Chloroacetylene

hcccl

795

HCCBr

bromoacetylene

hccbr

796

HFCO

formyl fluoride

hfco

797

COHCl

Formyl chloride

cohcl

798

COHBr

Formyl bromide

cohbr

799

BHF₂

Difluoroborane

bhf2

800

BHCl₂

Borane, dichloro-

bhcl2

801

CHF₂⁺

difluoromethyl cation

chf2+

802

CHFCl⁺

Chlorofluoromethyl cation

chfcl+

803

CHCl₂⁺

dichloromethyl cation

chcl2+

804

HOClO

Chlorous acid

hoclo

805

NHF₂

difluoramine

nhf2

806

NHCl₂

dichloroamine

nhcl2

807

CH₂F₂

Methane, difluoro-

ch2f2

808

CH₂FCl

fluorochloromethane

ch2fcl

809

SiH₂F₂

difluorosilane

sih2f2

810

CH₂Cl₂

Methylene chloride

ch2cl2

811

CH₂BrF

Methane, bromofluoro-

ch2fbr

812

CH₂BrCl

Methane, bromochloro-

ch2clbr

813

CH₂FI

fluoroiodomethane

ch2fi

814

CH₂Br₂

dibromomethane

ch2br2

815

CH₂ClI

chloroiodomethane

ch2cli

816

CH₂BrI

bromoiodomethane

ch2bri

817

CH₂I₂

Diiodomethane

ch2i2

818

SiH₂Cl₂

dichlorosilane

sih2cl2

819

CH₃MgBr

Methyl Magnesium Bromide

ch3mgbr

820

CH₂CHF⁺

fluoroethene cation

ch2chf+

821

C₂H₃Cl

Ethene, chloro-

ch2chcl

822

C₂H₃Br

vinyl bromide

c2h3br

823

C₂H₃I

Vinyl iodide

c2h3i

824

CH₂FOH

fluoromethanol

ch2foh

825

CH₃OCl

methyl hypochlorite

ch3ocl

826

C₂H₅F

fluoroethane

c2h5f

827

CH₃CH₂Cl

Ethyl chloride

c2h5cl

828

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

829

C₂H₅Br

Ethyl bromide

etbr

830

C₂H₅I

Ethyl iodide

c2h5i

831

KrF₂

Krypton difluoride

krf2

832

XeF₂

Xenon difluoride

xef2

833

B₄H₁₀

Tetraborane(10)

