CCCBDB List of Species with completed calculations

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List of which calculations are completed at MP3=FULL /3-21G*

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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	¹S	K_h
6	He	Helium atom
7	He⁺	Helium atom cation	²S	K_h
8	HeH⁺	Helium hydride cation	¹Σ	C_∞v
9	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
10	Li^-	Lithium atom anion	¹S	K_h
11	LiH⁺	lithium hydride cation	²Σ	C_∞v
12	KH	Potassium hydride	¹Σ	C_∞v
13	MgH	magnesium monohydride	²Σ	C_∞v
14	ZnH⁺	Zinc, protonated
15	BeH₂⁺	Beryllium dihydride cation
16	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
17	Al	Aluminum atom	²P	K_h
18	Al^-	Aluminum atom anion	³P	K_h
19	Al⁺	Aluminum atom cation	¹S	K_h
20	BH	Boron monohydride	¹Σ	C_∞v
21	BH	Boron monohydride	³Π	C_∞v
22	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
23	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
24	BH₃⁺	boron trihydride cation	²B₂	C_2v
25	BH₃⁺	boron trihydride cation		C_2v
26	AlH₃	aluminum trihydride	¹A₁^'	D_3h
27	AlH₃^-	aluminum trihydride anion		C_3v
28	BH₄	borohydride	²B₂	C_2v
29	BH₄^-	borohydride anion	¹A₁	T_d
30	C	Carbon atom	³P₀	K_h
31	Si^-	Silicon atom anion	⁴S	K_h
32	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
33	GeH	germylidene	²Π	C_∞v
34	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
35	CH₂^-	methylene anion	²B₁	C_2v
36	GeH₂	germylene	¹A₁	C_2v
37	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
38	CH₄	Methane	¹A₁	T_d
39	CH₄^-	Methane anion	²A₁	T_d
40	SiH₂D₂	silane-d2
41	SiH₄	Silane	¹A₁	T_d
42	GeH₄	Germane	¹A₁	T_d
43	SiH₅⁺	Silane, protonated
44	N	Nitrogen atom	⁴S	K_h
45	P	Phosphorus atom	⁴S	K_h
46	V⁺	Vanadium atom cation	⁵D	K_h
47	As	Arsenic atomic	⁴S	K_h
48	As^-	Arsenic anion	³P	K_h
49	As⁺	Arsenic cation	³P	K_h
50	PH	phosphorus monohydride	³Σ^-	C_∞v
51	NH₂	Amino radical	²B₁	C_2v
52	NH₂⁺	Amino cation	³B₁	C_2v
53	NH₂⁺	Amino cation	¹A₁	C_2v
54	NH₃	Ammonia	¹A₁	C_3v
55	NH₃^-	Ammonia anion	²A₁	C_3v
56	PH₃	Phosphine	¹A₁	C_3v
57	PH₃⁺	Phosphine cation	²A₁	C_3v
58	NH₄	Ammonium radical
59	NH₄⁺	ammonium cation	¹A₁	T_d
60	PH₄	Phosphoranyl radical
61	PH₄⁺	phosphonium cation
62	O	Oxygen atom	³S	K_h
63	S	Sulfur atom	³P	K_h
64	S	Sulfur atom
65	S^-	Sulfur atom anion	²P	K_h
66	S⁺	Sulfur atom cation	⁴S	K_h
67	Se	Selenium atom	³P	K_h
68	Se^-	Selenium atom anion	²P	K_h
69	Se⁺	Selenium atom cation	⁴S	K_h
70	Te	Tellurium atom
71	OH	Hydroxyl radical	²Π	C_∞v
72	OH^-	hydroxide anion	¹Σ	C_∞v
73	OH⁺	hydoxyl cation	³Σ	C_∞v
74	HS^-	mercapto anion	¹Σ	C_∞v
75	HS⁺	sulfur monohydride cation	³Σ	C_∞v
76	CrH	Chromium hydride	⁶Σ	C_∞v
77	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
78	HSe	Selenium monohydride	²Π	C_∞v
79	HSe^-	selenium monohydride anion	¹Σ	C_∞v
80	HSe⁺	selenium monohydride cation	³Σ	C_∞v
81	H₂O	Water	¹A₁	C_2v
82	H₂O^-	water anion	²A₁	C_2v
83	H₂O^-	water anion	²A^'	C_s
84	H₂O⁺	water cation	²B₁	C_2v
85	HDO	Water-d1	¹A₁	C_2v
86	H₂S	Hydrogen sulfide	¹A₁	C_2v
87	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
88	H₂Se	Hydrogen selenide	¹A₁	C_2v
89	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
90	H₃O⁺	hydronium cation	¹A₁	C_3v
91	H₃S⁺	Sulfonium cation	¹A₁	C_3v
92	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
93	F	Fluorine atom	²P	K_h
94	F^-	Fluorine atom anion	¹S	K_h
95	F⁺	Fluorine atom cation	³S	K_h
96	F⁺	Fluorine atom cation	¹D	K_h
97	Cl	Chlorine atom	²P	K_h
98	Cl^-	Chlorine atom anion	¹S	K_h
99	Cl⁺	Chlorine atom cation	³P	K_h
100	Cl⁺	Chlorine atom cation	¹D	K_h
101	Br	Bromine atom	²P	K_h
102	Br^-	Bromine atom anion	¹S	K_h
103	Br⁺	Bromine atom cation	³P	K_h
104	HCl⁺	hydrogen chloride cation	²Π	C_∞v
105	HBr	hydrogen bromide	¹Σ	C_∞v
106	HBr^-	hydrogen bromide anion	²Σ	C_∞v
107	HBr⁺	hydrogen bromide cation	²Π	C_∞v
108	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
109	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
110	Ne	Neon atom	¹S	K_h
111	Ne	Neon atom
112	Kr	Krypton atom	¹S	K_h
113	Kr⁺	Krypton cation	²P	K_h
114	Xe	Xenon atom	¹S	K_h
115	HeLi⁺	Helium Lithium cation
116	ArH⁺	Argon hydride cation	¹Σ	C_∞v
117	KrH⁺	Protonated Krypton	¹Σ	C_∞v
118	XeH⁺	Xenon, protonated	¹Σ	C_∞v
119	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
120	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
121	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
122	NaK⁺	Sodium Potassium diatomic cation		1
123	BeMg	Beryllium Magnesium	¹Σ	C_∞v
124	LiAl	Lithium Aluminum
125	NaAl	Sodium aluminum	¹Σ	C_∞v
126	BAl	Boron Aluminum	³Σ	C_∞v
127	BGa	Boron Gallium	³Σ	C_∞v
128	AlGa	Aluminum Gallium	³Σ	C_∞v
129	AlGa	Aluminum Gallium	¹Σ	C_∞v
130	HBBH	Diborane(2)	³Σ_G	D_∞h
131	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
132	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
133	B₂H₆	Diborane	¹A_g	D_2h
134	B₂H₆⁺	Diborane cation
135	CaC	Calcium monocarbide
136	BSi	Boron silicide	⁴Σ	C_∞v
137	BSi	Boron silicide	²Σ	C_∞v
138	SiGe	Silicon Germanium
139	C₂H	Ethynyl radical	²Σ	C_∞v
140	C₂H^-	Ethynyl anion	¹Σ	C_∞v
141	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
142	C₂H₂⁺	acetylene cation
143	H₂CC^-	vinylidene anion
144	HCCH^-	acetylene anion
145	HCCH^-	acetylene anion
146	CH₃Li	methyl lithium	¹A₁	C_3v
147	CH₂BH	methyleneborane	¹A₁	C_2v
148	C₂H₃	vinyl	²A^'	C_s
149	C₂H₃^-	vinyl anion	¹A^'	C_s
150	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
151	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
152	C₂H₄⁺	Ethylene cation	²B₃	D₂
153	Si₂H₄	Disilene
154	CH₃BH₂	methylborane	¹A^'	C_s
155	C₂H₅	Ethyl radical	²A^'	C_s
156	C₂H₆	Ethane	¹A_1g	D_3d
157	Si₂H₆	disilane	¹E_u	D_3d
158	LiP	Lithium monophosphide
159	LiP	Lithium monophosphide
160	MgN	Magnesium Nitride
161	MgN	Magnesium Nitride
162	BP	Boron monophosphide	³Π	C_∞v
163	BP	Boron monophosphide	¹Σ	C_∞v
164	GaP	Gallium monophosphide	³Σ	C_∞v
165	GaP	Gallium monophosphide	¹Σ	C_∞v
166	CN	Cyano radical	²Σ	C_∞v
167	SiP	Silicon monophosphide	²Π	C_∞v
168	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
169	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
170	HCN	Hydrogen cyanide	¹Σ	C_∞v
171	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
172	HNC⁺	hydrogen isocyanide cation
173	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
174	LiNH₂	lithium amide
175	HBNH	Boranimine	¹Σ	C_∞v
176	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
177	CH₂NH	Methanimine	¹A^'	C_s
178	CH₂NH⁺	Methanimine cation
179	CHNH₂	aminomethylene
180	CHNH₂⁺	Aminocarbene cation
181	BH₂NH₂	Boranamine
182	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
183	N₂H₄	Hydrazine	¹A	C₂
184	CH₃NH₂	methyl amine	¹A^'	C_s
185	SiH₃NH₂	Silane, amino
186	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
187	BH₃PH₃	borane phosphine
188	BH₃NH₃	borane ammonia	¹A₁	C_3v
189	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
190	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
191	N₂H₇⁺	ammonia ammonium dimer
192	CaO	Calcium monoxide	¹Σ	C_∞v
193	CaS	Calcium sulfide	¹Σ	C_∞v
194	BO	boron monoxide	²Σ	C_∞v
195	CO	Carbon monoxide	¹Σ	C_∞v
196	CO^-	carbon monoxide anion	²Π	C_∞v
197	CO⁺	carbon monoxide cation	²Σ	C_∞v
198	GeO	Germanium monoxide	¹Σ	C_∞v
199	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
200	GeS	Germanium monosulfide	¹Σ	C_∞v
201	SiSe	Silicon Monoselenide
202	SiSe⁺	Silicon Monoselenide cation
203	NO	Nitric oxide	²Π	C_∞v
204	NO^-	nitric oxide anion	³Σ	C_∞v
205	NO⁺	nitric oxide cation	¹Σ	C_∞v
206	PO	Phosphorus monoxide	²Π	C_∞v
207	PS	phosphorus sulfide	²Σ	C_∞v
208	NSe	Nitrogen monoselenide	²Π	C_∞v
209	AsS	Arsenic monosulfide	²Π	C_∞v
210	PSe	Phosphorus monoselenide	²Π	C_∞v
211	AsSe	Arsenic monoselenide	²Π	C_∞v
212	O₂^-	oxygen diatomic anion	²Π	D_∞h
213	SO⁺	sulfur monoxide cation	²Π	C_∞v
214	S₂	Sulfur diatomic	³Σ_g	D_∞h
215	SeO	Selenium monoxide	³Σ	C_∞v
216	LiOH	lithium hydroxide	¹Σ	C_∞v
217	KOH	Potassium hydroxide	¹Σ	C_∞v
218	BeOH	beryllium monohydroxide	²A^'	C_s
219	HBO	Boron hydride oxide	¹Σ	C_∞v
220	COH	Hydroxymethylidyne
221	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
222	HCO^-	formyl anion	¹A^'	C_s
223	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
224	NOH	Hydroxyimidogen	³A^"	C_s
225	NOH⁺	O-protonated nitric oxide	²A^'	C_s
226	HO₂⁺	Hydroperoxy cation	³A^"	C_s
227	HSO⁺	Sulfur Monoxide, S-protonated
228	SOH	Sulfur Hydroxide
229	SOH⁺	Sulfur Monoxide, protonated
230	H₂CO	Formaldehyde	¹A₁	C_2v
231	H₂CO^-	formaldehyde anion	²A^'	C_s
232	H₂CO^-	formaldehyde anion
233	H₂CO⁺	formaldehyde cation	²B₂	C_2v
234	H₂CS	Thioformaldehyde	¹A₁	C_2v
235	H₂CS^-	thioformaldehyde anion
236	H₂CS^-	thioformaldehyde anion
237	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
238	H₂NO	nitroxide	²B₁	C_2v
239	H₂NO	nitroxide	²A^'	C_s
240	H₂O₂	Hydrogen peroxide	¹A	C₂
241	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
242	H₂OO	water oxide
243	HOSH	hydrogen thioperoxide
244	H₂S₂	Disulfane	¹A	C₂
245	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
246	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
247	CH₃O^-	methoxy anion	¹A₁	C_3v
248	CH₃O⁺	Methoxy cation	³A₁	C_3v
249	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
250	NH₂OH	hydroxylamine	¹A^'	C_s
251	NH₂OH⁺	Hydroxylamine cation
252	NH₂SH	Thiohydroxylamine
253	NH₂SH	Thiohydroxylamine
254	NH₃S	sulfidoazane
255	CH₃OH	Methyl alcohol	¹A^'	C_s
256	CH₃SH	Methanethiol	¹A^'	C_s
257	CH₃SH⁺	Methanethiol cation	²A^"	C_s
258	SiH₃OH	silanol
259	NH₂OH₂⁺	protonated hydroxylamine
260	NH₃OH⁺	N-protonated hydroxylamine
261	H₂OH₂O	water dimer	¹A^'	C_s
262	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
263	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
264	LiF	lithium fluoride	¹Σ	C_∞v
265	LiCl	lithium chloride	¹Σ	C_∞v
266	NaF⁺	sodium fluoride cation	²Σ	C_∞v
267	LiBr	Lithium Bromide	¹Σ	C_∞v
268	LiI	Lithium Iodide
269	NaI	Sodium Iodide
270	LiF⁺	lithium fluoride cation	²Π	C_∞v
271	TiCl	Titanium Monochloride	⁴Σ	C_∞v
272	ZnF	Zinc monofluoride	²Σ	C_∞v
273	CaBr	Calcium monobromide
274	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
275	AlBr	Aluminum monobromide
276	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
277	CF	Fluoromethylidyne	²Π	C_∞v
278	SiF	silicon monofluoride	²Π	C_∞v
279	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
280	CBr	Carbon monobromide	²Π	C_∞v
281	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
282	GeCl⁺	Germanium monochloride cation
283	SiBr	Silicon monobromide	²Π	C_∞v
284	SiBr⁺	Silicon monobromide cation
285	NCl	nitrogen monochloride	³Σ	C_∞v
286	AsCl	Arsenic monochloride	³Σ	C_∞v
287	PBr	Phosphorus monobromide
288	FO	Oxygen monofluoride	²Π	C_∞v
289	SCl	sulfur monochloride	²Π	C_∞v
290	SeCl	Selenium monochloride	²Π	C_∞v
291	BrCl	Bromine monochloride	¹Σ	C_∞v
292	F₂	Fluorine diatomic	¹Σ_g	D_∞h
293	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
294	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
295	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
296	ClF⁺	clorine monofluoride cation	²Π	C_∞v
297	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
298	BrF	Bromine monofluoride	¹Σ	C_∞v
299	Br₂	Bromine diatomic	¹Σ_g	D_∞h
300	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
301	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
302	HCF	Fluoromethylene	¹A^'	C_s
303	HCF	Fluoromethylene	³A^"	C_s
304	HOCl	hypochlorous acid	¹A^'	C_s
305	HOCl⁺	hypochlorous acid cation
306	F₂H⁺	Fluorine, protonated	¹A^'	C_s
307	ClFH⁺	Chlorine fluoride, F-protonated
308	FClH⁺	Chlorine fluoride, Cl-protonated
309	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
310	CH₂Br	bromomethyl radical
311	CH₂F	fluoromethyl radical	²A	C_s
312	CH₂F⁺	fluoromethyl cation
313	CH₂Cl⁺	chloromethyl cation
314	CH₂Cl	chloromethyl radical	²A^'	C_s
315	CH₂Cl	chloromethyl radical	²B₁	C_2v
316	NH₂Cl	chloramine	¹A^'	C_s
317	CH₃F⁺	methyl fluoride cation
318	CH₃F	Methyl fluoride	¹A₁	C_3v
319	CH₃Cl	Methyl chloride	¹A₁	C_3v
320	SiH₃Cl	chlorosilane	¹A₁	C₁
321	CH₃Br	methyl bromide	¹A₁	C_3v
322	SiH₃Br	bromosilane	¹A₁	C_3v
323	CH₃ClH⁺	methyl chloride, protonated
324	NH₄Cl	Ammonium chloride
325	LiNe⁺	Lithium Neon cation
326	Ar₂	Argon diatomic	¹S_g	D_∞h
327	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
328	C₃	carbon trimer	¹Σ_g	D_∞h
329	C₃	carbon trimer	¹A₁	C_2v
330	C₃H₄	cyclopropene	¹A₁	C_2v
331	CH₃CCH	propyne	¹A^'	C_3v
332	CH₂CHCH₃	Propene	¹A^'	C_s
333	C₃H₇	n-Propyl radical	²A^"	C₁
334	C₃H₇⁺	cyclopropane, protonated
335	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
336	C₃H₈	Propane	¹A₁	C_2v
337	Si₃H₈	trisilane
338	LiCN	lithium cyanide	¹Σ	C*V LiCN
339	KCN	Potassium cyanide	¹Σ	C_∞v
340	KCN	Potassium cyanide	¹Σ	C_∞v
341	KCN	Potassium cyanide	¹A^'	C_s
342	ZnCN	Zinc monocyanide	²Σ	C_∞v
343	ZnNC	Zinc isocyanide	²Σ	C_∞v
344	N₃	azide radical	²Π_g	D_∞h
345	N₃⁺	azide cation	³Σ_g	D_∞h
346	N₃⁺	azide cation	³Σ	C_∞v
347	HN₃⁺	Hydrazoic acid cation
348	HNCNH	diiminomethane	¹A	C₂
349	HNNNH⁺	1,2-Triazadienium
350	NH₂NN⁺	hydrazoic acid, protonated
351	CH₃CN	Acetonitrile	¹A₁	C_3v
352	CH₃CN^-	acetonitrile anion	²E	C_3v
353	CHNCH₂	2H-Azirine
354	CHNHCH	1H-Azirine
355	H₂CCNH	Ethenimine
356	H₂CNCH	methyleneaminomethylene
357	HCCNH₂	Ethynamine
358	HCNCH₂⁺	2H-Azirine cation
359	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
360	NCNH₃⁺	Cyanamide, protonated	¹A₁	C_3v
361	NH₂CNH⁺	cyanamide, cn protonated
362	NH₃CN⁺	cyanamide, amine protonated
363	C₂H₅NH⁺	Protonated Aziridine	¹A₁	C_2v
364	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
365	CH₃CH₂NH₂	Ethylamine
366	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
367	(CH₃)₂NH₂⁺	dimethylammonium cation	¹A₁	C_2v
368	CH₃CH₂NH₃⁺	ethylamine, protonated	¹A^'	C_s
369	Li₂O	dilithium oxide	¹Σ_g	D_∞h
370	Na₂O	disodium monoxide	¹Σ_g	Linear
371	Na₂O	disodium monoxide	¹A₁	C_2v
372	Na₂S	Sodium sulfide
373	Na₂S	Sodium sulfide
374	NaO₂	Sodium superoxide
375	NCO	isocyanato radical	²Π	C_∞v
376	N₂O	Nitrous oxide	¹Σ	C_∞v
377	N₂O^-	Nitrous oxide anion	²A^'	C_s
378	OCS	Carbonyl sulfide	¹Σ	C_∞v
379	CS₂	Carbon disulfide	¹Σ_g	D_∞h
380	OCSe	Carbonyl selenide	¹Σ	C_∞v
381	SCSe	Carbon sulfide selenide
382	NO₂	Nitrogen dioxide	²A₁	C_2v
383	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
384	NSO	sulfinyl amidogen
385	SNO	Nitrogen oxide sulfide
386	O₃	Ozone	¹A₁	C_s
387	S₃	Sulfur trimer	¹A₁	C_2v
388	S₃	Sulfur trimer
389	SeO₂	Selenium dioxide	¹A₁	C_2v
390	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
391	HCCO	ketenyl radical	²Π	C_∞v
392	HCCO	ketenyl radical	²A^"	C_s
393	HNCS	Isothiocyanic acid
394	HNCS	Isothiocyanic acid
395	HSCN	thiocyanic acid	¹A^'	C_s
396	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
397	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
398	HOCO	Hydrocarboxyl radical	¹A^'	cis
399	HOCO	Hydrocarboxyl radical	¹A^'	trans
400	O₃H⁺	protonated ozone	¹A^'	C_s
401	O₃H⁺	protonated ozone
402	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
403	C₂H₂O	Oxirene	¹A₁	C_2v
404	CH₂CO	Ketene	¹A₁	C_2v
405	CH₂CS	Thioketene
406	Be(OH)₂	Beryllium hydroxide
407	Be(OH)₂	Beryllium hydroxide
408	Be(OH)₂	Beryllium hydroxide
409	H₂COO	Dioxymethyl radical	²A^'	C_s
410	H₂COO⁺	dioxymethyl cation	²A^'	C_s
411	HCOOH	Formic acid	¹A^'	C_s
412	HCOOH	Formic acid
413	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
414	BH₃CO	Borane carbonyl	¹A₁	C_3v
415	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
416	CH₂COH⁺	ketene, protonated
417	CH₂NOH	formaldoxime	¹A^'	C_s
418	CH₃NO	nitrosomethane	¹A^'	C_s
419	CNOH₃	1,2-oxaziridine	¹A	C₁
420	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
421	CHSNH₂	thioformamide
422	NHCHSH	Methanimidothioic acid
423	C₂H₄O	Ethylene oxide	¹A₁	C_2v
424	C₂H₄O⁺	ethylene oxide cation
425	CH₃CHO	Acetaldehyde	¹A^'	C_s
426	CH₃CHO⁺	acetaldehyde cation
427	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
428	C₂H₄S	Thiirane	¹A₁	C_2v
429	CH₂CHSH	Ethenethiol
430	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
431	NH₂CHOH⁺	Formamide, O-protonated
432	CH₃SSH	Hydrogen methyl disulfide
433	HSCH₂SH	Methanedithiol
434	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
435	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
436	CH₃CHOH⁺	acetaldehyde, protonated	¹A^'	C_s
437	NH₂CH₂OH	aminomethanol
438	CH₃CH₂SH	ethanethiol	¹A^'	C_s
439	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
440	CH₃SCH₃⁺	dimethyl sulfide cation
441	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
442	CNF	iso cyanogen fluoride	¹Σ	C_∞v
443	BrCN	Cyanogen bromide	¹Σ	C_∞v
444	ICN	Cyanogen iodide	¹Σ	C_∞v
445	CaBr₂	Calcium dibromide
446	BF₂	Boron difluoride radical	²A₁	C_2v
447	FNS	Thionitrosyl fluoride	¹A^'	C_s
448	FSN	Thiazyl fluoride	¹A^'	C_s
449	OPCl	Phosphorus oxychloride
450	INO	Nitrosyl iodide	¹A^'	C_s
451	CF₂	Difluoromethylene	¹A₁	D_∞h
452	CFCl	chlorofluoromethylene	¹A^'	C_s
453	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
454	CBr₂	dibromomethylene	¹A₁	C_2v
455	CBr₂	dibromomethylene	³B₁	C_2v
456	OClO^-	Chlorine dioxide anion	¹A^'	C_s
457	ClSO	Sulfur chloride oxide	²A^"	C_s
458	BrOO	Bromine dioxide
459	OBrO	Bromine dioxide radical	²B₁	C_2v
460	PF₂	Phosphorus difluoride
461	FClO	chlorosyl fluoride	¹A^'	C_s
462	ClOF	Chlorine hypofluorite	¹A^'	C_s
463	SF₂	sulfur difluoride	¹A₁	C_2v
464	SFCl	Sulfur chloride fluoride
465	HCCBr	bromoacetylene	¹Σ	C_∞v
466	CHCl₂	dichloromethyl radical	²B₁	C_2v
467	CHCl₂	dichloromethyl radical	²A^'	C_s
468	CHF₂⁺	difluoromethyl cation
469	CHFCl	Chlorofluoromethyl radical
470	CHFCl⁺	Chlorofluoromethyl cation
471	CHCl₂⁺	dichloromethyl cation
472	CHBr₂	dibromomethyl radical
473	NHF₂	difluoramine
474	NHCl₂	dichloroamine
475	SiH₂F₂	difluorosilane
476	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
477	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
478	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
479	CH₂FI	fluoroiodomethane
480	CH₂I₂	Diiodomethane
481	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
482	C₂H₃I	Vinyl iodide
483	CH₂FOH	fluoromethanol
484	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
485	CHClCH₃	1-chloroethyl radical	²A	C₁
486	XeF₂	Xenon difluoride
487	C₄	Carbon tetramer	³Σ_g	D_∞h
488	C₄	Carbon tetramer
489	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
490	C₄H₄	Tetrahedrane
491	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
492	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
493	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
494	C₂N₂	Cyanogen	¹Σ_g	D_∞h
495	As₄	Arsenic tetramer	¹A₁	T_d
496	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
497	H₂CNCN	cyanamide, methylene
498	HNCCNH	Ethenediimine
499	CH₃N₃	methyl azide	¹A^'	C_s
500	NH₂CCNH₂	Diaminoacetylene	¹A	C₂

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

¹S

K_h

Helium atom

He⁺

Helium atom cation

²S

K_h

HeH⁺

Helium hydride cation

¹Σ

C_∞v

He₂⁺

helium diatomic cation

²Σ_u

D_∞h

Li^-

Lithium atom anion

¹S

K_h

LiH⁺

lithium hydride cation

²Σ

C_∞v

Potassium hydride

¹Σ

C_∞v

MgH

magnesium monohydride

²Σ

C_∞v

ZnH⁺

Zinc, protonated

BeH₂⁺

Beryllium dihydride cation

MgH₂

magnesium dihydride

¹Σ_g

D_∞h

Aluminum atom

²P

K_h

Al^-

Aluminum atom anion

³P

K_h

Al⁺

Aluminum atom cation

¹S

K_h

Boron monohydride

¹Σ

C_∞v

Boron monohydride

³Π

C_∞v

ScH⁺

Scandium monohydride cation

²Σ

C_∞v

GaH⁺

Gallium monohydride cation

²Σ

C_∞v

BH₃⁺

boron trihydride cation

²B₂

C_2v

BH₃⁺

boron trihydride cation

C_2v

AlH₃

aluminum trihydride

¹A₁^'

D_3h

AlH₃^-

aluminum trihydride anion

C_3v

BH₄

borohydride

²B₂

C_2v

BH₄^-

borohydride anion

¹A₁

T_d

Carbon atom

³P₀

K_h

Si^-

Silicon atom anion

⁴S

K_h

SiH⁺

silicon monohydride cation

¹Σ

C_∞v

GeH

germylidene

²Π

C_∞v

GeH⁺

Germaniun monohyrdide cation

¹Σ

C_∞v

CH₂^-

methylene anion

²B₁

C_2v

GeH₂

germylene

¹A₁

C_2v

SiH₃⁺

Silyl cation

¹A₁^'

D_3h

CH₄

Methane

¹A₁

T_d

CH₄^-

Methane anion

²A₁

T_d

SiH₂D₂

silane-d2

SiH₄

Silane

¹A₁

T_d

GeH₄

Germane

¹A₁

T_d

SiH₅⁺

Silane, protonated

Nitrogen atom

⁴S

K_h

Phosphorus atom

⁴S

K_h

V⁺

Vanadium atom cation

⁵D

K_h

Arsenic atomic

⁴S

K_h

As^-

Arsenic anion

³P

K_h

As⁺

Arsenic cation

³P

K_h

phosphorus monohydride

³Σ^-

C_∞v

NH₂

Amino radical

²B₁

C_2v

NH₂⁺

Amino cation

³B₁

C_2v

NH₂⁺

Amino cation

¹A₁

C_2v

NH₃

Ammonia

¹A₁

C_3v

NH₃^-

Ammonia anion

²A₁

C_3v

PH₃

Phosphine

¹A₁

C_3v

PH₃⁺

Phosphine cation

²A₁

C_3v

NH₄

Ammonium radical

NH₄⁺

ammonium cation

¹A₁

T_d

PH₄

Phosphoranyl radical

PH₄⁺

phosphonium cation

Oxygen atom

³S

K_h

Sulfur atom

³P

K_h

Sulfur atom

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

Tellurium atom

Hydroxyl radical

²Π

C_∞v

OH^-

hydroxide anion

¹Σ

C_∞v

OH⁺

hydoxyl cation

³Σ

C_∞v

HS^-

mercapto anion

¹Σ

C_∞v

HS⁺

sulfur monohydride cation

³Σ

C_∞v

CrH

Chromium hydride

⁶Σ

C_∞v

CrH⁺

Chromium hydride cation

⁵Σ

C_∞v

HSe

Selenium monohydride

²Π

C_∞v

HSe^-

selenium monohydride anion

¹Σ

C_∞v

HSe⁺

selenium monohydride cation

³Σ

C_∞v

H₂O

Water

¹A₁

C_2v

H₂O^-

water anion

²A₁

C_2v

H₂O^-

water anion

²A^'

C_s

H₂O⁺

water cation

²B₁

C_2v

HDO

Water-d1

¹A₁

C_2v

H₂S

Hydrogen sulfide

¹A₁

C_2v

H₂S⁺

Hydrogen sulfide cation

²B₁

C_2v

H₂Se

Hydrogen selenide

¹A₁

C_2v

H₂Se⁺

Hydrogen selenide cation

²B₁

C_2v

H₃O⁺

hydronium cation

¹A₁

C_3v

H₃S⁺

Sulfonium cation

¹A₁

C_3v

H₃Se⁺

Hydrogen Selenide, protonated

¹A₁

C_3v

Fluorine atom

²P

K_h

F^-

Fluorine atom anion

¹S

K_h

F⁺

Fluorine atom cation

³S

K_h

F⁺

Fluorine atom cation

¹D

K_h

Chlorine atom

²P

K_h

Cl^-

Chlorine atom anion

¹S

K_h

Cl⁺

Chlorine atom cation

³P

K_h

100

Cl⁺

Chlorine atom cation

¹D

K_h

101

Bromine atom

²P

K_h

102

Br^-

Bromine atom anion

¹S

K_h

103

Br⁺

Bromine atom cation

³P

K_h

104

HCl⁺

hydrogen chloride cation

²Π

C_∞v

105

HBr

hydrogen bromide

¹Σ

C_∞v

106

HBr^-

hydrogen bromide anion

²Σ

C_∞v

107

HBr⁺

hydrogen bromide cation

²Π

C_∞v

108

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

109

H₂Br⁺

protonated hydrogen bromide

²A₁

C_2v

110

Neon atom

¹S

K_h

111

Neon atom

112

Krypton atom

¹S

K_h

113

Kr⁺

Krypton cation

²P

K_h

114

Xenon atom

¹S

K_h

115

HeLi⁺

Helium Lithium cation

116

ArH⁺

Argon hydride cation

¹Σ

C_∞v

117

KrH⁺

Protonated Krypton

¹Σ

C_∞v

118

XeH⁺

Xenon, protonated

¹Σ

C_∞v

119

H₂Ar

H2 Ar dimer

¹Σ

C_∞v

120

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

121

Na₂⁺

sodium diatomic cation

²Σ_g

D_∞h

122

NaK⁺

Sodium Potassium diatomic cation

123

BeMg

Beryllium Magnesium

¹Σ

C_∞v

124

LiAl

Lithium Aluminum

125

NaAl

Sodium aluminum

¹Σ

C_∞v

126

BAl

Boron Aluminum

³Σ

C_∞v

127

BGa

Boron Gallium

³Σ

C_∞v

128

AlGa

Aluminum Gallium

³Σ

C_∞v

129

AlGa

Aluminum Gallium

¹Σ

C_∞v

130

HBBH

Diborane(2)