b4h10

834

C₄⁺

Carbon tetramer cation

c4+

835

C₄H₂

Diacetylene

c4h2

836

C₂H₃CCH

1-Buten-3-yne

c2h3cch

837

C₄H₄

cyclobutadiene

cbd

838

C₄H₄

Tetrahedrane

c4h4

839

H₂CCCCH₂

Butatriene

h2cccch2

840

C₄H₆

1-Methylcyclopropene

c3100047

841

C₄H₆

Cyclobutene

c822355

842

C₄H₆

Methylenecyclopropane

c6142730

843

CH₂CCHCH₃

1,2-Butadiene

butad12

844

CH₂CHCHCH₂

1,3-Butadiene

c106990

845

CH₃CCCH₃

2-Butyne

c503173

846

CHCCH₂CH₃

1-Butyne

c107006

847

C₄H₈

methylcyclopropane

mcp

848

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

849

CH₂CHCH₂CH₃

1-Butene

bute1

850

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

851

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

852

B(CH₃)₃

trimethylborane

bme3

853

Al(CH₃)₃

trimethyl aluminum

tma

854

C(CH₃)₃

Tert-butyl radical

tbutyl

855

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

856

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

857

CH₃CH(CH₃)CH₃

Isobutane

isobutane

858

CH₃CH₂CH₂CH₃

Butane

butane

859

SiH(CH₃)₃

trimethylsilane

trimsi

860

Li₃N

trilithium nitride

li3n

861

C₂N₂

Cyanogen

c2n2

862

C₂N₂⁺

Cyanogen cation

c2n2+

863

P₄

Phosphorus tetramer

864

As₄

Arsenic tetramer

as4

865

HCCCN

Cyanoacetylene

hcccn

866

H₂CNCN

cyanamide, methylene

ch2ncn

867

HNCCNH

Ethenediimine

hnccnh

868

C₃H₃N

acrylonitrile

ch2chcn

869

CH₃N₃

methyl azide

ch3n3

870

NH₂CCNH₂

Diaminoacetylene

daa

871

NH₂CH₂CN

Aminoacetonitrile

aan

872

CH₃NHN₂⁺

methyl azide, protonated

ch3nhn2+

873

C₂H₅CN

ethyl cyanide

c2h5cn

874

CH₅N₃

Guanidine

guanidine

875

C₄H₆

Bicyclo[1.1.0]butane

c157335

876

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

877

H₂NCHCHNH₂

diaminoethylene

dae

878

CH₆N₃⁺

guanidinium

ch6n3+

879

C₃H₇N

Cyclopropylamine

cpram

880

CH₇N₃

triaminomethane

tam

881

C₃H₇N

Azetidine

azet

882

C₄H₈

cyclobutane

cbutane

883

C₂H₈N₂

Ethylenediamine

ethdiam

884

CH₃NHNHCH₃

dimethyl hydrazine

dmh

885

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

886

N(CH₃)₃

Trimethylamine

trimeam

887

NH₂CH₂CH₂CH₃

1-Propanamine

pram1

888

P(CH₃)₃

trimethylphosphine

tmp

889

N(SiH₃)₃

trisilylamine

tsa

890

As(CH₃)₃

trimethyl arsine

tmas

891

(CH₃)₃NH⁺

protonated trimethyl amine

ptma

892

C₃H₇NH₃⁺

n-propylamine, protonated

c3h7nh2

893

Li₂O₂

dilithium dioxide

li2o2

894

Na₂O₂

disodium dioxide

na2o2

895

K₂O₂

dipotassium dioxide

k2o2

896

C₃O

Tricarbon monoxide

c3o

897

B₂O₂

Diboron dioxide

b2o2

898

ONNO

NO dimer

onno

899

S₂N₂

Disulfur dinitride

s2n2

900

CO₃

Carbon trioxide

co3

901

CO₃^--

carbonate

co3--

902

CS₃^--

Carbonotrithioate

cs3--

903

NO₃

Nitrogen trioxide

no3

904

NO₃^-

nitrate anion

no3-

905

NO₃⁺

nitrogen trioxide cation

no3+

906

SO₃

Sulfur trioxide

so3

907

SO₃^-

Sulfur trioxide anion

so3-

908

SO₃^--

Sulfate dianion

so3--

909

SO₃⁺

Sulfur trioxide cation

so3+

910

SeO₃

selenium trioxide

seo3

911

S₄

Sulfur tetramer

912

TeO₃

Tellurium trioxide

teo3

913

HCO₃^-

bicarbonate anion

hco3-

914

HNO₃

Nitric acid

hno3

915

HSO₃

Hydroxysulfonyl radical

hso3

916

NH₂NO₂

nitramide

nh2no2

917

C₂H₂CO

cyclopropenone

c2h2co

918

C₃H₂O

Propadienal

c3h2o

919

HCCCHO

2-propynal

hcccho

920

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

921

H₂CO₃

Carbonic acid

h2co3

922

H₂CS₃

thiocarbonic acid

h2cs3

923

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

924

H₂SO₃

Sulfurous acid

h2so3

925

C₂H₃NO

Nitrosoethylene

c2h3no

926

CH₃NCO

methylisocyante

ch3nco

927

HOCH₂CN

cyanomethanol

hoch2cn

928

CH₃COO^-

acetate anion

ch3coo-

929

CH₃NO₂

Methane, nitro-

ch3no2

930

CH₃ONO

Methyl nitrite

ch3ono

931

NH₂COOH

Carbamic acid

nh2cooh

932

H₃BO₃

Boric acid

h3bo3

933

H₃AlO₃

Aluminum hydroxide

h3alo3

934

H₃CO₃⁺

carbonic acid, protonated

h3co3+

935

C₃H₄O

2-Propyn-1-ol

c107197

936

C₃H₄O

allenol

c9000071

937

C₃H₄O

Cyclopropanone

cpone

938

C₃H₄O

Methylketene

c6004440

939

CH₂CHCHO

Acrolein

c3h4o

940

NH₂CONH₂

Urea

urea

941

NH₂CONH₂⁺

Urea cation

urea+

942

NH₂CSNH₂

Thiourea

thiourea

943

C₂H₄O₂

1,3-dioxetane

c2h4o2

944

CH₃COOH

Acetic acid

ch3cooh

945

CH₃OCHO

methyl formate

ch3ocho

946

CHOCH₂OH

hydroxy acetaldehyde

haa

947

NH₂COOH₂⁺

Carbamic acid, O-protonated

nh2cooh2+

948

NH₃COOH⁺

protonated Carbamic acid

nh3cooh+

949

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

950

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

951

HCOOHH₂O

Formic acid water dimer

hcoohh2o

952

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

953

CH₂C(OH)NH₂

1-amino vinyl alchohol

ava

954

CH₃C(OH)=NH

Ethaninidic acid

eia

955

CH₃CHNOH

Acetaldoxime

acetaldoxime

956

CH₃CONH₂

Acetamide

acetamide

957

HCONHCH₃

N-methylformamide

nmfa

958

CH₃CSNH₂

Ethanethioamide

ch3csnh2

959

CH₅N₂O⁺

urea, N-protonated

ch4n2o+

960

H₂NCOHNH₂⁺

urea, protonated

ureah+

961

C₂H₅OO

ethylperoxy radical

c2h5oo

962

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

963

C₃H₅OH

Cyclopropanol

cproh

964

C₃H₆O

2-Propen-1-ol

c107186

965

C₃H₆O

Acetone enol

enol

966

C₃H₆O

Oxetane

oxetane

967

C₃H₆O

Propylene oxide

prox

968

CH₃CH₂CHO

Propanal

propanal

969

CH₃COCH₃

Acetone

acetone

970

C₃H₆S

Thietane

thietane

971

C₃H₆S

Thiirane, methyl-

methiirane

972

CH₃CSCH₃

Thioacetone

ch3csch3

973

C₂H₆O₂

1,2-Ethanediol

ethdiol

974

CH₃OOCH₃

dimethylperoxide

dmp

975

CH₃SOCH₃

Dimethyl sulfoxide

dmso

976

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

977

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

978

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

979

HOCH₂CH₂NH₂

monoethanolamine

mea

980

C₃H₇OH

1-Propanol

proh

981

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

982

CH₃OC₂H₅

Ethane, methoxy-

etome

983

C₃H₇SH

1-Propanethiol

prsh

984

CH₃CHSHCH₃

2-Propanethiol

isoprsh

985

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

986

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

987

Li₂F₂