³Σ_G

D_∞h

131

B₂H₄

Diborane(4) D2d

¹A₁

D_2d

132

HBHHBH

Diborane(4) C2V

¹A₁

C_2v

133

B₂H₆

Diborane

¹A_g

D_2h

134

B₂H₆⁺

Diborane cation

135

CaC

Calcium monocarbide

136

BSi

Boron silicide

⁴Σ

C_∞v

137

BSi

Boron silicide

²Σ

C_∞v

138

SiGe

Silicon Germanium

139

C₂H

Ethynyl radical

²Σ

C_∞v

140

C₂H^-

Ethynyl anion

¹Σ

C_∞v

141

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

142

C₂H₂⁺

acetylene cation

143

H₂CC^-

vinylidene anion

144

HCCH^-

acetylene anion

145

HCCH^-

acetylene anion

146

CH₃Li

methyl lithium

¹A₁

C_3v

147

CH₂BH

methyleneborane

¹A₁

C_2v

148

C₂H₃

vinyl

²A^'

C_s

149

C₂H₃^-

vinyl anion

¹A^'

C_s

150

C₂H₃⁺

vinyl cation

¹A₁

C2V bridging H

151

C₂H₃⁺

vinyl cation

¹A₁

C2V HCCH2

152

C₂H₄⁺

Ethylene cation

²B₃

D₂

153

Si₂H₄

Disilene

154

CH₃BH₂

methylborane

¹A^'

C_s

155

C₂H₅

Ethyl radical

²A^'

C_s

156

C₂H₆

Ethane

¹A_1g

D_3d

157

Si₂H₆

disilane

¹E_u

D_3d

158

LiP

Lithium monophosphide

159

LiP

Lithium monophosphide

160

MgN

Magnesium Nitride

161

MgN

Magnesium Nitride

162

Boron monophosphide

³Π

C_∞v

163

Boron monophosphide

¹Σ

C_∞v

164

GaP

Gallium monophosphide

³Σ

C_∞v

165

GaP

Gallium monophosphide

¹Σ

C_∞v

166

Cyano radical

²Σ

C_∞v

167

SiP

Silicon monophosphide

²Π

C_∞v

168

N₂

Nitrogen diatomic

¹Σ_g

D_∞h

169

N₂^-

nitrogen diatomic anion

²Π_g

D_∞h

170

HCN

Hydrogen cyanide

¹Σ

C_∞v

171

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

172

HNC⁺

hydrogen isocyanide cation

173

NNH⁺

Dinitrogen monohydride cation

¹Σ

C_∞v

174

LiNH₂

lithium amide

175

HBNH

Boranimine

¹Σ

C_∞v

176

N₂H₂⁺

trans-diazene cation

²A_G

C_2h

177

CH₂NH

Methanimine

¹A^'

C_s

178

CH₂NH⁺

Methanimine cation

179

CHNH₂

aminomethylene

180

CHNH₂⁺

Aminocarbene cation

181

BH₂NH₂

Boranamine

182

CH₂NH₂⁺

methyleneamine cation

¹A₁

C_2v

183

N₂H₄

Hydrazine

¹A

C₂

184

CH₃NH₂

methyl amine

¹A^'

C_s

185

SiH₃NH₂

Silane, amino

186

N₂H₅⁺

protonated hydrazine

¹A^'

C_s

187

BH₃PH₃

borane phosphine

188

BH₃NH₃

borane ammonia

¹A₁

C_3v

189

CH₃NH₃

methyl ammonium radical

²A₁

C_3v

190

CH₃PH₃⁺

methyl phosphine, protonated

¹A₁

C_3v

191

N₂H₇⁺

ammonia ammonium dimer

192

CaO

Calcium monoxide

¹Σ

C_∞v

193

CaS

Calcium sulfide

¹Σ

C_∞v

194

boron monoxide

²Σ

C_∞v

195

Carbon monoxide

¹Σ

C_∞v

196

CO^-

carbon monoxide anion

²Π

C_∞v

197

CO⁺

carbon monoxide cation

²Σ

C_∞v

198

GeO

Germanium monoxide

¹Σ

C_∞v

199

GeO⁺

Germanium monoxide cation

²Σ

C_∞v

200

GeS

Germanium monosulfide

¹Σ

C_∞v

201

SiSe

Silicon Monoselenide

202

SiSe⁺

Silicon Monoselenide cation

203

Nitric oxide

²Π

C_∞v

204

NO^-

nitric oxide anion

³Σ

C_∞v

205

NO⁺

nitric oxide cation

¹Σ

C_∞v

206

Phosphorus monoxide

²Π

C_∞v

207

phosphorus sulfide

²Σ

C_∞v

208

NSe

Nitrogen monoselenide

²Π

C_∞v

209

AsS

Arsenic monosulfide

²Π

C_∞v

210

PSe

Phosphorus monoselenide

²Π

C_∞v

211

AsSe

Arsenic monoselenide

²Π

C_∞v

212

O₂^-

oxygen diatomic anion

²Π

D_∞h

213

SO⁺

sulfur monoxide cation

²Π

C_∞v

214

S₂

Sulfur diatomic

³Σ_g

D_∞h

215

SeO

Selenium monoxide

³Σ

C_∞v

216

LiOH

lithium hydroxide

¹Σ

C_∞v

217

KOH

Potassium hydroxide

¹Σ

C_∞v

218

BeOH

beryllium monohydroxide

²A^'

C_s

219

HBO

Boron hydride oxide

¹Σ

C_∞v

220

COH

Hydroxymethylidyne

221

COH⁺

Carbon Monoxide, protonated

¹Σ

C_∞v

222

HCO^-

formyl anion

¹A^'

C_s

223

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

224

NOH

Hydroxyimidogen

³A^"

C_s

225

NOH⁺

O-protonated nitric oxide

²A^'

C_s

226

HO₂⁺

Hydroperoxy cation

³A^"

C_s

227

HSO⁺

Sulfur Monoxide, S-protonated

228

SOH

Sulfur Hydroxide

229

SOH⁺

Sulfur Monoxide, protonated

230

H₂CO

Formaldehyde

¹A₁

C_2v

231

H₂CO^-

formaldehyde anion

²A^'

C_s

232

H₂CO^-

formaldehyde anion

233

H₂CO⁺

formaldehyde cation

²B₂

C_2v

234

H₂CS

Thioformaldehyde

¹A₁

C_2v

235

H₂CS^-

thioformaldehyde anion

236

H₂CS^-

thioformaldehyde anion

237

H₂CS⁺

thioformaldehyde cation

²B₂

C_2v

238

H₂NO

nitroxide

²B₁

C_2v

239

H₂NO

nitroxide

²A^'

C_s

240

H₂O₂

Hydrogen peroxide

¹A

C₂

241

H₂O₂

Hydrogen peroxide

¹A_g

C_2h

242

H₂OO

water oxide

243

HOSH

hydrogen thioperoxide

244

H₂S₂

Disulfane

¹A

C₂

245

H₂S₂⁺

hydrogen disulfide cation

²B_g

C_2h

246

CH₂OH⁺

hydroxymethyl cation

¹A^'

C_s

247

CH₃O^-

methoxy anion

¹A₁

C_3v

248

CH₃O⁺

Methoxy cation

³A₁

C_3v

249

H₂CSH⁺

Thioformaldehyde, protonated

¹A^'

C_s

250

NH₂OH

hydroxylamine

¹A^'

C_s

251

NH₂OH⁺

Hydroxylamine cation

252

NH₂SH

Thiohydroxylamine

253

NH₂SH

Thiohydroxylamine

254

NH₃S

sulfidoazane

255

CH₃OH

Methyl alcohol

¹A^'

C_s

256

CH₃SH

Methanethiol

¹A^'

C_s

257

CH₃SH⁺

Methanethiol cation

²A^"

C_s

258

SiH₃OH

silanol

259

NH₂OH₂⁺

protonated hydroxylamine

260

NH₃OH⁺

N-protonated hydroxylamine

261

H₂OH₂O

water dimer

¹A^'

C_s

262

CH₃SH₂⁺

protonated methylsulfide

¹A^'

C_s

263

H₅O₂⁺

Dihydroxonium ion

¹A

C₂

264

LiF

lithium fluoride

¹Σ

C_∞v

265

LiCl

lithium chloride

¹Σ

C_∞v

266

NaF⁺

sodium fluoride cation

²Σ

C_∞v

267

LiBr

Lithium Bromide

¹Σ

C_∞v

268

LiI

Lithium Iodide

269

NaI

Sodium Iodide

270

LiF⁺

lithium fluoride cation

²Π

C_∞v

271

TiCl

Titanium Monochloride

⁴Σ

C_∞v

272

ZnF

Zinc monofluoride

²Σ

C_∞v

273

CaBr

Calcium monobromide

274

GaF⁺

Gallium monofluoride cation

²Σ

C_∞v

275

AlBr

Aluminum monobromide

276

GaCl⁺

Gallium monochloride cation

²Σ

C_∞v

277

Fluoromethylidyne

²Π

C_∞v

278

SiF

silicon monofluoride

²Π

C_∞v

279

SiF⁺

silicon monofluoride cation

¹Σ

C_∞v

280

CBr

Carbon monobromide

²Π

C_∞v

281

GeF⁺

Germanium monofluoride cation

¹Σ

C_∞v

282

GeCl⁺

Germanium monochloride cation

283

SiBr

Silicon monobromide

²Π

C_∞v

284

SiBr⁺

Silicon monobromide cation

285

NCl

nitrogen monochloride

³Σ

C_∞v

286

AsCl

Arsenic monochloride

³Σ

C_∞v

287

PBr

Phosphorus monobromide

288

Oxygen monofluoride

²Π

C_∞v

289

SCl

sulfur monochloride

²Π

C_∞v

290

SeCl

Selenium monochloride

²Π

C_∞v

291

BrCl

Bromine monochloride

¹Σ

C_∞v

292

F₂

Fluorine diatomic

¹Σ_g

D_∞h

293

F₂^-

flourine diatomic anion

²Σ_u

D_∞h

294

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

295

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

296

ClF⁺

clorine monofluoride cation

²Π

C_∞v

297

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

298

BrF

Bromine monofluoride

¹Σ

C_∞v

299

Br₂

Bromine diatomic

¹Σ_g

D_∞h

300

Br₂^-

bromine diatomic anion

²Σ_u

D_∞h

301

Br₂⁺

bromine diatomic cation

²Π_g

D_∞h

302

HCF

Fluoromethylene

¹A^'

C_s

303

HCF

Fluoromethylene

³A^"

C_s

304

HOCl

hypochlorous acid

¹A^'

C_s

305

HOCl⁺

hypochlorous acid cation

306

F₂H⁺

Fluorine, protonated

¹A^'

C_s

307

ClFH⁺

Chlorine fluoride, F-protonated

308

FClH⁺

Chlorine fluoride, Cl-protonated

309

Cl₂H⁺

Chlorine, protonated

¹A^'

C_s

310

CH₂Br

bromomethyl radical

311

CH₂F

fluoromethyl radical

²A

C_s

312

CH₂F⁺

fluoromethyl cation

313

CH₂Cl⁺

chloromethyl cation

314

CH₂Cl

chloromethyl radical

²A^'

C_s

315

CH₂Cl

chloromethyl radical

²B₁

C_2v

316

NH₂Cl

chloramine

¹A^'

C_s

317

CH₃F⁺

methyl fluoride cation

318

CH₃F

Methyl fluoride

¹A₁

C_3v

319

CH₃Cl

Methyl chloride

¹A₁

C_3v

320

SiH₃Cl

chlorosilane

¹A₁

C₁

321

CH₃Br

methyl bromide

¹A₁

C_3v

322

SiH₃Br

bromosilane

¹A₁

C_3v

323

CH₃ClH⁺

methyl chloride, protonated

324

NH₄Cl

Ammonium chloride

325

LiNe⁺

Lithium Neon cation

326

Ar₂

Argon diatomic

¹S_g

D_∞h

327

Ar₂⁺

Argon diatomic cation

²Σ_u

D_∞h

328

C₃

carbon trimer

¹Σ_g

D_∞h

329

C₃

carbon trimer

¹A₁

C_2v

330

C₃H₄

cyclopropene

¹A₁

C_2v

331

CH₃CCH

propyne

¹A^'

C_3v

332

CH₂CHCH₃

Propene

¹A^'

C_s

333

C₃H₇

n-Propyl radical

²A^"

C₁

334

C₃H₇⁺

cyclopropane, protonated

335

CH₃CHCH₃⁺

Isopropyl cation

¹A

C₂

336

C₃H₈

Propane

¹A₁

C_2v

337

Si₃H₈

trisilane

338

LiCN

lithium cyanide

¹Σ

C*V LiCN

339

KCN

Potassium cyanide

¹Σ

C_∞v

340

KCN

Potassium cyanide

¹Σ

C_∞v

341

KCN

Potassium cyanide

¹A^'

C_s

342

ZnCN

Zinc monocyanide

²Σ

C_∞v

343

ZnNC

Zinc isocyanide

²Σ

C_∞v

344

N₃

azide radical

²Π_g

D_∞h

345

N₃⁺

azide cation

³Σ_g

D_∞h

346

N₃⁺

azide cation

³Σ

C_∞v

347

HN₃⁺

Hydrazoic acid cation

348

HNCNH

diiminomethane

¹A

C₂

349

HNNNH⁺

1,2-Triazadienium

350

NH₂NN⁺

hydrazoic acid, protonated

351

CH₃CN

Acetonitrile

¹A₁

C_3v

352

CH₃CN^-

acetonitrile anion

²E

C_3v

353

CHNCH₂

2H-Azirine

354

CHNHCH

1H-Azirine

355

H₂CCNH

Ethenimine

356

H₂CNCH

methyleneaminomethylene

357

HCCNH₂

Ethynamine

358

HCNCH₂⁺

2H-Azirine cation

359

HNCNH₂⁺

diiminomethane, protonated

¹A^'

C_s

360

NCNH₃⁺

Cyanamide, protonated

¹A₁

C_3v

361

NH₂CNH⁺

cyanamide, cn protonated

362

NH₃CN⁺

cyanamide, amine protonated

363

C₂H₅NH⁺

Protonated Aziridine

¹A₁

C_2v

364

C₂H₆N⁺

aziridine, protonated

¹A₁

C_2v

365

CH₃CH₂NH₂

Ethylamine

366

CH₃PHCH₃

dimethylphosphine

¹A^'