Lithium fluoride dimer

li2f2

988

Na₂F₂

Sodium Fluoride Dimer

na2f2

989

Na₂Cl₂

Disodium dichloride

na2cl2

990

C₂F₂

difluoroacetylene

c2f2

991

C₂Cl₂

dichloroacetylene

c2cl2

992

C₂Cl₂⁺

dichloroacetylene cation

c2cl2+

993

FNO₂

Nitryl fluoride

fno2

994

FONO

Nitrosyl hypofluorite

fono

995

ClNO₂

Nitryl chloride

clno2

996

BrONO

Bromine nitrite

brono

997

N₂F₂

(Z)-Difluorodiazene

n2f2_z

998

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

999

CF₂O

Carbonic difluoride

f2co

1000

COFCl

Carbonic chloride fluoride

cofcl

1001

CCl₂O

Phosgene

cl2co

1002

Cl₂CS

Thiophosgene

cl2cs

1003

COBr₂

Carbonic dibromide

cobr2

1004

BF₃

Borane, trifluoro-

bf3

1005

BF₃^-

Borane, trifluoro- anion

bf3-

1006

AlF₃

Aluminum trifluoride

alf3

1007

BClF₂

Chlorodifluoroborane

bclf2

1008

AlF₂Cl

Aluminum chloride difluoride

alclf2

1009

ScF₃

Scandium trifluoride

ScF3

1010

AlFCl₂

Aluminum dichloride fluoride

alcl2f

1011

BCl₃

Borane, trichloro-

bcl3

1012

GaF₃

Gallium trifluoride

gaf3

1013

AlCl₃

Aluminum trichloride

alcl3

1014

GaCl₃

Gallium trichloride

gacl3

1015

BBr₃

Boron tribromide

bbr3

1016

AlBr₃

Aluminum Bromide

albr3

1017

ClO₃

Chlorine trioxide

clo3

1018

ClO₃^-

chlorate anion

clo3-

1019

BrO₃^-

Bromate anion

bro3-

1020

CF₃

Trifluoromethyl radical

cf3

1021

CCl₃

Trichloromethyl radical

ccl3

1022

CCl₃^-

Trichloromethyl anion

ccl3-

1023

CCl₃⁺

Trichloromethyl cation

ccl3+

1024

SiCl₃

trichlorosilyl radical

sicl3

1025

SiCl₃⁺

trichlorosilyl cation

sicl3+

1026

FOOF

Perfluoroperoxide

foof

1027

ClO₂F

Chloryl fluoride

clo2f

1028

F₂SO

Thionyl Fluoride

f2so

1029

ClOOCl

Dichlorine dioxide

cloocl

1030

FSSF

Difluorodisulfane

fssf

1031

S₂F₂

Thio-thionyl fluoride

s2f2

1032

SOCl₂

thionyl chloride

socl2

1033

SSCl₂

Thiothionyl chloride

sscl2

1034

SeOCl₂

selenium oxychloride

seocl2

1035

NF₃^-

Nitrogen trifluoride anion

nf3-

1036

NF₃⁺

Nitrogen trifluoride cation

nf3+

1037

PF₃

Phosphorus trifluoride

pf3

1038

NCl₃

nitrogen trichloride

ncl3

1039

AsF₃

Arsenic trifluoride

asf3

1040

PCl₃

Phosphorus trichloride

pcl3

1041

SbF₃

Antimony Trifluoride

sbf3

1042

AsCl₃

Arsenous trichloride

ascl3

1043

SbCl₃

Antimony Trichloride

sbcl3

1044

PBr₃

Phosphorus tribromide

pbr3

1045

AsBr₃

Arsenic tribromide

asbr3

1046

NI₃

Nitrogen triiodide

ni3

1047

PI₃

Phosphorus triiodide

pi3

1048

ClSSCl

Disulfur dichloride

s2cl2

1049

ClF₃

Chlorine trifluoride

clf3

1050

BrF₃

Bromine trifluoride

brf3

1051

IF₃

iodone trifluoride

if3

1052

HClO₃

Chloric Acid

hclo3

1053

CHF₃

Methane, trifluoro-

chf3

1054

CHF₂Cl

difluorochloromethane

chf2cl

1055

SiHF₃

trifluorosilane

sihf3

1056

CHFCl₂

fluorodichloromethane

chfcl2

1057

CDCl₃

trichloromethane-d

cdcl3

1058

CHCl₃

Chloroform

chcl3

1059

CHBrF₂

Methane, bromodifluoro-

chbrf2

1060

SiHCl₃

Trichlorosilane

sihcl3

1061

CHFClBr

fluorochlorobromomethane

chfclbr

1062

CHBrCl₂

Methane, bromodichloro-

chbrcl2

1063

CHF₂I

difluoroiodomethane

chf2i

1064

CHBr₂F

dibromofluoromethane

chbr2f

1065

CHFClI

fluorochloroiodomethane

chfcli

1066

CHCl₂I

dichloroiodomethane

chcl2i

1067

CHClBr₂

Methane, dibromochloro-

chclbr2

1068

CHBr₃

bromoform

chbr3

1069

CHI₃

Iodoform

chi3

1070

NF₃H⁺

protonated nitrogen trifluoride

nf3h+

1071

AsF₃H⁺

Arsenic trifluoride, protonated

asf3h+

1072

C₂H₂F₂

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

c2h2f2e

1073

C₂H₂F₂

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

c2h2f2z

1074

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

1075

C₂H₂ClF

1-chloro-1-fluoroethylene

c2h2clf

1076

CHFCHCl

(E)-1-chloro-2-fluoroethene

chfchcle

1077

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

chfchclz

1078

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

1079

CHClCHCl

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

chclchcle

1080

CHClCHCl

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

chclchclz

1081

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

1082

CHBrCHBr

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

chbrchbre

1083

CHBrCHBr

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

chbrchbrz

1084

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

1085

CH₃COF

Acetyl fluoride

ch3cof

1086

CH₂ClCHO

chloroacetaldehyde

ch2clcho

1087

CH₃COCl

Acetyl Chloride

ch3cocl

1088

CH₃CHF₂

Ethane, 1,1-difluoro-

ch3chf2

1089

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

ch2fch2cl

1090

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

1091

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

1092

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

1093

CH₂BrCH₂Cl

1-bromo-2-chloroethane

ch2brch2cl

1094

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

ch2brch2br

1095

CH₂CFCH₃

2-fluoropropene

2fpro

1096

CH₂CHCH₂F

Allyl Fluoride

allylf

1097

CH₃CHCHF

trans-1-Fluoro-1-propene

propene1ft

1098

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

1099

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

1100

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

1101

CH₂FCH₂OH

2-fluoroethanol

ch2fch2oh

1102

CH₂ClCH₂OH

2-Chloroethanol

ch2clch2oh

1103

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

ch2clch2oh2+

1104

CH₂FCH₂CH₃

1-Fluoropropane

prf1

1105

CH₃CHFCH₃

2-Fluoropropane

prf2

1106

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

1107

CH₃CHClCH₃

Propane, 2-chloro-

prcl2

1108

CH₃CH₂CH₂Br

n-propyl bromide

prbr

1109

CH₃CHBrCH₃

i-propyl bromide

iprbr

1110

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

1111

B₅H₉

pentaborane9

b5h9

1112

C₅H₄

pentatetraene

ptrene

1113

C₅H₅^-

cylopentadienyl anion

c5h5-

1114

C₅H₆

1,3-Cyclopentadiene

c542927

1115

C₅H₆

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

c78808

1116

C₅H₆

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

c2004695

1117

C₅H₆

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

c1574409

1118