C_s

367

(CH₃)₂NH₂⁺

dimethylammonium cation

¹A₁

C_2v

368

CH₃CH₂NH₃⁺

ethylamine, protonated

¹A^'

C_s

369

Li₂O

dilithium oxide

¹Σ_g

D_∞h

370

Na₂O

disodium monoxide

¹Σ_g

Linear

371

Na₂O

disodium monoxide

¹A₁

C_2v

372

Na₂S

Sodium sulfide

373

Na₂S

Sodium sulfide

374

NaO₂

Sodium superoxide

375

NCO

isocyanato radical

²Π

C_∞v

376

N₂O

Nitrous oxide

¹Σ

C_∞v

377

N₂O^-

Nitrous oxide anion

²A^'

C_s

378

OCS

Carbonyl sulfide

¹Σ

C_∞v

379

CS₂

Carbon disulfide

¹Σ_g

D_∞h

380

OCSe

Carbonyl selenide

¹Σ

C_∞v

381

SCSe

Carbon sulfide selenide

382

NO₂

Nitrogen dioxide

²A₁

C_2v

383

NO₂⁺

Nitrogen dioxide cation

¹Σ_G

D_∞h

384

NSO

sulfinyl amidogen

385

SNO

Nitrogen oxide sulfide

386

O₃

Ozone

¹A₁

C_s

387

S₃

Sulfur trimer

¹A₁

C_2v

388

S₃

Sulfur trimer

389

SeO₂

Selenium dioxide

¹A₁

C_2v

390

SeO₂⁺

Selenium dioxide cation

²A₁

C_2v

391

HCCO

ketenyl radical

²Π

C_∞v

392

HCCO

ketenyl radical

²A^"

C_s

393

HNCS

Isothiocyanic acid

394

HNCS

Isothiocyanic acid

395

HSCN

thiocyanic acid

¹A^'

C_s

396

HNNO⁺

Nitrous oxide, N-protonated

¹A^'

C_s

397

NNOH⁺

Nitrous Oxide, O-protonated

¹A^'

C_s

398

HOCO

Hydrocarboxyl radical

¹A^'

cis

399

HOCO

Hydrocarboxyl radical

¹A^'

trans

400

O₃H⁺

protonated ozone

¹A^'

C_s

401

O₃H⁺

protonated ozone

402

SO₂H⁺

protonated sulfur dioxide

¹A^'

C_s

403

C₂H₂O

Oxirene

¹A₁

C_2v

404

CH₂CO

Ketene

¹A₁

C_2v

405

CH₂CS

Thioketene

406

Be(OH)₂

Beryllium hydroxide

407

Be(OH)₂

Beryllium hydroxide

408

Be(OH)₂

Beryllium hydroxide

409

H₂COO

Dioxymethyl radical

²A^'

C_s

410

H₂COO⁺

dioxymethyl cation

²A^'

C_s

411

HCOOH

Formic acid

¹A^'

C_s

412

HCOOH

Formic acid

413

CH₂BOH

hydroxy(methylene)borane

¹A^'

C_s

414

BH₃CO

Borane carbonyl

¹A₁

C_3v

415

CH₃BO

Borane, methyloxo-

¹A₁

C_3v

416

CH₂COH⁺

ketene, protonated

417

CH₂NOH

formaldoxime

¹A^'

C_s

418

CH₃NO

nitrosomethane

¹A^'

C_s

419

CNOH₃

1,2-oxaziridine

¹A

C₁

420

HOCHNH

hydroxymethylimine

¹A^'

CS H all up

421

CHSNH₂

thioformamide

422

NHCHSH

Methanimidothioic acid

423

C₂H₄O

Ethylene oxide

¹A₁

C_2v

424

C₂H₄O⁺

ethylene oxide cation

425

CH₃CHO

Acetaldehyde

¹A^'

C_s

426

CH₃CHO⁺

acetaldehyde cation

427

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

428

C₂H₄S

Thiirane

¹A₁

C_2v

429

CH₂CHSH

Ethenethiol

430

CH₃CHS

Thioacetaldehyde

¹A^'

C₁

431

NH₂CHOH⁺

Formamide, O-protonated

432

CH₃SSH

Hydrogen methyl disulfide

433

HSCH₂SH

Methanedithiol

434

C₂H₄OH⁺

ethylene oxide, protonated

¹A^'

C_s

435

CH₃CHOH

1-hydroxy-ethyl radical

²A

C₁

436

CH₃CHOH⁺

acetaldehyde, protonated

¹A^'

C_s

437

NH₂CH₂OH

aminomethanol

438

CH₃CH₂SH

ethanethiol

¹A^'

C_s

439

CH₃SCH₃

Dimethyl sulfide

¹A₁

C_2v

440

CH₃SCH₃⁺

dimethyl sulfide cation

441

CH₃SeCH₃

dimethylselenide

¹A₁

C_2v

442

CNF

iso cyanogen fluoride

¹Σ

C_∞v

443

BrCN

Cyanogen bromide

¹Σ

C_∞v

444

ICN

Cyanogen iodide

¹Σ

C_∞v

445

CaBr₂

Calcium dibromide

446

BF₂

Boron difluoride radical

²A₁

C_2v

447

FNS

Thionitrosyl fluoride

¹A^'

C_s

448

FSN

Thiazyl fluoride

¹A^'

C_s

449

OPCl

Phosphorus oxychloride

450

INO

Nitrosyl iodide

¹A^'

C_s

451

CF₂

Difluoromethylene

¹A₁

D_∞h

452

CFCl

chlorofluoromethylene

¹A^'

C_s

453

SiF₂⁺

Silicon difluoride cation

²A₁

C_2v

454

CBr₂

dibromomethylene

¹A₁

C_2v

455

CBr₂

dibromomethylene

³B₁

C_2v

456

OClO^-

Chlorine dioxide anion

¹A^'

C_s

457

ClSO

Sulfur chloride oxide

²A^"

C_s

458

BrOO

Bromine dioxide

459

OBrO

Bromine dioxide radical

²B₁

C_2v

460

PF₂

Phosphorus difluoride

461

FClO

chlorosyl fluoride

¹A^'

C_s

462

ClOF

Chlorine hypofluorite

¹A^'

C_s

463

SF₂

sulfur difluoride

¹A₁

C_2v

464

SFCl

Sulfur chloride fluoride

465

HCCBr

bromoacetylene

¹Σ

C_∞v

466

CHCl₂

dichloromethyl radical

²B₁

C_2v

467

CHCl₂

dichloromethyl radical

²A^'

C_s

468

CHF₂⁺

difluoromethyl cation

469

CHFCl

Chlorofluoromethyl radical

470

CHFCl⁺

Chlorofluoromethyl cation

471

CHCl₂⁺

dichloromethyl cation

472

CHBr₂

dibromomethyl radical

473

NHF₂

difluoramine

474

NHCl₂

dichloroamine

475

SiH₂F₂

difluorosilane

476

CH₂Cl₂

Methylene chloride

¹A₁

C_2v

477

CH₂BrF

Methane, bromofluoro-

¹A^'

C_s

478

CH₂BrCl

Methane, bromochloro-

¹A^'

C_s

479

CH₂FI

fluoroiodomethane

480

CH₂I₂

Diiodomethane

481

SiH₂Cl₂

dichlorosilane

¹A₁

C_2v

482

C₂H₃I

Vinyl iodide

483

CH₂FOH

fluoromethanol

484

CH₂CH₂Cl

2-chloroethyl radical

²A^'

C_s

485

CHClCH₃

1-chloroethyl radical

²A

C₁

486

XeF₂

Xenon difluoride

487

C₄

Carbon tetramer

³Σ_g

D_∞h

488

C₄

Carbon tetramer

489

C₄H₂⁺

diacetlyene cation

²Π_g

D_∞h

490

C₄H₄

Tetrahedrane

491

CH₂CHCH₂CH₃

1-Butene

¹A

C₁

492

CH₃CH₂CH₂CH₃

Butane

¹A_g

Anti

493

CH₃CH₂CH₂CH₃

Butane

¹A

Gauche

494

C₂N₂

Cyanogen

¹Σ_g

D_∞h

495

As₄

Arsenic tetramer

¹A₁

T_d

496

HCCCN⁺

Cyanoacetylene cation

²Π

C_∞v

497

H₂CNCN

cyanamide, methylene

498

HNCCNH

Ethenediimine

499

CH₃N₃

methyl azide

¹A^'

C_s

500

NH₂CCNH₂

Diaminoacetylene

¹A

C₂

501

NH₂CCNH₂

Diaminoacetylene

¹A₁

D_2d

502

NH₂CH₂CN

Aminoacetonitrile

¹A^'

C_s

503

CH₃NHN₂⁺

methyl azide, protonated

¹A

C₁

504

C₄H₆

Bicyclo[1.1.0]butane

¹A₁

C_2v

505

H₂NCHCHNH₂

diaminoethylene

506

CH₇N₃

triaminomethane

507

C₄H₈

cyclobutane

¹A₁

D_2d

508

NH₂CH₂CH₂CH₃

1-Propanamine

¹A^'

C_s

509

N(SiH₃)₃

trisilylamine

510

(CH₃)₃NH⁺

protonated trimethyl amine

511

C₃H₇NH₃⁺

n-propylamine, protonated

¹A^'

C_s

512

C₃O

Tricarbon monoxide

¹Σ

C_∞v

513

ONNO

NO dimer

¹A_g

trans C2H

514

ONNO

NO dimer

¹A₁

cis C2V

515

S₂N₂

Disulfur dinitride

¹A_G

D_2h

516

CS₃^--

Carbonotrithioate

517

NO₃^-

nitrate anion

¹A₁^'

D_3h

518

SO₃

Sulfur trioxide

¹A₁^'

D_3h

519

S₄

Sulfur tetramer

520

S₄

Sulfur tetramer

521

S₄

Sulfur tetramer

522

NH₂NO₂

nitramide

¹A^'

C_s

523

C₃H₂O

Propadienal

524

C₃H₂O

Propadienal

525

CH₃NCO

methylisocyante

526

HOCH₂CN

cyanomethanol

527

CH₃NO₂

Methane, nitro-

¹A^'

C_s

528

H₃AlO₃

Aluminum hydroxide

529

NH₂CONH₂

Urea

¹A₁

C_2v

530

NH₂COOH₂⁺

Carbamic acid, O-protonated

¹A

C₁

531

NH₃COOH⁺

protonated Carbamic acid

¹A^'

C_s

532

CH₂C(OH)NH₂

1-amino vinyl alchohol

533

CH₃C(OH)=NH

Ethaninidic acid

534

CH₃CHNOH

Acetaldoxime

¹A^'

CS cis

535

HCONHCH₃

N-methylformamide

¹A^'

CS cis

536

HCONHCH₃

N-methylformamide

¹A^'

CS trans

537

CH₃CSNH₂

Ethanethioamide

538

CH₅N₂O⁺

urea, N-protonated

¹A^'

C_s

539

H₂NCOHNH₂⁺

urea, protonated

¹A^'

C_s

540

C₃H₅OH

Cyclopropanol

¹A

C₁

541

C₃H₆O

Acetone enol

¹A^'

C_s

542

CH₃CH₂CHO

Propanal

¹A^'

C_s

543

Li₂F₂

Lithium fluoride dimer

544

FNO₂

Nitryl fluoride

¹A₁

C_2v

545

FONO

Nitrosyl hypofluorite

¹A^'

CS cis

546

ClONO

chlorine nitrite

¹A^'

CS cis

547

CF₂O⁺

Carbonic difluoride cation

548

BF₃⁺

boron trifluoride cation

549

BCl₃

Borane, trichloro-

¹A₁^'

D_3h

550

CF₂Cl

difluorochloromethyl radical

551

SiF₃

Silicon trifluoride radical

²A₁

C_3v

552

SiF₃⁺

Silicon trifluoride cation

¹A₁^'

D_3h

553

CFCl₂

dichlorofluoromethyl radical

554

CBr₃

tribromomethyl radical

555

ClO₂F

Chloryl fluoride

¹A^'

C_s

556

ClOOCl

Dichlorine dioxide

¹A

C₂

557

SSCl₂

Thiothionyl chloride

558

NCl₃

nitrogen trichloride

¹A₁

C_3v

559

AsCl₃

Arsenous trichloride

¹A₁

C_3v

560

NBr₃

Nitrogen Tribromide

¹A₁

C_3v

561

NI₃

Nitrogen triiodide

562

ClF₃

Chlorine trifluoride

¹A₁^'

D_3h

563

ClF₃

Chlorine trifluoride

¹A₁

C_2v

564

HClO₃

Chloric Acid

¹A^'

C_s

565

HClO₃

Chloric Acid

¹A

C₁

566

SiHF₃

trifluorosilane

567

CHFClBr

fluorochlorobromomethane

¹A

C₁

568

CHBrCl₂

Methane, bromodichloro-

¹A^'

C_s

569

CHBr₂F

dibromofluoromethane

570

NF₃H⁺

protonated nitrogen trifluoride

¹A₁

C_3v

571

AsF₃H⁺

Arsenic trifluoride, protonated

572

C₂H₂ClF

1-chloro-1-fluoroethylene

¹A^'

C_s

573

CHFCHCl

(E)-1-chloro-2-fluoroethene

¹A^'

C_s

574

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

¹A^'

C_s

575

CHBrCHBr

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

576

CHBrCHBr

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

577

C₂H₄F₂

1,2-difluoroethane

¹A_g

C2H anti

578

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

¹A^'

C_s

579

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

¹A

C₁

580

CH₂CHCH₂F

Allyl Fluoride

581

CH₃CHCHF

trans-1-Fluoro-1-propene

582

CH₂ClCH₂OH

2-Chloroethanol

¹A^'

C_s

583

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

¹A

C₁

584

CH₂FCH₂CH₃

1-Fluoropropane

¹A^'

C_s

585

CH₃CHFCH₃

2-Fluoropropane

¹A^'

C_s

586

B₅H₉

pentaborane9

587

C₅H₄

pentatetraene

588

C₅H₆

Propellane

¹A₁

D_3h

589

C₅H₈

Bicyclo[1.1.1]pentane

590

C₃H₄N₂

1H-Imidazole

¹A^'

C_s

591

C₃H₄N₂

2H-Imidazole

¹A₁

C_2v

592

C₃H₄N₂

4H-Imidazole

¹A^'

C_s

593

C₄H₅N

Pyrrole

¹A₁

C_2v

594

C₄H₆N⁺

pyrrole, alpha-protonated

¹A^'

C_s

595

C₄H₆N⁺

pyrrole, beta-protonated

¹A^'

C_s

596

C₄H₆N⁺

pyrrole, protonated

¹A₁

C_2v

597

NH(C₂H₅)₂

diethylamine

¹A^'

C_s

598

C₃O₂

Carbon suboxide

¹Σ_G

D_∞h

599

MgCO₃

Magnesium Carbonate

¹A₁

C_2v

600

BeCO₃

Beryllium Carbonate

¹A₁

C_2v

601

CHOOCHO

diformyl ether

602

CH₃COCCH

3-butyn-2-one

¹A^'

C_s

603

C₄H₄Se

selenophene

604

CH₃OCH₂CN

Methoxyacetonitrile

¹A^'

C_s

605

CH₃OCH₂CN

Methoxyacetonitrile

¹A

C₁

606

CH₃SO₂NH₂

methanesulfonamide

¹A^'

C_s

607

CH₂CHSCHCH₂

Divinyl sulfide

608

HCOOC₂H₅

Ethyl formate

¹A^'