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

1119

C₅H₆

Cyclopropylacetylene

c6746947

1120

C₅H₆

Propellane

propellane

1121

C₅H₇

1,3-pentadienyl radical

pdyl

1122

C₅H₇

cyclopentenyl radical

cpyl

1123

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

1124

C₅H₈

1,2-Pentadiene

c591957

1125

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

1126

C₅H₈

1,3-Pentadiene, (E)-

c2004708

1127

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

1128

C₅H₈

1,4-Pentadiene

c591935

1129

C₅H₈

1-pentyne

a1pentyne

1130

C₅H₈

2,3-Pentadiene

c591968

1131

C₅H₈

Bicyclo[1.1.1]pentane

bcp

1132

C₅H₈

Cyclobutane, methylene-

c1120565

1133

C₅H₈

Cyclopentene

c142290

1134

C₅H₈

Ethenylcyclopropane

c693867

1135

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

1136

C₅H₁₀

1-Butene, 2-methyl-

c563462

1137

C₅H₁₀

2-Butene, 2-methyl-

c513359

1138

C₅H₁₀

2-Pentene, (E)-

c646048

1139

C₅H₁₀

2-Pentene, (Z)-

c627203

1140

C₅H₁₀

Cyclopentane

c287923

1141

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

1142

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

1143

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

1144

C₅H₁₂

Butane, 2-methyl-

buta2

1145

C₅H₁₂

Pentane

pentane

1146

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

1147

Si(CH₃)₄

tetramethylsilane

tms

1148

N₂O₃

Dinitrogen trioxide

n2o3

1149

C₃H₂N₂

Malononitrile

c3h2n2

1150

CH₂N₄

1H-Tetrazole

1htz

1151

C₃H₃N₂^-

imidizolyl anion

im-

1152

C₂H₃N₃

1H-1,2,4-Triazole

c288880

1153

C₄H₄N^-

pyrrolide anion

c4h4n-

1154

C₃H₄N₂

1H-Pyrazole

1hpyraz

1155

C₃H₄N₂

2H-Imidazole

imid2h

1156

C₃H₄N₂

4H-Imidazole

imid4h

1157

C₄H₅N

(E)-2-Butenenitrile

c627269

1158

C₄H₅N

(Z)-2-Butenenitrile

c1190767

1159

C₄H₅N

2H-pyrrole

pyrrole2

1160

C₄H₅N

3H-pyrrole

pyrrole3

1161

C₄H₅N

Cyclopropanecarbonitrile

c5500210

1162

C₄H₅N

Pyrrole

pyrrole

1163

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

1164

C₄H₆N⁺

pyrrole, alpha-protonated

appyr

1165

C₄H₆N⁺

pyrrole, beta-protonated

bppyr

1166

C₄H₆N⁺

pyrrole, protonated

ppyr

1167

C₃H₆N₂

3-Aminopropionitrile

c151188

1168

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

1169

CH₃CH₂CH₂CN

Butanenitrile

c109740

1170

C₅H₈

Bicyclo[2.1.0]pentane

c185944

1171

C₅H₈

Spiropentane

c157404

1172

C₄H₉N

Cyclobutylamine

cbam

1173

C₄H₉N

Pyrrolidine

pyrrolidine

1174

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

1175

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

1176

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1177

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1178

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1179

NH(C₂H₅)₂

diethylamine

dea

1180

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1181

C₃O₂

Carbon suboxide

c3o2

1182

C₃O₂⁺

Carbon suboxide cation

c3o2+

1183

B₂O₃

diboron trioxide

b2o3

1184

MgCO₃

Magnesium Carbonate

mgco3

1185

BeCO₃

Beryllium Carbonate

beco3

1186

CaCO₃

Calcium Carbonate

caco3

1187

ONONO

Nitrosyl nitrite

onono

1188

PO₄^---

phosphate

po4---

1189

SO₄^--

sulfate

so4--

1190

HOONO₂

peroxy nitric acid

hoono2

1191

HSO₄^-

bisulfate anion

hso4-

1192

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1193

C₃H₂O₂

Propiolic acid

c3h2o2

1194

CHOCOOH

oxo acetic acid

oaa

1195

CHOOCHO

diformyl ether

choocho

1196

H₂SO₄

Sulfuric acid

h2so4

1197

H₂SeO₄

Selenic acid

h2seo4

1198

C₃H₃NO

Isoxazole

isox

1199

C₃H₃NO

Oxazole

oxazole

1200

C₃H₃NS

Thiazole

thiazole

1201

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1202

CH₃NO₃

Methyl nitrate

ch3no3

1203

H₃PO₄

Phosphoric Acid

h3po4

1204

C₄H₄O

Furan

furan

1205

C₄H₄O⁺

Furan cation

furan+

1206

CH₃COCCH

3-butyn-2-one

c1423605

1207

C₄H₄S

Thiophene

furans

1208

C₄H₄Se

selenophene

c4h4se

1209

C₃H₄O₂

β–Propiolactone

beta

1210

C₃H₄O₂

2-Propenoic acid

propenoic2

1211

C₃H₄O₂

Methyl glyoxal

megly

1212

C₃H₄O₂

propanedial

1213

C₃H₄O₂

propenalol

1214

HOCHCCHOH

allenediol

aldiol

1215

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1216

C₂H₄O₃

trioxolane124

triox

1217

HOCH₂COOH

Hydroxyacetic acid

hac

1218

CH₂CHCONH₂

Acrylamide

c79061

1219

CH₃OCH₂CN

Methoxyacetonitrile

c1738369

1220

CH₅N₃S

Hydrazinecarbothioamide

c79196

1221

H₂NCH₂COOH

Glycine

glycine

1222

CH₃SO₂NH₂

methanesulfonamide

ch3so2nh2

1223

C₄H₆O

cis-2-butenal

butenal2c

1224

C₄H₆O

Cyclobutanone

cbutone

1225

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1226

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1227

CH₂CHOCHCH₂

Vinyl ether

vinylether

1228

CHOCHCHCH₃

2-Butenal

butenal2

1229

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1230

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1231

CH₂CHSCHCH₂

Divinyl sulfide

divis

1232

C₂H₆N₂O

Urea, methyl-

c598505

1233

C₃H₆O₂

1,3-Dioxolane

dioxolane

1234

CH₃CH₂COOH

Propanoic Acid

propanoic

1235

CH₃COOCH₃

methyl acetate

aame

1236

HCOOC₂H₅

Ethyl formate

faee

1237

C₂H₆O₂S

Dimethyl sulfone

c67710

1238

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1239

C₃H₇NO

dimethylformamide

dmf

1240

C₃H₇NO

Propanamide

propanam

1241

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1242

C₄H₈O

Cyclobutanol

c2919235

1243

C₄H₈O

Furan, tetrahydro-

thf

1244

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1245

CH₃COCH₂CH₃

2-Butanone

buta2one

1246

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1247

CHOCH₂CH₂CH₃

Butanal

butanal

1248

C₄H₈S

Thiophene, tetrahydro-

tht

1249

C₃H₈O₂

1,3-Propanediol

c504632

1250

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1251

C₃H₈O₂

Methane, dimethoxy-

c109875

1252

C₃H₈O₂

Propylene glycol

c57556

1253

C₃H₈S₂

1,3-Propanedithiol

c109808

1254

C₄H₁₀O

1-Butanol

butanol1

1255

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1256

C₄H₁₀O

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

butanol2

1257

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1258

C₄H₁₀O

Ethoxy ethane

etoet

1259

C₄H₁₀O

Methyl propyl ether

meopr

1260

C₄H₁₀O

Propane, 2-methoxy-

c598538

1261

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1262

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

tbush

1263

C₂H₅SC₂H₅

Diethyl sulfide

etset

1264

C₄H₉SH

1-Butanethiol

bush

1265

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1266

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1267

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1268

FNO₃

Fluorine nitrate

fno3

1269

ClONO₂

Chlorine nitrate

clono2

1270

BrONO₂

Bromine nitrate

brono2

1271

TiCl₄

Titanium tetrachloride

ticl4

1272

ClO₄^-

perchlorate anion

clo4-

1273

BF₄^-

tetrafluoroboron anion

bf4-

1274

ClFO₃

Perchloryl fluoride

clfo3

1275

SO₂F₂

Sulfuryl fluoride

so2f2

1276

SO₂Cl₂

Sulfuryl chloride

so2cl2

1277

F₃NO

Nitrogen trifluoride oxide

f3no

1278

F₃PO

Phosphoryl fluoride

pf3o

1279

Cl₃PO

Phosphoryl chloride

pcl3o

1280

CF₄

Carbon tetrafluoride

cf4

1281

CF₃Cl

Methane, chlorotrifluoro-

cf3cl

1282

SiF₄

Silicon tetrafluoride

sif4

1283

CF₂Cl₂

difluorodichloromethane

cf2cl2

1284

TiF₄

Titanium tetrafluoride

tif4

1285

CFCl₃

Trichloromonofluoromethane

cfcl3

1286

CF₃Br

Bromotrifluoromethane

cf3br

1287

GeF₄

Germanium tetrafluoride

gef4

1288

CCl₄

Carbon tetrachloride

ccl4

1289

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1290

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

1291

SiCl₄

Silane, tetrachloro-

sicl4

1292

CBrCl₂F

bromodichlorofluoromethane

cbrcl2f

1293

CF₃I

trifluoroiodomethane

cf3i

1294

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1295

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1296

GeCl₄

Germanium Tetrachloride

gecl4

1297

CBr₂ClF

dibromochlorofluoromethane

cbr2clf

1298

CBr₂Cl₂

dibromodichloromethane

cbr2cl2

1299

CCl₃I

trichloroiodomethane

ccl3i

1300

CFBr₃

fluorotribromomethane

cfbr3

1301

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1302

CBr₃Cl

tribromochloromethane

cbr3cl

1303

CF₂I₂

difluorodiiodomethane

cf2i2

1304

CBr₄

Carbon tetrabromide

cbr4

1305

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1306

SiBr₄

Silicon tetrabromide

sibr4

1307

CBr₃I

tribromoiododmethane

cbr3i

1308

GeBr₄

Germanium tetrabromide

gebr4

1309

CI₄

tetraiodomethane

ci4

1310

SiI₄

silicon tetraiodide

sii4

1311

ClOF₃

Chlorine trifluoride oxide

clof3

1312

SF₄

Sulfur tetrafluoride

sf4

1313

SeF₄

Selenium tetrafluoride

sef4

1314

SCl₄

Sulfur tetrachloride

scl4

1315

C₂HF₃

Trifluoroethylene

c2hf3

1316

C₂HF₃⁺

Trifluoroethylene cation

c2hf3+

1317

CHClCCl₂

Trichloroethylene

chclccl2

1318

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1319

HClO₄

perchloric acid

hclo4

1320

HSO₃F

Fluorosulfonic acid

hso3f

1321

CF₃OH

trifluoromethanol

cf3oh

1322

CH₂ClCCCl

1,3-dichloropropyne

ch2clcccl

1323

CHClCCHCl

1,3-dichloroallene

chclcchcl

1324

CHCl₂CCH

3,3-dichloropropyne

chcl2cch

1325

CHCl₂CHO

dichloroacetaldehyde

chcl2cho

1326

PF₃CH₂

phosphorane, trifluoromethylene-

pf3ch2

1327

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1328

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

ch2fchf2

1329

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

1330

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1331

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1332

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1333

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1334

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1335

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1336

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1337

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

c4h5cl

1338

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1339

CH₂FCH₂CH₂F

1,3-difluoropropane

ch2fch2ch2f

1340

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1341

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1342

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1343

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

prdicl22

1344

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1345

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1346

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1347

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1348

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1349

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

bute2cl1

1350

CH₃CClCHCH₃

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

bute2cl2e

1351

CH₃CClCHCH₃

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

bute2cl2z

1352

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1353

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1354

C₄H₉F

1-fluorobutane

butaf1

1355

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1356

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1357

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1358

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1359

XeF₄

Xenon tetrafluoride

xef4

1360

C₂H₂N₂O

Furazan

furazan

1361

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1362

NH₃BF₃

Amminetrifluoroboron

nh3bf3

1363

C₆H₂

hexatriyne

c6h2

1364

C₆H₄

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

c6h4e

1365

C₆H₄

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

c6h4z

1366

C₆H₄

Benzyne

benzyne

1367

C₆H₅

phenyl

1368

C₆H₅^-

phenyl anion

phenyl-

1369

C₆H₆

Prismane

prismane

1370

C₆H₆

1,2,4,5-Hexatetraene

ht1245

1371

C₆H₆

2,4-Hexadiyne

hexadiyne

1372

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1373

C₆H₆

Benzene

benzene

1374

C₆H₆

Benzvalene

1375

C₆H₆

Dewar Benzene

dewar

1376

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

1377

C₆H₆

Trimethylenecycopropane

tmcp

1378

C₆H₆⁺

Benzene cation

c6h6+

1379

C₆H₇⁺

benzene, protonated

c6h7+

1380

C₆H₈

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

c821078

1381

C₆H₈

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

hexatri135

1382

C₆H₈

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

hetr234c

1383