C_s

609

C₂H₆O₂S

Dimethyl sulfone

¹A₁

C_2v

610

C₄H₈S

Thiophene, tetrahydro-

¹A

C₁

611

C₄H₁₀O

Methyl propyl ether

¹A

C₁

612

C₄H₉SH

1-Butanethiol

613

CF₃Br

Bromotrifluoromethane

¹A₁

C_3v

614

CBrCl₂F

bromodichlorofluoromethane

615

CBr₂ClF

dibromochlorofluoromethane

616

CBr₂Cl₂

dibromodichloromethane

¹A₁

C_2v

617

CFBr₃

fluorotribromomethane

¹A₁

C_3v

618

CBr₃Cl

tribromochloromethane

¹A₁

C_3v

619

SiBr₄

Silicon tetrabromide

¹A₁

T_d

620

CI₄

tetraiodomethane

621

ClOF₃

Chlorine trifluoride oxide

¹A^'

C_s

622

SF₄

Sulfur tetrafluoride

¹A₁

C_2v

623

SeF₄

Selenium tetrafluoride

624

CH₂ClCCCl

1,3-dichloropropyne

625

CHCl₂CCH

3,3-dichloropropyne

626

PF₃CH₂

phosphorane, trifluoromethylene-

¹A^'

C_s

627

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

¹A

C₁

628

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

¹A₁

C_2v

629

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

¹A

C₁

630

XeF₄

Xenon tetrafluoride

631

C₂H₂N₂O

Furazan

632

NH₃BF₃

Amminetrifluoroboron

¹A₁

C_3v

633

C₆H₆

Prismane

634

C₆H₆

1,2,4,5-Hexatetraene

¹A_g

C_2h

635

C₆H₆

Benzvalene

¹A₁

C_2v

636

C₆H₆

Dewar Benzene

637

C₆H₆

Hexa-1,5-diene-3-yne

¹A_g

C_2h

638

C₆H₇⁺

benzene, protonated

¹A₁

C_2v

639

C₆H₁₀

3-Hexyne

¹A₁

C_2v

640

N₃P₃

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

641

MgSO₄

Magnesium Sulfate

¹A₁

C_2v

642

C₃H₂O₃

vinylene carbonate

643

C₂H₂O₄

Oxalic Acid

¹A_g

C_2h

644

C₂H₄N₂S₂

Ethanedithioamide

¹A_G

C_2h

645

C₅H₆O

2H-Pyran

646

C₅H₆O

Pentadienal

647

C₄H₆O₂

γ–Butyrolactone

¹A

C₁

648

C₃H₆O₃

1,3,5-Trioxane

¹A₁

C₁

649

C₃H₆S₃

1,3,5-Trithiane

¹A₁

C_3v

650

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

¹A

C₂

651

C₅H₁₀O

3-Pentanone

¹A₁

C_2v

652

C₄F₂

difluorobutadiyne

653

ClCOClCO

Oxalyl chloride

¹A_G

C_2h

654

CF₂CCl₂

difluorodichloroethylene

¹A₁

C_2v

655

CFClCClF

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

¹A_G

C_2h

656

CFClCFCl

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

¹A₁

C_2v

657

SiF₅^-

silicon pentafluoride anion

658

SOF₄

Sulfur tetrafluoride oxide

¹A₁

C_2v

659

SF₅⁺

pentafluoro sulfur cation

¹A₁^'

D_3h

660

CHFClCHClF

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

¹A_G

C_i

661

CHFClCHFCl

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

¹A

C₂

662

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

663

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

¹A^'

C_s

664

C₄H₃ClO

Furan, 2-chloro

¹A^'

C_s

665

C₄H₃ClO

Furan,3-chloro

¹A^'

C_s

666

C₄H₈O₂

Butanoic acid

¹A

C₁

667

C₇H₇

cycloheptatrienyl radical

²A₂

C_2v

668

C₇H₇⁺

cycloheptatrienyl cation

¹A₁^'

D_7h

669

CH(CN)₃

tricyanomethane

670

C₆H₁₂O

Oxepane

671

F₂CCCF₂

tetrafluoroallene

672

CF₃COO^-

trifluoro acetate anion

¹A^'

C_s

673

CF₃COF

trifluoroacetyl fluoride

¹A^'

C_s

674

PF₆

Hexafluorophosphate neutral

²B₂

C_2v

675

SF₆

Sulfur Hexafluoride

¹A_1G

O_h

676

CF₃CHF₂

pentafluoroethane

¹A^'

C_s

677

S₄N₄

Tetrasulfur tetranitride

678

C₆H₄Cl₂

1,4-dichlorobenzene

679

C₆H₅NO

nitrosobenzene

¹A^'