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1384

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1385

C₆H₈

3-Methylenecyclopentene

c930267

1386

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1387

C₆H₈

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

c30830207

1388

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1389

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1390

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1391

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1392

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1393

C₆H₁₀

1,5-Hexadiene

c592427

1394

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1395

C₆H₁₀

1-Hexyne

hexyne1

1396

C₆H₁₀

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

hexdi24ee

1397

C₆H₁₀

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

hexdi24ez

1398

C₆H₁₀

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

hexdi24zz

1399

C₆H₁₀

2-Hexyne

c764352

1400

C₆H₁₀

3-Hexyne

hexyne3

1401

C₆H₁₀

cyclohexene

1402

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1403

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1404

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1405

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1406

C₆H₁₂

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

dmcb12t

1407

C₆H₁₂

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

dmcb13t

1408

C₆H₁₂

(E)-2-Hexene

e2hexene

1409

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1410

C₆H₁₂

(E)-hex-3-ene

e3hexene

1411

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1412

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1413

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1414

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1415

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1416

C₆H₁₂

3-methylenepentane

c760214

1417

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1418

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1419

C₆H₁₂

Cyclohexane

cyclohexane

1420

C₆H₁₂

Cyclopentane, methyl-

c96377

1421

C₆H₁₂

Ethylcyclobutane

c4806615

1422

C₆H₁₂

hex-1-ene

hexene1

1423

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1424

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1425

C₆H₁₄

Hexane

hexane

1426

C₆H₁₄

Pentane, 2-methyl-

penta2

1427

C₆H₁₄

Pentane, 3-methyl-

penta3

1428

C₄N₂

2-Butynedinitrile

c4n2

1429

N₃P₃

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

n3p3

1430

C₄H₂N₂

Fumaronitrile

c4h2n2

1431

C₂H₂N₄

sym-tetrazine

ttz

1432

C₃H₃N₃

1,3,5-Triazine

triazine135

1433

CH₃N₅

5-Aminotetrazole

c4418615

1434

C₄H₄N₂

1,3-Diazine

diazine13

1435

C₄H₄N₂

Pyrazine

pyrazine

1436

C₄H₄N₂

Pyridazine

pyridazine

1437

C₄H₄N₂

Succinonitrile

c110612

1438

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1439

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1440

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1441

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1442

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1443

C₅H₅N

Pyridine

pyridine

1444

B₃N₃H₆

borazine

1445

C₆H₆

Fulvene

fulvene

1446

C₅H₆N⁺

Pyridinium

c5h6n

1447

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1448

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1449

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1450

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1451

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1452

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1453

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1454

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1455

C₅H₉N

Pentanenitrile

c110598

1456

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1457

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1458

C₅H₁₁N

Cyclopentanamine

cypentam

1459

C₅H₁₁N

Piperidine

piper

1460

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1461

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1462

Li₂CO₃

Lithium Carbonate

li2co3

1463

Na₂CO₃

Sodium Carbonate

na2co3

1464

C₂O₄^--

oxalate anion

c2o4

1465

MgSO₄

Magnesium Sulfate

mgso4

1466

N₂O₄

Dinitrogen tetroxide

n2o4

1467

C₃H₂O₃

vinylene carbonate

vica

1468

C₂H₂O₄

Oxalic Acid

oxalic

1469

C₂H₃NO₃

Oxamic acid

oxamic

1470

C₄H₄O₂

2(5H)-Furanone

furanone

1471

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1472

C₂H₄N₂O₂

Oxalamide

oxalamide

1473

C₂H₄N₂S₂

Ethanedithioamide

c79403

1474

C₂H₄CO₃

Ethylene carbonate

etco3

1475

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1476

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1477

C₂H₄O₄

Formic acid dimer

fadimer

1478

C₄H₅NO

3-Methylisoxazole

isox3m

1479

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1480

C₄H₅NS

4-Methylthiazole

c693958

1481

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1482

C₅H₆O

2H-Pyran

pyran2

1483

C₅H₆O

2-methylfuran

furan2m

1484

C₅H₆O

3-Methylfuran

furan3m

1485

C₅H₆O

Pentadienal

pdal

1486

C₅H₆S

Thiophene, 2-methyl-

c554143

1487

C₅H₆S

Thiophene, 3-methyl-

c616444

1488

C₄H₆O₂

γ–Butyrolactone

c96480

1489

C₄H₆O₂

2,3-Butanedione

c431038

1490

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1491

C₄H₆O₂

Crotonic Acid

crot

1492

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1493

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1494

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1495

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1496

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1497

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1498

C₄H₆OS

Vinyl sulfoxide

c1115157

1499

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1500

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1501

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1502

C₃H₆O₃

1,3,5-Trioxane

trioxane

1503

C₃H₆S₃

1,3,5-Trithiane

c3h6s3

1504

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1505

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1506

C₄H₇NO

2-Pyrrolidinone

c616455

1507