C_s

680

C₃F₆

hexafluoropropene

681

C₈H₁₈O

1-Octanol

682

C₁₀H₈

naphthalene

¹A_g

D_2h

683

S₂F₁₀

disulphur decafluoride

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 anion	he-
10	HeH	Helium hydride	heh
11	Li	Lithium atom	li
12	Li⁺	Lithium atom cation	li+
13	Na	Sodium atom	na
14	Na^-	Sodium atom anion	na-
15	Na⁺	Sodium atom cation	na+
16	K	Potassium atom	k
17	K^-	Potassium atom anion	k-
18	K⁺	Potassium atom cation	k+
19	Cu	Copper atom	cu
20	Cu^-	Copper atom anion	cu-
21	Cu⁺	Copper atom cation	cu+
22	LiH	Lithium Hydride	lih
23	LiH^-	lithium hydride anion	lih-
24	NaH	sodium hydride	nah
25	NaH^-	sodium hydride anion	nah-
26	NaH⁺	sodium hydride cation	nah+
27	KH⁺	Potassium hydrogen cation	kh+
28	CuH	Copper monohydride	cuh
29	Be	Beryllium atom	be
30	Be^-	Beryllium atom anion	be-
31	Be⁺	Beryllium atom cation	be+
32	Mg	Magnesium atom	mg
33	Mg^-	Magnesium atom anion	mg-
34	Mg⁺	Magnesium atom cation	mg+
35	Ca	Calcium atom	ca
36	Ca^-	Calcium atom anion	ca-
37	Ca⁺	Calcium atom cation	ca+
38	Zn	Zinc atom	zn
39	Zn^-	Zinc atom anion	zn-
40	Zn⁺	Zinc atom cation	zn+
41	BeH	beryllium monohydride	beh
42	BeH^-	berylium monohydride anion	beh-
43	BeH⁺	beryllium monohydride cation	beh+
44	MgH^-	magnesium monohydride anion	mgh-
45	MgH⁺	magnesium monohydride cation	mgh+
46	CaH	Calcium monohydride	cah
47	CaH⁺	Calcium monohydride cation	cah+
48	TiH	Titanium monohydride	tih
49	ZnH	Zinc monohydride	znh
50	BeH₂	beryllium dihydride	beh2
51	CaH₂	Calcium Hydride	cah2
52	ZnH₂	Zinc hydride	znh2
53	B	Boron atom	b
54	B^-	Boron atom anion	b-
55	B⁺	Boron atom cation	b+
56	Sc	Scandium atom	sc
57	Sc⁺	Scandium cation	sc+
58	Ga	Gallium atom	ga
59	Ga^-	Gallium atom anion	ga-
60	Ga⁺	Gallium atom cation	ga+
61	BH^-	boron monohydride anion	bh-
62	BH⁺	boron monohydride cation	bh+
63	AlH	aluminum monohydride	alh
64	AlH^-	aluminum monohydride anion	alh-
65	AlH⁺	aluminum monohydride cation	alh+
66	ScH	Scandium monohydride	sch
67	GaH	Gallium monohydride	gah
68	BH₂	boron dihydride	bh2
69	BH₂^-	boron dihydride anion	bh2-
70	BH₂⁺	Boron dihydride cation	bh2+
71	AlH₂	aluminum dihydride	alh2
72	AlH₂^-	aluminum dihydride anion	alh2-
73	AlH₂⁺	aluminum dihydride cation	alh2+
74	BH₃	boron trihydride	bh3
75	BH₃^-	boron trihydride anion	bh3-
76	AlH₃⁺	aluminum trihydride cation	alh3+
77	ScH₃	Scandium trihydride	sch3
78	GaH₃	Gallium trihydride	gah3
79	AlH₄^-	Aluminum tetrahydride anion	alh4-
80	C^-	Carbon atom anion	c-
81	C⁺	Carbon atom cation	c+
82	Si	Silicon atom	si
83	Si⁺	Silicon atom cation	si+
84	Ti	Titanium atom	ti
85	Ti^-	Titanium atom anion	ti-
86	Ti⁺	Titanium atom cation	ti+
87	Ge	Germanium atom	ge
88	Ge^-	Germanium anion	ge-
89	Ge⁺	Germanium cation	ge+
90	Sn	Tin atom	sn
91	Sn⁺	Tin cation	sn+
92	CH	Methylidyne	ch
93	CH^-	methylidyne anion	ch-
94	CH⁺	Methylidyne cation	ch+
95	SiH	Silylidyne	sih
96	SiH^-	silicon monohydride anion	sih-
97	CH₂	Methylene	ch2
98	CH₂⁺	methylene cation	ch2+
99	SiH₂	silicon dihydride	sih2
100	SiH₂^-	silicon dihydride anion	sih2-
101	SiH₂⁺	silicon dihydride cation	sih2+
102	GeH₂^-	germylene anion	geh2-
103	CH₃	Methyl radical	ch3
104	CH₃^-	methyl anion	ch3-
105	CH₃⁺	methyl cation	ch3+
106	SiH₃	Silyl radical	sih3
107	SiH₃^-	Silyl anion	sih3-
108	GeH₃	Germyl radical	geh3
109	GeH₃⁺	germyl cation	geh3+
110	CD₄	methane-d4	cd4
111	CH₂D₂	methane-d2	ch2d2
112	CH₃D	methane-d	ch3d
113	CH₄⁺	Methane cation	ch4+
114	CHD₃	methane-d3	chd3
115	SiH₄⁺	Silane cation	sih4+
116	SnH₄	Stannane	snh4
117	N^-	Nitrogen atom anion	n-
118	N⁺	Nitrogen atom cation	n+
119	P^-	Phosphorus atom anion	p-
120	P⁺	Phosphorus atom cation	p+
121	V	Vanadium atom	v
122	Sb	Antimony atom	sb
123	NH	Imidogen	nh
124	NH^-	Imidogen anion	nh-
125	NH⁺	imidogen cation	nh+
126	PH^-	phosphorus monohydride anion	ph-
127	PH⁺	phosphorus monohydride cation	ph+
128	AsH	Arsenic monohydride	ash
129	AsH⁺	Arsenic monohydride cation	ash+
130	SbH	Antimony monohydride	sbh
131	ND₂	Amidogen-d2	nd2
132	NH₂^-	amino anion	nh2-
133	PH₂	Phosphino radical	ph2
134	PH₂^-	Phosphino anion	ph2-
135	PH₂⁺	Phosphino cation	ph2+
136	AsH₂	Arsenic dihydride	ash2
137	AsH₂⁺	Arsenic dihydride cation	ash2+
138	ND₃	Ammonia-d3	nd3
139	NH₃⁺	ammonia cation	nh3+
140	AsH₃	Arsine	ash3
141	AsH₃⁺	Arsine cation	ash3+
142	SbH₃	Stibine	sbh3
143	AsH₄⁺	Arsonium	ash4+
144	O^-	Oxygen atom anion	o-
145	O⁺	Oxygen atom cation	o+
146	Cr	Chromium atom	cr
147	Te⁺	Tellurium atom cation	te+
148	DO	Hydroxyl-d	od
149	DS	Mercapto-d	ds
150	HS	Mercapto radical	hs
151	TeH	Telluryl radical	teh
152	D₂O	Deuterium oxide	d2o
153	D₂S	Hydrogen sulfide-d2	d2s
154	H₂S^-	Hydrogen sulfide anion	h2s-
155	H₂Te	Hydrogen Telluride	h2te
156	Mn	Manganese atom	mn
157	I	Iodine atom	iodine
158	I^-	Iodine atom anion	iodine-
159	I⁺	Iodine atom cation	iodine+
160	DF	Hydrofluoric acid-d	df
161	HF	Hydrogen fluoride	hf
162	HF^-	hydrogen fluoride anion	hf-
163	HF⁺	hydrogen fluoride cation	hf+
164	DCl	Hydrochloric acid-d	dcl
165	HCl	Hydrogen chloride	hcl
166	HCl^-	hydrogen chloride anion	hcl-
167	HI	Hydrogen iodide	hi
168	HI⁺	Hydrogen iodide cation	hi+
169	H₂F⁺	dihydrogen fluoride cation	h2f+
170	H₂I⁺	Iodonium	h2i+
171	Ne^-	Neon atom anion	ne-
172	Ne⁺	Neon atom cation	ne+
173	Ar	Argon atom	ar
174	Ar^-	Argon atom anion	ar-
175	Ar⁺	Argon atom cation	ar+
176	Fe	Iron atom	fe
177	NeH	neon hydrogen	neh
178	NeH⁺	neon hydrogen cation	neh+
179	Co	Cobalt atom	cobalt
180	Ni	Nickel atom	ni
181	Li₂	Lithium diatomic	li2
182	Li₂^-	lithium diatomic anion	li2-
183	Li₂⁺	lithium diatomic cation	li2+
184	NaLi	lithium sodium	lina
185	NaLi^-	lithium sodium anion	lina-
186	NaLi⁺	lithium sodium cation	lina+
187	LiK	Lithium Potassium	lik
188	Na₂	Sodium diatomic	na2
189	NaK	Sodium Potassium	nak
190	K₂	Potassium diatomic	k2
191	Cu₂	Copper diatomic	cu2
192	LiBe	Lithium Beryllium	libe
193	LiMg	Lithium magnesium	limg
194	NaBe	Sodium Beryllium	nabe
195	NaMg	Sodium Magnesium	namg
196	Be₂	Beryllium diatomic	be2
197	Be₂^-	Beryllium diatomic anion	be2-
198	Be₂⁺	Beryllium diatomic cation	be2+
199	Mg₂	Magnesium diatomic	mg2
200	Mg₂^-	magnesium diatomic anion	mg2-
201	Mg₂⁺	magnesium diatomic cation	mg2+
202	Ca₂	Calcium diatomic	ca2
203	LiB	Lithium boride	lib
204	BeB	Beryllium monoboride	beb
205	B₂	Boron diatomic	b2
206	B₂^-	Boron diatomic anion	b2-
207	B₂⁺	Boron diatomic cation	b2+
208	Al₂	Aluminum diatomic	al2
209	Al₂^-	aluminum diatomic anion	al2-
210	Al₂⁺	aluminum diatomic cation	al2+
211	Ga₂	Gallium diatomic	ga2
212	LiBH₄	Lithium borohydride	libh4
213	Al₂H₆	dialane	al2h6
214	Ga₂H₆	digallane	ga2h6
215	LiC	Lithium Carbide	lic
216	BeC	Beryllium Carbide	bec
217	BC	boron monocarbide	bc
218	BC^-	boron monocarbide anion	bc-
219	BC⁺	boron monocarbide cation	bc+
220	AlC	Aluminum carbide	alc
221	C₂	Carbon diatomic	c2
222	C₂^-	carbon diatomic anion	c2-
223	C₂⁺	carbon diatomic cation	c2+
224	SiC	silicon monocarbide	sic
225	SiC^-	silicon monocarbide anion	sic-
226	SiC⁺	silicon monocarbide cation	sic+
227	Si₂	Silicon diatomic	si2
228	Si₂^-	silcon diatomic anion	si2-
229	Si₂⁺	silcon diatomic cation	si2+
230	GeC	Germanium monocarbide	gec
231	Ge₂	Germanium diatomic	ge2
232	C₂H⁺	Ethynyl cation	c2h+
233	ZnCH₂	Zinc methylene	znch2
234	C₂H₂	Acetylene	c2h2
235	CCH₂	vinylidene	vinylidene
236	Si₂H₂	disilyne	si2h2
237	CuCH₃	monomethyl copper	cuch3
238	ZnCH₃	Zinc monomethyl	znch3
239	C₂H₄	Ethylene	c2h4
240	C₂H₄^-	Ethylene anion	c2h4-
241	CH₃CH	methylmethylene	ch3ch
242	CH₂SiH₂	silaethylene	ch2sih2
243	C₂H₅^-	Ethyl anion	c2h5-
244	C₂H₅⁺	Ethyl cation	c2h5+
245	C₂H₆⁺	ethane cation	c2h6+
246	CH₃SiH₃	methyl silane	ch3sih3
247	GeH₃CH₃	methyl germane	geh3ch3
248	C₂H₇⁺	Ethane, protonated	c2h7+
249	LiN	Lithium Nitride	lin
250	LiN⁺	Lithium Nitride cation	lin+
251	BeN	Beryllium mononitride	ben
252	BeN^-	Beryllium mononitride anion	ben-
253	BeN⁺	Beryllium mononitride cation	ben+
254	BN^-	boron nitride anion	bn-
255	AlN^-	aluminum mononitride anion	aln-
256	AlN⁺	aluminum mononitride cation	aln+
257	AlP	Aluminum monophosphide	alp
258	GaN	Gallium mononitride	gan
259	GaAs	Gallium arsenide	gaas
260	BN	boron nitride	bn
261	BN⁺	boron nitride cation	bn+
262	AlN	Aluminum nitride	aln
263	CN^-	cyanide anion	cn-
264	CN⁺	Cyano cation	cn+
265	CP	Carbon monophosphide	cp
266	CP^-	carbon monophosphide anion	cp-
267	CP⁺	carbon monophosphide cation	cp+
268	SiN	Silicon nitride	sin
269	SiN^-	silicon mononitride anion	sin-
270	SiN⁺	silicon mononitride cation	sin+
271	SiP^-	Silicon monophosphide anion	sip-
272	SiP⁺	Silicon monophosphide cation	sip+
273	TiN	Titanium mononitride	tin
274	N₂⁺	diatomic nitrogen cation	n2+
275	PN	Phosphorus mononitride	pn
276	PN^-	phosphorus nitride anion	pn-
277	PN⁺	phosphorus nitride cation	pn+
278	P₂	Phosphorus diatomic	p2
279	P₂^-	phosphorus diatomic anion	p2-
280	P₂⁺	phosphorus diatomic cation	p2+
281	AsN	Arsenic mononitride	asn
282	AsP	Arsenic monophosphide	asp
283	SbN	Antimony nitride	sbn
284	As₂	Arsenic diatomic	as2
285	HNB	hydrogen nitrogen boron	hnb
286	HNC	hydrogen isocyanide	hnc
287	HCN^-	Hydrogen cyanide anion	hcn-
288	HCP	Phosphaethyne	hcp
289	HCP⁺	Phosphaethyne cation	hcp+
290	NNH	Dinitrogen monohydride	nnh
291	HPO	Hydrogen phosphorus oxide	hpo
292	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
293	CNH₂	Aminomethylidyne radical	cnh2
294	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
295	H₂CN	Dihydrogen cyanide radical	h2cn
296	H₂CN⁺	hydrocyanonium cation	h2cn+
297	HCNH	methyleneazane	hcnh
298	HCNH⁺	N-protonated HCN	hcnh+
299	H₂NN	Isodiazene	h2nn
300	N₂H₂	(E)-diazene	n2h2
301	N₂H₂	(Z)-Diazene	n2h2z
302	CH₂PH	Phosphaethene	ch3p
303	N₂H₄⁺	hydrazine cation	n2h4+
304	P₂H₄	Diphosphine	p2h4
305	CH₃NH₂⁺	methyl amine cation	ch3nh2+
306	CH₃PH₂	Methyl phosphine	ch3ph2
307	CH₃NH₃⁺	protonated methylamine	ch3nh3+
308	NH₃NH₃	Ammonia Dimer	nh3nh3
309	LiO	lithium oxide	lio
310	LiO^-	lithium oxide anion	lio-
311	LiO⁺	lithium oxide cation	lio+
312	LiS	Lithium monosulfide	lis
313	LiS⁺	Lithium sulfide cation	lis+
314	NaO	sodium monoxide	nao
315	NaO^-	sodium oxide anion	nao-
316	NaO⁺	sodium oxide cation	nao+
317	KO	Potassium monoxide	ko
318	KO⁺	Potassium monoxide cation	ko+
319	NaS	Sodium sulfide	nas
320	CuO	Copper Monoxide	cuo
321	LiSe	Lithium monoselenide	lise
322	BeO	beryllium oxide	beo
323	BeO^-	Beryllium monoxide anion	beo-
324	BeO⁺	Beryllium monoxide cation	beo+
325	BeS	beryllium sulfide	bes
326	MgO	magnesium oxide	mgo
327	MgO^-	magnesium oxide anion	mgo-
328	MgO⁺	magnesium oxide cation	mgo+
329	MgS	magnesium sulfide	mgs
330	MgS^-	magnesium sulfide anion	mgs-
331	MgS⁺	magnesium sulfide cation	mgs+
332	ZnO	zinc monoxide	zno
333	ZnS	Zinc sulfide	zns
334	BeS^-	Beryllium monosulfide anion	bes-
335	BeS⁺	Beryllium monosulfide cation	bes+
336	BO^-	boron monoxide anion	bo-
337	AlO	Aluminum monoxide	alo
338	AlO^-	Aluminum monoxide anion	alo-
339	AlO⁺	aluminum monoxide cation	alo+
340	BS	boron sulfide	bs
341	BS^-	boron monosulfide anion	bs-
342	BS⁺	boron monosulfide cation	bs+
343	AlS	Aluminum sulfide	als
344	AlS^-	aluminum monosulfide anion	als-
345	AlS⁺	aluminum monosulfide cation	als+
346	ScO	Scandium monoxide	sco
347	GaO	Gallium monoxide	gao
348	GaS	Gallium monosulfide	gas
349	BO⁺	boron monoxide cation	bo+
350	CS	carbon monosulfide	cs
351	CS^-	carbon monosulfide anion	cs-
352	CS⁺	carbon monosulfide cation	cs+
353	SiO	Silicon monoxide	sio
354	SiO^-	silicon monoxide anion	sio-
355	SiO⁺	silicon monoxide cation	sio+
356	SiS	silicon monosulfide	sis
357	SiS^-	silicon monosulfide anion	sis-
358	SiS⁺	silicon monosulfide cation	sis+
359	TiO	Titanium monoxide	tio
360	CSe	Carbon monoselenide	cse
361	CSe^-	Carbon monoselenide anion	cse-
362	CSe⁺	Carbon monoselenide cation	cse+
363	GeSe	Germanium monoselenide	gese
364	NS^-	nitrogen sulfide anion	ns-
365	NS⁺	nitrogen sulfide cation	ns+
366	PO^-	phosphorus monoxide anion	po-
367	PO⁺	phosphorus monoxide cation	po+
368	PS^-	phosphorus monosulfide anion	ps-
369	PS⁺	phosphorus monosulfide cation	ps+
370	VO	Vanadium monoxide	vo
371	AsO	Arsenic monoxide	aso
372	O₂	Oxygen diatomic	o2
373	O₂^--	dioxygen dianion	o2--
374	O₂⁺	diatomic oxygen cation	o2+
375	SO	Sulfur monoxide	so
376	SO^-	sulfur monoxide anion	so-
377	S₂^-	sulfur diatomic anion	s2-
378	S₂⁺	sulfur diatomic cation	s2+
379	SeO^-	selenium monoxide anion	seo-
380	SeO⁺	selenium monoxide cation	seo+
381	SeS	Selenium monosulfide	ses
382	SeS^-	selenium monosulfide anion	ses-
383	SeS⁺	selenium monosulfide cation	ses+
384	TeO	Tellurium monoxide	teo
385	Se₂	Selenium diatomic	se2
386	Se₂^-	selenium diatomic anion	se2-
387	Se₂⁺	selenium diatomic cation	se2+
388	Te₂	Tellurium diatomic	te2
389	NaOH	sodium hydroxide	naoh
390	MgOH	magnesium hydroxide	mgoh
391	CaOH	Calcium monohydroxide	caoh
392	HBS	hydrogen boron sulfide	hbs
393	HCO	Formyl radical	hco
394	HCO⁺	Formyl cation	hco+
395	HCS	Thioformyl radical	hcs
396	HCS^-	Thioformyl anion	hcs-
397	HCS⁺	Thioformyl cation	hcs+
398	HNO	Nitrosyl hydride	hno
399	HNO^-	Nitrosyl hydride anion	hno-
400	HNS	Sulfur imide	hns
401	HNS^-	Sulfur imide anion	hns-
402	HO₂	Hydroperoxy radical	ho2
403	HO₂^-	Hydroperoxy anion	ho2-
404	HS₂	Thiosulfeno radical	hs2
405	HOCH	hydroxycarbene	hoch
406	H₂CSe	Selenoformaldehyde	h2cse
407	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
408	H₂Se₂	hydrogen diselenide	h2se2
409	CH₂OH	Hydroxymethyl radical	ch2oh
410	CH₃O	Methoxy radical	ch3o
411	CH₃S	thiomethoxy	ch3s
412	NH₃O	Ammonia Oxide	nh3o
413	H₂POH	Phosphinous acid	h2poh
414	H₃PO	Phosphine oxide	h3po
415	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
416	CH₃OH^-	Methyl alcohol anion	ch3oh-
417	CH₃OH⁺	Methyl alcohol cation	ch3oh+
418	CH₃SeH	Methane selenol	ch3seh
419	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
420	H₂ONH₃	Water Ammonia Dimer	h2onh3
421	LiCl^-	lithium chloride anion	licl-
422	LiCl⁺	lithium chloride cation	licl+
423	NaF	sodium fluoride	naf
424	NaF^-	sodium fluoride anion	naf-
425	KF	Potassium Fluoride	kf
426	NaCl	Sodium Chloride	nacl
427	NaCl^-	sodium chloride anion	nacl-
428	NaCl⁺	sodium chloride cation	nacl+
429	KCl	Potassium Chloride	kcl
430	CuF	Copper monofluoride	cuf
431	LiBr^-	lithium bromide anion	libr-
432	LiBr⁺	lithium bromide cation	libr+
433	CuCl	Copper monochloride	cucl
434	NaBr	Sodium Bromide	nabr
435	NaBr^-	sodium bromide anion	nabr-
436	NaBr⁺	sodium bromide cation	nabr+
437	KBr	Potassium Bromide	kbr
438	KI	Potassium Iodide	ki
439	LiF^-	lithium fluoride anion	lif-
440	BeF	Beryllium monofluoride	bef
441	BeF^-	Beryllium monofluoride anion	bef-
442	BeF⁺	Beryllium monofluoride cation	bef+
443	BeCl	beryllium monochloride	becl
444	MgF	Magnesium monofluoride	mgf
445	MgF^-	magnesium fluoride anion	mgf-
446	MgF⁺	magnesium fluoride cation	mgf+
447	CaF	Calcium monofluoride	caf
448	MgCl	magnesium monochloride	mgcl
449	MgCl^-	magnesium monochloride anion	mgcl-
450	MgCl⁺	magnesium monochloride cation	mgcl+
451	CaCl	calcium monochloride	cacl
452	ZnF^-	Zinc monofluoride anion	znf-
453	ZnF⁺	Zinc monofluoride cation	znf+
454	ZnCl	Zinc monochloride	zncl
455	BeCl^-	beryllium monochloride anion	becl-
456	BeCl⁺	beryllium monochloride cation	becl+
457	BF	Boron monofluoride	bf
458	BF^-	Boron monofluoride anion	bf-
459	BF⁺	Boron monofluoride cation	bf+
460	AlF	Aluminum monofluoride	alf
461	AlF^-	Aluminum monofluoride anion	alf-
462	AlF⁺	Aluminum monofluoride cation	alf+
463	BCl	boron monochloride	bcl
464	BCl^-	boron monochloride anion	bcl-
465	BCl⁺	boron monochloride cation	bcl+
466	AlCl	Aluminum monochloride	alcl
467	AlCl^-	aluminum monochloride anion	alcl-
468	AlCl⁺	aluminum monochloride cation	alcl+
469	ScF	Scandium monofluoride	scf
470	BBr	Boron monobromide	bbr
471	GaF	Gallium monofluoride	gaf
472	GaCl	Gallium monochloride	gacl
473	AlI	Aluminum monoiodide	ali
474	GaBr	Gallium monobromide	gabr
475	CF^-	carbon monofluoride anion	cf-
476	CF⁺	carbon monofluoride cation	cf+
477	CCl	carbon monochloride	ccl
478	CCl^-	carbon monochloride anion	ccl-
479	CCl⁺	carbon monochloride cation	ccl+
480	SiF^-	silicon monofluoride anion	sif-
481	SiCl	Clorosilylidyne	sicl
482	SiCl^-	silicon monochloride anion	sicl-
483	SiCl⁺	silicon monochloride cation	sicl+
484	GeF	Germanium monofluoride	gef
485	GeCl	Germanium monochloride	gecl
486	NF	nitrogen fluoride	nf
487	NF^-	nitrogen monofluorine anion	nf-
488	NF⁺	nitrogen monofluoirde cation	nf+
489	NCl^-	nitrogen monochloride anion	ncl-
490	NCl⁺	nitrogen monochloride cation	ncl+
491	PF	phosphorus monofluoride	pf
492	PF^-	phosphorus monofluoride anion	pf-
493	PF⁺	phosphorus monofluoride cation	pf+
494	PCl	phosphorus chloride	pcl
495	PCl^-	phosphorus monochloride anion	pcl-
496	PCl⁺	phosphorus monochloride cation	pcl+
497	AsF	Arsenic monofluoride	asf
498	NBr	nitrogen monobromide	nbr
499	SbF	Antimony monofluoride	sbf
500	SbCl	Antimony monochloride	sbcl

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+

He^-

Helium atom anion

he-

HeH

Helium hydride

heh

Lithium atom

Li⁺

Lithium atom cation

li+

Sodium atom

Na^-

Sodium atom anion

na-

Na⁺

Sodium atom cation

na+

Potassium atom

K^-

Potassium atom anion

K⁺

Potassium atom cation

Copper atom

Cu^-

Copper atom anion

cu-

Cu⁺

Copper atom cation

cu+

LiH

Lithium Hydride

lih

LiH^-

lithium hydride anion

lih-

NaH

sodium hydride

nah

NaH^-

sodium hydride anion

nah-

NaH⁺

sodium hydride cation

nah+

KH⁺

Potassium hydrogen cation

kh+

CuH

Copper monohydride

cuh

Beryllium atom

Be^-

Beryllium atom anion

be-

Be⁺

Beryllium atom cation

be+

Magnesium atom

Mg^-

Magnesium atom anion

mg-

Mg⁺

Magnesium atom cation

mg+

Calcium atom

Ca^-

Calcium atom anion

ca-

Ca⁺

Calcium atom cation

ca+

Zinc atom

Zn^-

Zinc atom anion

zn-

Zn⁺

Zinc atom cation

zn+

BeH

beryllium monohydride

beh

BeH^-

berylium monohydride anion

beh-

BeH⁺

beryllium monohydride cation

beh+

MgH^-

magnesium monohydride anion

mgh-

MgH⁺

magnesium monohydride cation

mgh+

CaH

Calcium monohydride

cah

CaH⁺

Calcium monohydride cation

cah+

TiH

Titanium monohydride

tih

ZnH

Zinc monohydride

znh

BeH₂

beryllium dihydride

beh2

CaH₂

Calcium Hydride

cah2

ZnH₂

Zinc hydride

znh2

Boron atom

B^-

Boron atom anion

B⁺

Boron atom cation

Scandium atom

Sc⁺

Scandium cation

sc+

Gallium atom

Ga^-

Gallium atom anion

ga-

Ga⁺

Gallium atom cation

ga+

BH^-

boron monohydride anion

bh-

BH⁺

boron monohydride cation

bh+

AlH

aluminum monohydride

alh

AlH^-

aluminum monohydride anion

alh-

AlH⁺

aluminum monohydride cation

alh+

ScH

Scandium monohydride

sch

GaH

Gallium monohydride

gah

BH₂

boron dihydride

bh2

BH₂^-

boron dihydride anion

bh2-

BH₂⁺

Boron dihydride cation

bh2+

AlH₂

aluminum dihydride

alh2

AlH₂^-

aluminum dihydride anion

alh2-

AlH₂⁺

aluminum dihydride cation

alh2+

BH₃

boron trihydride

bh3

BH₃^-

boron trihydride anion

bh3-

AlH₃⁺

aluminum trihydride cation

alh3+

ScH₃

Scandium trihydride

sch3

GaH₃

Gallium trihydride

gah3

AlH₄^-

Aluminum tetrahydride anion

alh4-

C^-

Carbon atom anion

C⁺

Carbon atom cation

Silicon atom

Si⁺

Silicon atom cation

si+

Titanium atom

Ti^-

Titanium atom anion

ti-

Ti⁺

Titanium atom cation

ti+

Germanium atom

Ge^-

Germanium anion

ge-

Ge⁺

Germanium cation

ge+

Tin atom

Sn⁺

Tin cation

sn+

Methylidyne

CH^-

methylidyne anion

ch-

CH⁺

Methylidyne cation

ch+

SiH

Silylidyne

sih

SiH^-

silicon monohydride anion

sih-

CH₂

Methylene

ch2

CH₂⁺

methylene cation

ch2+

SiH₂

silicon dihydride

sih2

100

SiH₂^-

silicon dihydride anion

sih2-

101

SiH₂⁺

silicon dihydride cation

sih2+

102

GeH₂^-

germylene anion

geh2-

103

CH₃

Methyl radical

ch3

104

CH₃^-

methyl anion

ch3-

105

CH₃⁺

methyl cation

ch3+

106

SiH₃

Silyl radical

sih3

107

SiH₃^-

Silyl anion

sih3-

108

GeH₃

Germyl radical

geh3

109

GeH₃⁺

germyl cation

geh3+

110

CD₄

methane-d4

cd4

111

CH₂D₂

methane-d2

ch2d2

112

CH₃D

methane-d

ch3d

113

CH₄⁺

Methane cation

ch4+

114

CHD₃

methane-d3

chd3

115

SiH₄⁺

Silane cation

sih4+

116

SnH₄

Stannane

snh4

117

N^-

Nitrogen atom anion

118

N⁺

Nitrogen atom cation

119

P^-

Phosphorus atom anion

120

P⁺

Phosphorus atom cation

121

Vanadium atom

122

Antimony atom

123

Imidogen

124

NH^-

Imidogen anion

nh-

125

NH⁺

imidogen cation

nh+

126

PH^-

phosphorus monohydride anion

ph-

127

PH⁺

phosphorus monohydride cation

ph+

128

AsH

Arsenic monohydride

ash

129

AsH⁺

Arsenic monohydride cation

ash+

130

SbH

Antimony monohydride

sbh

131

ND₂

Amidogen-d2

nd2

132

NH₂^-

amino anion

nh2-

133

PH₂

Phosphino radical

ph2

134

PH₂^-

Phosphino anion

ph2-

135

PH₂⁺

Phosphino cation

ph2+

136

AsH₂

Arsenic dihydride

ash2

137

AsH₂⁺

Arsenic dihydride cation

ash2+

138

ND₃

Ammonia-d3

nd3

139

NH₃⁺

ammonia cation

nh3+

140

AsH₃

Arsine

ash3

141

AsH₃⁺

Arsine cation

ash3+

142

SbH₃

Stibine

sbh3

143

AsH₄⁺

Arsonium

ash4+

144

O^-

Oxygen atom anion

145

O⁺

Oxygen atom cation

146

Chromium atom

147

Te⁺

Tellurium atom cation

te+

148

Hydroxyl-d

149

Mercapto-d

150

Mercapto radical

151

TeH

Telluryl radical

teh

152

D₂O

Deuterium oxide

d2o

153

D₂S

Hydrogen sulfide-d2

d2s

154

H₂S^-

Hydrogen sulfide anion

h2s-

155

H₂Te

Hydrogen Telluride

h2te

156

Manganese atom

157

Iodine atom

iodine

158

I^-

Iodine atom anion

iodine-

159

I⁺

Iodine atom cation

iodine+

160

Hydrofluoric acid-d

161

Hydrogen fluoride

162

HF^-

hydrogen fluoride anion

hf-

163

HF⁺

hydrogen fluoride cation

hf+

164

DCl

Hydrochloric acid-d

dcl

165

HCl

Hydrogen chloride

hcl

166

HCl^-

hydrogen chloride anion

hcl-

167

Hydrogen iodide

168

HI⁺

Hydrogen iodide cation

hi+

169

H₂F⁺

dihydrogen fluoride cation

h2f+

170

H₂I⁺

Iodonium

h2i+

171

Ne^-

Neon atom anion

ne-

172

Ne⁺

Neon atom cation

ne+

173

Argon atom

174

Ar^-

Argon atom anion

ar-

175

Ar⁺

Argon atom cation

ar+

176

Iron atom

177

NeH

neon hydrogen

neh

178

NeH⁺

neon hydrogen cation

neh+

179

Cobalt atom

cobalt

180

Nickel atom

181

Li₂

Lithium diatomic

li2

182

Li₂^-

lithium diatomic anion

li2-

183

Li₂⁺

lithium diatomic cation

li2+

184

NaLi

lithium sodium

lina

185

NaLi^-

lithium sodium anion

lina-

186

NaLi⁺

lithium sodium cation

lina+

187

LiK

Lithium Potassium

lik

188

Na₂

Sodium diatomic

na2

189

NaK

Sodium Potassium

nak

190

K₂

Potassium diatomic

191

Cu₂

Copper diatomic

cu2

192

LiBe

Lithium Beryllium

libe

193

LiMg

Lithium magnesium

limg

194

NaBe

Sodium Beryllium

nabe

195

NaMg

Sodium Magnesium

namg

196

Be₂

Beryllium diatomic

be2

197

Be₂^-

Beryllium diatomic anion

be2-

198

Be₂⁺

Beryllium diatomic cation

be2+

199

Mg₂

Magnesium diatomic

mg2

200

Mg₂^-

magnesium diatomic anion

mg2-

201

Mg₂⁺

magnesium diatomic cation

mg2+

202

Ca₂

Calcium diatomic

ca2

203

LiB

Lithium boride

lib

204

BeB

Beryllium monoboride

beb

205

B₂

Boron diatomic

206

B₂^-

Boron diatomic anion

b2-

207

B₂⁺

Boron diatomic cation

b2+

208

Al₂

Aluminum diatomic

al2

209

Al₂^-

aluminum diatomic anion

al2-

210

Al₂⁺

aluminum diatomic cation

al2+

211

Ga₂

Gallium diatomic

ga2

212

LiBH₄

Lithium borohydride

libh4

213

Al₂H₆

dialane

al2h6

214

Ga₂H₆

digallane

ga2h6

215

LiC

Lithium Carbide

lic

216

BeC

Beryllium Carbide

bec

217

boron monocarbide

218

BC^-

boron monocarbide anion

bc-

219

BC⁺

boron monocarbide cation

bc+

220

AlC

Aluminum carbide

alc

221

C₂

Carbon diatomic

222

C₂^-

carbon diatomic anion

c2-

223

C₂⁺

carbon diatomic cation

c2+

224

SiC

silicon monocarbide

sic

225

SiC^-

silicon monocarbide anion

sic-

226

SiC⁺

silicon monocarbide cation

sic+

227

Si₂

Silicon diatomic

si2

228

Si₂^-

silcon diatomic anion

si2-

229

Si₂⁺

silcon diatomic cation

si2+

230

GeC

Germanium monocarbide

gec

231

Ge₂

Germanium diatomic

ge2

232

C₂H⁺

Ethynyl cation

c2h+

233

ZnCH₂

Zinc methylene

znch2

234

C₂H₂

Acetylene

c2h2

235

CCH₂

vinylidene

236

Si₂H₂

disilyne

si2h2

237

CuCH₃

monomethyl copper

cuch3

238

ZnCH₃

Zinc monomethyl

znch3

239

C₂H₄

Ethylene

c2h4

240

C₂H₄^-

Ethylene anion

c2h4-

241

CH₃CH

methylmethylene

ch3ch

242

CH₂SiH₂

silaethylene

ch2sih2

243

C₂H₅^-

Ethyl anion

c2h5-

244

C₂H₅⁺

Ethyl cation

c2h5+

245

C₂H₆⁺

ethane cation

c2h6+

246

CH₃SiH₃

methyl silane

ch3sih3

247

GeH₃CH₃

methyl germane

geh3ch3

248

C₂H₇⁺

Ethane, protonated

c2h7+

249

LiN

Lithium Nitride

lin

250

LiN⁺

Lithium Nitride cation

lin+

251

BeN

Beryllium mononitride

ben

252

BeN^-

Beryllium mononitride anion

ben-

253

BeN⁺

Beryllium mononitride cation

ben+

254

BN^-

boron nitride anion

bn-

255

AlN^-

aluminum mononitride anion

aln-

256

AlN⁺

aluminum mononitride cation

aln+

257

AlP

Aluminum monophosphide

alp

258

GaN

Gallium mononitride

gan

259

GaAs

Gallium arsenide

gaas

260

boron nitride

261

BN⁺

boron nitride cation

bn+

262

AlN

Aluminum nitride

aln

263

CN^-

cyanide anion

cn-

264

CN⁺

Cyano cation

cn+

265

Carbon monophosphide

266

CP^-

carbon monophosphide anion

cp-

267

CP⁺

carbon monophosphide cation

cp+

268

SiN

Silicon nitride

sin

269

SiN^-

silicon mononitride anion

sin-

270

SiN⁺

silicon mononitride cation

sin+

271

SiP^-

Silicon monophosphide anion

sip-

272

SiP⁺

Silicon monophosphide cation

sip+

273

TiN

Titanium mononitride

tin

274

N₂⁺

diatomic nitrogen cation

n2+

275

Phosphorus mononitride

276

PN^-

phosphorus nitride anion

pn-

277

PN⁺

phosphorus nitride cation

pn+

278

P₂

Phosphorus diatomic

279

P₂^-

phosphorus diatomic anion

p2-

280

P₂⁺

phosphorus diatomic cation

p2+

281

AsN

Arsenic mononitride

asn

282

AsP

Arsenic monophosphide

asp

283

SbN

Antimony nitride

sbn

284

As₂

Arsenic diatomic

as2

285

HNB

hydrogen nitrogen boron

hnb

286

HNC

hydrogen isocyanide

hnc

287

HCN^-

Hydrogen cyanide anion

hcn-

288

HCP

Phosphaethyne

hcp

289

HCP⁺

Phosphaethyne cation

hcp+

290

NNH

Dinitrogen monohydride

nnh

291

HPO

Hydrogen phosphorus oxide

hpo

292

HPO⁺

Hydrogen phosphorus oxide cation

hpo+

293

CNH₂

Aminomethylidyne radical

cnh2

294

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

295

H₂CN

Dihydrogen cyanide radical

h2cn

296

H₂CN⁺

hydrocyanonium cation

h2cn+

297

HCNH

methyleneazane

hcnh

298

HCNH⁺

N-protonated HCN

hcnh+

299

H₂NN

Isodiazene

h2nn

300

N₂H₂

(E)-diazene

n2h2

301

N₂H₂

(Z)-Diazene

n2h2z

302

CH₂PH

Phosphaethene

ch3p

303

N₂H₄⁺

hydrazine cation

n2h4+

304

P₂H₄

Diphosphine

p2h4

305

CH₃NH₂⁺

methyl amine cation

ch3nh2+

306

CH₃PH₂

Methyl phosphine

ch3ph2

307

CH₃NH₃⁺

protonated methylamine

ch3nh3+

308

NH₃NH₃

Ammonia Dimer

nh3nh3

309

LiO

lithium oxide

lio

310

LiO^-

lithium oxide anion

lio-

311

LiO⁺

lithium oxide cation

lio+

312

LiS

Lithium monosulfide

lis

313

LiS⁺

Lithium sulfide cation

lis+

314

NaO

sodium monoxide

nao

315

NaO^-

sodium oxide anion

nao-

316

NaO⁺

sodium oxide cation

nao+

317

Potassium monoxide

318

KO⁺

Potassium monoxide cation

ko+

319

NaS

Sodium sulfide

nas

320

CuO

Copper Monoxide

cuo

321

LiSe

Lithium monoselenide

lise

322

BeO

beryllium oxide

beo

323

BeO^-

Beryllium monoxide anion

beo-

324

BeO⁺

Beryllium monoxide cation

beo+

325

BeS

beryllium sulfide

bes

326

MgO

magnesium oxide

mgo

327

MgO^-

magnesium oxide anion

mgo-

328

MgO⁺

magnesium oxide cation

mgo+

329

MgS

magnesium sulfide

mgs

330

MgS^-

magnesium sulfide anion

mgs-

331

MgS⁺

magnesium sulfide cation

mgs+

332

ZnO

zinc monoxide

zno

333

ZnS

Zinc sulfide

zns

334

BeS^-

Beryllium monosulfide anion

bes-

335

BeS⁺

Beryllium monosulfide cation

bes+

336

BO^-

boron monoxide anion

bo-

337

AlO

Aluminum monoxide

alo

338

AlO^-

Aluminum monoxide anion

alo-

339

AlO⁺

aluminum monoxide cation

alo+

340

boron sulfide

341

BS^-

boron monosulfide anion

bs-

342

BS⁺

boron monosulfide cation

bs+

343

AlS

Aluminum sulfide

als

344

AlS^-

aluminum monosulfide anion

als-

345

AlS⁺

aluminum monosulfide cation

als+

346

ScO

Scandium monoxide

sco

347

GaO

Gallium monoxide

gao

348

GaS

Gallium monosulfide

gas

349

BO⁺

boron monoxide cation

bo+

350

carbon monosulfide

351

CS^-

carbon monosulfide anion

cs-

352

CS⁺

carbon monosulfide cation

cs+

353

SiO