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1508

C₄H₇NO

Methacrylamide

c79390

1509

C₄H₇NO

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

c1120645

1510

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1511

C₃H₇ONO

Propyl nitrite

prono

1512

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1513

CH₃CH(NH₂)COOH

Alanine

alanine

1514

CH₃NHCH₂COOH

Sarcosine

sarcosine

1515

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1516

NH₂COOC₂H₅

Urethane

urethane

1517

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1518

C₅H₈O

Cyclopentanone

c120923

1519

C₅H₈O

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

c1487156

1520

C₅H₈O

Methyl cyclopropyl ketone

c765435

1521

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1522

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

1523

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1524

C₄H₈O₂

1,3-Dioxane

dioxan13

1525

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1526

C₄H₈O₂

1,4-Dioxane

dioxan14

1527

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1528

C₄H₈O₂

Ethyl acetate

c141786

1529

C₄H₈OS

s-Ethyl thioacetate

c625605

1530

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1531

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1532

C₄H₉NO

Butanamide

c541355

1533

C₄H₉NO

Propanamide, 2-methyl-

c563837

1534

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1535

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1536

C₅H₁₀O

2-methylbutyraldehyde

2meba

1537

C₅H₁₀O

2-Pentanone

mpk

1538

C₅H₁₀O

3-Pentanone

dek

1539

C₅H₁₀O

Cyclopentanol

c96413

1540

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1541

C₅H₁₀O

Pentanal

pal

1542

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1543

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1544

C₅H₁₀S

Cyclopentanethiol

c1679078

1545

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1546

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1547

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1548

C₄H₁₀O₂

1,3-Butanediol

budiol13

1549

C₄H₁₀O₂

1,4-Butanediol

budiol14

1550

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1551

C₄H₁₀OS

Diethyl sulfoxide

c70291

1552

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1553

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1554

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1555

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1556

C₅H₁₂O

1-Pentanol

pentanol1

1557

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1558

C₅H₁₂O

2-Pentanol

peol2

1559

C₅H₁₂O

3-Pentanol

pentan3ol

1560

C₅H₁₂O

Butane, 1-methoxy-

meobu

1561

C₅H₁₂O

Propane, 1-ethoxy-

proet

1562

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1563

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1564

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1565

C₅H₁₂S

1-Pentanethiol

c110667

1566

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1567

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1568

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1569

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1570

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1571

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1572

C₅H₁₂S

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

c6163640

1573

C₄F₂

difluorobutadiyne

c4f2

1574

ClCOClCO

Oxalyl chloride

oxcl

1575

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1576

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1577

B₂F₄

Diboron tetrafluoride

b2f4

1578

B₂Cl₄

Diboron tetrachloride

b2cl4

1579

C₂F₄

Tetrafluoroethylene

c2f4

1580

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1581

C₂ClF₃

Ethene, chlorotrifluoro-

c2f3cl

1582

CF₂CCl₂

difluorodichloroethylene

cf2ccl2

1583

CFClCClF

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

cfclcclf

1584

CFClCFCl

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

cfclcfcl

1585

C₂FCl₃

fluorotrichloroethene

c2fcl3

1586

C₂Cl₄

Tetrachloroethylene

c2cl4

1587

C₂Br₄

tetrabromoethene

c2br4

1588

CF₃OF

Trifluoromethylhypofluorite

cf3of

1589

SiF₅^-

silicon pentafluoride anion

sif5-

1590

SOF₄

Sulfur tetrafluoride oxide

sof4

1591

PF₅

Phosphorus pentafluoride

pf5

1592

AsF₅

Arsenic pentafluoride

asf5

1593

PCl₅

Phosphorus pentachloride

pcl5

1594

SF₅

Sulfur pentafluoride

sf5

1595

SF₅⁺

pentafluoro sulfur cation

sf5+

1596

SbCl₅

Antimony pentachloride

sbcl5

1597

BrF₅

bromine pentafluoride

brf5

1598

ClF₅

chlorinepentafluoride

clf5

1599

IF₅

pentafluoroiodine

if5

1600

CF₃CHO

trifluoroacetaldehyde

cf3cho

1601

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1602

CHFClCHClF

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

chfclchclf

1603

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1604

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1605

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1606

CHFClCHFCl

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

chfclchfcl

1607

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

ch2clccl3

1608

CHCl₂CHCl₂

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

chcl2chcl2

1609

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

c2h2br4

1610

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

1611

CF₃COOH

trifluoroacetic acid

cf3cooh

1612

C₄H₃ClO

Furan, 2-chloro

fur2cl

1613

C₄H₃ClO

Furan,3-chloro

fur3cl

1614

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1615

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1616

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1617

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1618

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1619

C₄H₈Cl₂

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

c2211678

1620

C₄H₈Cl₂

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

c4028562

1621

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1622

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1623

C₄H₈O₂

Butanoic acid

bua

1624

C₆H₅CH₂

benzyl radical

benzyl

1625

C₇H₇⁺

cycloheptatrienyl cation

c7h7+

1626

C₆H₅CH₃

toluene

1627

C₇H₈

cycloheptatriene

cht

1628

C₇H₈

Norbornadiene

norbor

1629

C₇H₈

Quadricyclane

qucy

1630

C₇H₁₂

Norbornane

nor

1631

C₇H₁₄

cycloheptane

c7h14

1632

C₇H₁₆

2-methylhexane

2mhex

1633

C₇H₁₆

3-methylhexane

hex3m

1634

C₇H₁₆

heptane

1635

CH(CN)₃

tricyanomethane

mecn3

1636

HN=C=C(CN)₂

Dicyanoketenimine

c4hn3

1637

C₆H₇N

2-Methylpyridine

1638

C₆H₅NH₂

aniline

1639

C₆H₁₃N

2-Methylpiperidine

pip2m

1640

C₆H₁₃N

cyclohexanamine

cham

1641

C₆H₁₅N

triethylamine

tea

1642

N₂O₅

Dinitrogen pentoxide

n2o5

1643

C₄H₂O₃

Maleic Anhydride

malan

1644

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1645

C₅H₄O₂

furfural

1646

C₆H₅O

phenoxy radical

phenoxy

1647

C₅H₅NO

2(1H)-Pyridinone

c72762006

1648

C₅H₅NO

2(3H)-Pyridinone

c9000048

1649

C₅H₅NO

2(5H)-Pyridinone

c9000037

1650

C₅H₅NO

2-Pyridinol

c109104

1651

C₅H₅NO

3(2H)-Pyridinone

c9000004

1652

C₅H₅NO

3(4H)-Pyridinone

c9000026

1653

C₅H₅NO

3(6H)-Pyridinone

c9000015

1654

C₅H₅NO

3-Pyridinol

c109002

1655

C₅H₅NO

4(1H)-Pryidinone

c9000060

1656

C₅H₅NO

4(3H)-Pryidinone

c9000059

1657

C₅H₅NO

4-Pyridinol

c626642

1658

C₆H₅OH

phenol

1659

C₆H₆O

2,4-Cyclohexadienone

c24599573

1660

C₆H₆O

2,5-Cyclohexadienone

c5664335

1661

C₆H₅SH

Benzenethiol

phsh

1662

HO₂CCHNH₂CH₂OH

Serine

serine

1663

C₅H₈O₂

Acetylacetone

acac

1664

C₄H₈O₂S

Sulfolane

sulfolane

1665

C₇H₁₀

Norbornene

norbornene

1666

CH(C₂H₃)₃

trivinyl methane

tvm

1667

C₆H₁₀O

cyclohexanone

chexo

1668

C₆H₁₂O

hexanal

c6h12o

1669

C₆H₁₂O

Oxepane

oxepane

1670

C₃H₇OC₃H₇

di-n-propyl ether

propr

1671

F₂CCCF₂

tetrafluoroallene

pfa

1672

CF₃COO^-

trifluoro acetate anion

cf3coo-

1673

CF₃COF

trifluoroacetyl fluoride

cf3cof

1674

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1675

PF₆^-

Hexafluorophosphate ion

pf6-

1676

SF₆

Sulfur Hexafluoride

sf6

1677

SeF₆

Selenium hexafluoride

sef6

1678

SF₅Cl

sulfur chloropentafluoride

sf5cl

1679

CF₃CHF₂

pentafluoroethane

cf3chf2

1680

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1681

CF₃CHCl₂

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

cf3chcl2

1682

CHCl₂CClF₂

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

chcl2cclf2

1683

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1684

C₆H₅F

Fluorobenzene

bzf

1685

C₆H₅Cl

chlorobenzene

bzcl

1686

C₆H₅Br

bromobenzene

bzbr

1687

C₈H₆

Calicene

calicene

1688

C₆H₅CCH

phenylacetylene

phac

1689

C₈H₆

benzocyclobutadiene

bcbd

1690

C₈H₆

Pentalene

pentalene

1691

C₆H₅CHCH₂

Styrene

styrene

1692

C₈H₈

cubane

1693

C₈H₈

cyclooctatetraene

cot

1694

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1695

CH₃C₆H₄CH₃

meta-xylene

mxylene

1696

CH₃C₆H₄CH₃

paraxylene

pxylene

1697

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1698

C₈H₁₆

cyclooctane

cyclooct

1699

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1700

C₈H₁₈

Octane

c8h18

1701

C₆H₅CN

phenyl cyanide

phcn

1702

C₆H₁₂N₂

Triethylenediamine

ted

1703

C₄O₄^--

squarate dianion

c4o4--

1704

S₄N₄

Tetrasulfur tetranitride

s4n4

1705

S₈

Octasulfur

1706

C₆H₄O₂

parabenzoquinone

pbq

1707

C₄H₄N₂O₂

Uracil

uracil

1708

C₆H₅OCH₃

Anisole

anisole

1709

C₅H₉NO₂

Proline

proline

1710

C₆H₁₂O₂

Methyl pivalate

c598981

1711

C₆H₁₂O₂

Hexanoic acid

hexa

1712

C₄F₄

tetrafluorcyclobutadiene

c4f4

1713

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1714

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1715

CF₂ClCF₂Cl

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

cf2clcf2cl

1716

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1717

CF₂ClCFCl₂

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

cf2clcfcl2

1718

CF₃CCl₃

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

cf3ccl3

1719

C₂F₆

hexafluoroethane

c2f6

1720

C₂Cl₆

hexachloroethane

c2cl6

1721

IF₇

Iodine heptafluoride

if7

1722

C₆H₄F₂

metadifluorobenzene

mdfb

1723

C₆H₄F₂

orthodifluorobenzene

odfb

1724

C₆H₄F₂

1,4-difluorobenzene

pdfb

1725

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1726

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1727

C₆H₄Cl₂

1,4-dichlorobenzene

dcb14

1728

C₆H₅NO

nitrosobenzene

bzno

1729

C₉H₈

Indene

indene

1730

C₉H₈

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

snt

1731

C₉H₁₂

n-propyl benzene

prbz

1732

C₉H₂₀

Nonane

nonane

1733

C(CN)₄

tetracyanomethane

c5n4

1734

C₅H₄N₄

purine

1735

C₈H₇N

Indole

indole

1736

C₃H₃N₃O₃

cyanuric acid

cyanuric

1737

C₆H₅NO₂

Nitrobenzene

c6h5no2

1738

C₆H₅COOH

benzoic acid

benzo

1739

CH₃COC₆H₅

acetophenone

acph

1740

C₃Cl₃N₃

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

c3cl3n3

1741

C₃F₆

hexafluoropropene

c3f6

1742

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1743

C₈H₁₈O

1-Octanol

octanol

1744

C₁₀H₈

Azulene

azu

1745

C₁₀H₈

naphthalene

naph

1746

C₁₀H₁₀

bullvalene

bullv

1747

C₁₀H₁₆

adamantane

1748

C₆N₄

Tetracyanoethylene

tcne

1749

C₁₀H₂₂

Decane

decane

1750

C₄F₆

perfluorobutadiene

c4f6

1751

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1752

C₃F₈

perfluoropropane

c3f8

1753

Fe(CO)₅

Iron pentacarbonyl

ipc

1754

Fe(C₅H₅)₂

ferrocene

fecp2

1755

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1756

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1757

C₁₂H₈

Acenaphthylene

acenaph

1758

C₁₂H₈

biphenylene

biph

1759

C₁₂H₁₀

biphenyl

1760

C₁₂H₁₀

Heptalene

heptalene

1761

C₆H₁₂O₆

Inositol

inositol

1762

C₆F₆

hexafluorobenzene

c6f6

1763

S₂F₁₀

disulphur decafluoride

s2f10

1764

C₁₃H₁₀

Fluorene

fluorene

1765

C₁₄H₁₀

Anthracene

anth

1766

C₁₄H₁₀

Phenanthrene

phenanthrene

1767

C₁₄H₁₄

Bibenzyl

bibenzyl

1768

C₁₂H₁₀N₂

azobenzene

1769

C₆H₅COC₆H₅

benzophenone

1770

C₁₆H₁₀

Pyrene

pyrene

1771

C₁₈H₁₂

Tetracene

tetracene

1772

C₁₉H₁₆

Triphenylmethane

tpm

1773

C₂₄H₁₂

Coronene

coronene

1774

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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