Silicon monoxide

sio

354

SiO^-

silicon monoxide anion

sio-

355

SiO⁺

silicon monoxide cation

sio+

356

SiS

silicon monosulfide

sis

357

SiS^-

silicon monosulfide anion

sis-

358

SiS⁺

silicon monosulfide cation

sis+

359

TiO

Titanium monoxide

tio

360

CSe

Carbon monoselenide

cse

361

CSe^-

Carbon monoselenide anion

cse-

362

CSe⁺

Carbon monoselenide cation

cse+

363

GeSe

Germanium monoselenide

gese

364

NS^-

nitrogen sulfide anion

ns-

365

NS⁺

nitrogen sulfide cation

ns+

366

PO^-

phosphorus monoxide anion

po-

367

PO⁺

phosphorus monoxide cation

po+

368

PS^-

phosphorus monosulfide anion

ps-

369

PS⁺

phosphorus monosulfide cation

ps+

370

Vanadium monoxide

371

AsO

Arsenic monoxide

aso

372

O₂

Oxygen diatomic

373

O₂^--

dioxygen dianion

o2--

374

O₂⁺

diatomic oxygen cation

o2+

375

Sulfur monoxide

376

SO^-

sulfur monoxide anion

so-

377

S₂^-

sulfur diatomic anion

s2-

378

S₂⁺

sulfur diatomic cation

s2+

379

SeO^-

selenium monoxide anion

seo-

380

SeO⁺

selenium monoxide cation

seo+

381

SeS

Selenium monosulfide

ses

382

SeS^-

selenium monosulfide anion

ses-

383

SeS⁺

selenium monosulfide cation

ses+

384

TeO

Tellurium monoxide

teo

385

Se₂

Selenium diatomic

se2

386

Se₂^-

selenium diatomic anion

se2-

387

Se₂⁺

selenium diatomic cation

se2+

388

Te₂

Tellurium diatomic

te2

389

NaOH

sodium hydroxide

naoh

390

MgOH

magnesium hydroxide

mgoh

391

CaOH

Calcium monohydroxide

caoh

392

HBS

hydrogen boron sulfide

hbs

393

HCO

Formyl radical

hco

394

HCO⁺

Formyl cation

hco+

395

HCS

Thioformyl radical

hcs

396

HCS^-

Thioformyl anion

hcs-

397

HCS⁺

Thioformyl cation

hcs+

398

HNO

Nitrosyl hydride

hno

399

HNO^-

Nitrosyl hydride anion

hno-

400

HNS

Sulfur imide

hns

401

HNS^-

Sulfur imide anion

hns-

402

HO₂

Hydroperoxy radical

ho2

403

HO₂^-

Hydroperoxy anion

ho2-

404

HS₂

Thiosulfeno radical

hs2

405

HOCH

hydroxycarbene

hoch

406

H₂CSe

Selenoformaldehyde

h2cse

407

H₂O₂⁺

Hydrogen peroxide cation

h2o2+

408

H₂Se₂

hydrogen diselenide

h2se2

409

CH₂OH

Hydroxymethyl radical

ch2oh

410

CH₃O

Methoxy radical

ch3o

411

CH₃S

thiomethoxy

ch3s

412

NH₃O

Ammonia Oxide

nh3o

413

H₂POH

Phosphinous acid

h2poh

414

H₃PO

Phosphine oxide

h3po

415

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

416

CH₃OH^-

Methyl alcohol anion

ch3oh-

417

CH₃OH⁺

Methyl alcohol cation

ch3oh+

418

CH₃SeH

Methane selenol

ch3seh

419

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

420

H₂ONH₃

Water Ammonia Dimer

h2onh3

421

LiCl^-

lithium chloride anion

licl-

422

LiCl⁺

lithium chloride cation

licl+

423

NaF

sodium fluoride

naf

424

NaF^-

sodium fluoride anion

naf-

425

Potassium Fluoride

426

NaCl

Sodium Chloride

nacl

427

NaCl^-

sodium chloride anion

nacl-

428

NaCl⁺

sodium chloride cation

nacl+

429

KCl

Potassium Chloride

kcl

430

CuF

Copper monofluoride

cuf

431

LiBr^-

lithium bromide anion

libr-

432

LiBr⁺

lithium bromide cation

libr+

433

CuCl

Copper monochloride

cucl

434

NaBr

Sodium Bromide

nabr

435

NaBr^-

sodium bromide anion

nabr-

436

NaBr⁺

sodium bromide cation

nabr+

437

KBr

Potassium Bromide

kbr

438

Potassium Iodide

439

LiF^-

lithium fluoride anion

lif-

440

BeF

Beryllium monofluoride

bef

441

BeF^-

Beryllium monofluoride anion

bef-

442

BeF⁺

Beryllium monofluoride cation

bef+

443

BeCl

beryllium monochloride

becl

444

MgF

Magnesium monofluoride

mgf

445

MgF^-

magnesium fluoride anion

mgf-

446

MgF⁺

magnesium fluoride cation

mgf+

447

CaF

Calcium monofluoride

caf

448

MgCl

magnesium monochloride

mgcl

449

MgCl^-

magnesium monochloride anion

mgcl-

450

MgCl⁺

magnesium monochloride cation

mgcl+

451

CaCl

calcium monochloride

cacl

452

ZnF^-

Zinc monofluoride anion

znf-

453

ZnF⁺

Zinc monofluoride cation

znf+

454

ZnCl

Zinc monochloride

zncl

455

BeCl^-

beryllium monochloride anion

becl-

456

BeCl⁺

beryllium monochloride cation

becl+

457

Boron monofluoride

458

BF^-

Boron monofluoride anion

bf-

459

BF⁺

Boron monofluoride cation

bf+

460

AlF

Aluminum monofluoride

alf

461

AlF^-

Aluminum monofluoride anion

alf-

462

AlF⁺

Aluminum monofluoride cation

alf+

463

BCl

boron monochloride

bcl

464

BCl^-

boron monochloride anion

bcl-

465

BCl⁺

boron monochloride cation

bcl+

466

AlCl

Aluminum monochloride

alcl

467

AlCl^-

aluminum monochloride anion

alcl-

468

AlCl⁺

aluminum monochloride cation

alcl+

469

ScF

Scandium monofluoride

scf

470

BBr

Boron monobromide

bbr

471

GaF

Gallium monofluoride

gaf

472

GaCl

Gallium monochloride

gacl

473

AlI

Aluminum monoiodide

ali

474

GaBr

Gallium monobromide

gabr

475

CF^-

carbon monofluoride anion

cf-

476

CF⁺

carbon monofluoride cation

cf+

477

CCl

carbon monochloride

ccl

478

CCl^-

carbon monochloride anion

ccl-

479

CCl⁺

carbon monochloride cation

ccl+

480

SiF^-

silicon monofluoride anion

sif-

481

SiCl

Clorosilylidyne

sicl

482

SiCl^-

silicon monochloride anion

sicl-

483

SiCl⁺

silicon monochloride cation

sicl+

484

GeF

Germanium monofluoride

gef

485

GeCl

Germanium monochloride

gecl

486

nitrogen fluoride

487

NF^-

nitrogen monofluorine anion

nf-

488

NF⁺

nitrogen monofluoirde cation

nf+

489

NCl^-

nitrogen monochloride anion

ncl-

490

NCl⁺

nitrogen monochloride cation

ncl+

491

phosphorus monofluoride

492

PF^-

phosphorus monofluoride anion

pf-

493

PF⁺

phosphorus monofluoride cation

pf+

494

PCl

phosphorus chloride

pcl

495

PCl^-

phosphorus monochloride anion

pcl-

496

PCl⁺

phosphorus monochloride cation

pcl+

497

AsF

Arsenic monofluoride

asf

498

NBr

nitrogen monobromide

nbr

499

SbF

Antimony monofluoride

sbf

500

SbCl

Antimony monochloride

sbcl

501

FO^-

flourine oxide anion

fo-

502

FO⁺

fluorine monoxide cation

fo+

503

ClO

Monochlorine monoxide

clo

504

ClO^-

chlorine monoxide anion

clo-

505

ClO⁺

chlorine monoxide cation

clo+

506

Monosulfur monofluoride

507

SF^-

sulfur monofluoride anion

sf-

508

SF⁺

sulfur monofluoride cation

sf+

509

SCl^-

sulfur monochloride anion

scl-

510

SCl⁺

sulfur monochloride cation

scl+

511

BrO

Bromine monoxide

bro

512

BrO^-

Bromine monoxide anion

bro-

513

BrO⁺

Bromine monoxide cation

bro+

514

SeF

Selenium monofluoride

sef

515

SBr

Sulfur monobromide radical

sbr

516

SBr⁺

Sulfur monobromide cation

sbr+

517

Iodine monoxide

518

SeBr

Selenium monobromide

sebr

519

ClF^-

clorine monofluoride anion

clf-

520

Cl₂

Chlorine diatomic

cl2

521

Cl₂^-

chlorine diatomic anion

cl2-

522

BrF^-

bromine fluoride anion

brf-

523

BrF⁺

bromine fluoride cation

brf+

524

BrCl^-

bromine chloride anion

brcl-

525

BrCl⁺

bromine chloride cation

brcl+

526

Iodine monofluoride

527

ICl

Iodine monochloride

icl

528

IBr

Iodine monobromide

ibr

529

I₂

Iodine diatomic

530

I₂⁺

Iodine diatomic cation

i2+

531

HCCl

Chloromethylene

hccl

532

HSiF

fluorosilylene

hsif

533

HSiCl

Chlorosilylene

hsicl

534

HSiBr

monobromosilylene

hsibr

535

CHBr

bromomethylene

chbr

536

HOF

Hypofluorous acid

hfo

537

DOCl

Hypochlorous acid-d

docl

538

HOBr

Hypobromous acid

hobr

539

HOBr⁺

Hypobromous acid cation

hobr+

540

HOI

Hypoiodous acid

hoi

541

FHF

Hydrogen difluoride

fhf

542

FHF^-

Hydrogen difluoride anion

fhf-

543

NH₂F

monofluoroamine

nh2f

544

H₂F₂

Hydrogen fluoride dimer

h2f2

545

CD₃F

methylfluoride-d3

cd3f

546

CD₃Cl

methyl chloride d3

cd3cl

547

CH₃Cl⁺

Methyl chloride cation

ch3cl+

548

SiH₃F

monofluorosilane

sih3f

549

GeH₃F

monofluorogermane

geh3f

550

GeH₃Cl

monochlorogermane

geh3cl

551

CH₃I

methyl iodide

ch3i

552

SiH₃I

Silyl Iodide

sih3i

553

NH₃Cl⁺

protonated monochloroammonia

nh3cl+

554

Ne₂

Neon diatomic

ne2

555

Ne₂⁺

Neon diatomic cation

ne2+

556

Li₃

Lithium trimer

li3

557

Li₃⁺

Lithium trimer cation

li3+

558

C₃⁺

carbon trimer cation

c3+

559

SiC₂

Silicon dicarbide

sic2

560

C₃H₃

cyclopropenyl radical

cpr

561

C₃H₃

Propargyl radical

propargyl

562

C₃H₃^-

Propargyl anion

c3h3-

563

C₃H₃⁺

cyclopropenyl cation

cpr+

564

C₃H₃⁺

Propargyl cation

c3h3+

565

CH₂CCH₂

allene

566

C₃H₅

Allyl radical

allyl

567

C₃H₅⁺

Allyl cation

allyl+

568

CH₃CHCH

1-propenyl radical

ch3chch

569

Zn(CH₃)₂

dimethyl zinc

dmz

570

C₃H₆

Cyclopropane

c3h6

571

CH₃CHCH₃

Isopropyl radical

isopropyl

572

SiH₂(CH₃)₂

dimethylsilane

dms

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

CNN

Diazocarbene

cnn

579

NCN

Cyanoimidogen

ncn

580

N₃^-

azide anion

n3-

581

HCCN

cyanomethylene

hccn

582

HCNN

diazomethyl radical

hcnn

583

HN₃

hydrogen azide

hn3

584

CH₂N₂

diazirine

ch2n2

585

CH₂NN

diazomethane

ch2nn

586

NH₂CN

cyanamide

587

CH₃CN⁺

Acetonitrile cation

ch3cn+

588

CH₃NC

methyl isocyanide

ch3nc

589

CH₂CHNH

vinylazine

ch2chnh

590

CH₃CHN

methylmethaniminyl radical

ch3chn

591

NHCHNH₂

aminomethanimine

cn2h4

592

C₂H₅N

Aziridine

c2h5n

593

CH₂CHNH₂

aminoethene

594

CH₂NCH₃

N-methylmethanimine

nmm

595

CH₃CHNH

ethanimine

596

NH₂BHNH₂

diaminoborane

nh2bhnh2

597

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

598

CH₃NHCH₃

Dimethylamine

ch3nhch3

599

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

600

Li₂O⁺

dilithium oxide cation

li2o+

601

Li₂S

dilithium sulfide

li2s

602

LiO₂

Lithium dioxide

lio2

603

CCO

Dicarbon monoxide

cco

604

CNO^-

fulminate

cno-

605

NCO^-

cyanate

nco-

606

SCN

thiocyanato radical

scn

607

SCN^-

thiocyanide anion

scn-

608

BO₂

Boron dioxide

bo2

609

BO₂^-

Boron dioxide anion

bo2-

610

BO₂⁺

Boron dioxide cation

bo2+

611

N₂O⁺

Nitrous oxide cation

n2o+

612

NNS

Nitrogen sulfide

nns

613

PPO

Phosphorus oxide phosphide

ppo

614

CO₂

Carbon dioxide

co2

615

CO₂^-

Carbon dioxide anion

co2-

616

CO₂⁺

Carbon dioxide cation

co2+

617

OCS⁺

Carbonyl sulfide cation

cos+

618

SiO₂

silicon dioxide

sio2

619

CS₂^-

Carbon disulfide anion

cs2-

620

CS₂⁺

Carbon disulfide cation

cs2+

621

TiO₂

Titanium dioxide

tio2

622

SiS₂

Silicon disulfide

sis2

623

GeO₂

Germanium dioxide

geo2

624

GeS₂

Germanium disulfide

ges2

625

CSe₂

Carbon diselenide

cse2

626

SCTe

Carbon sulfide Telluride

scte

627

NO₂^-

Nitrogen dioxide anion

no2-

628

PO₂

Phosphorus dioxide

po2

629

PO₂^-

Phosphorus dioxide anion

po2-

630

PO₂⁺

Phosphorus dioxide cation

po2+

631

AsO₂

Aresenic dioxide

aso2

632

O₃^-

Ozone anion

o3-

633

O₃⁺

Ozone cation

o3+

634

SO₂

Sulfur dioxide

so2

635

SO₂^-

Sulfur dioxide anion

so2-

636

SO₂⁺

Sulfur dioxide cation

so2+

637

SSO

Disulfur monoxide

sso

638

S₃^-

Sulfur trimer anion

s3-

639

S₃⁺

Sulfur trimer cation

s3+

640

TeO₂

Tellurium Dioxide

teo2

641

CS₂H⁺

Carbon disulfide, protonated

cs2h+

642

HCNO

fulminic acid

hcno

643

HNCO

Isocyanic acid

hnco

644

HOCN

cyanic acid

hocn

645

HCO₂^-

formate anion

hco2-

646

HNNO

nitrosoazane

hnno

647

HCOO

formate neutral radical

hcoo

648

HOCO⁺

Hydrocarboxyl cation

hoco+

649

HNO₂

Nitrous acid

hno2

650

HNO₂⁺

nitrous acid cation

hno2+

651

CH₂CO⁺

Ketene cation

ch2co+

652

HCCOH

ethynol

hccoh

653

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

654

NH₂NO

Nitrosamide

nh2no

655

CH₂O₂

Dioxirane

diox

656

H₂O₃

Hydrogen trioxide

h2o3

657

HSSSH

trisulfane

hsssh

658

NaOCH₃

Sodium methoxide

naoch3

659

CH₂CHO

Vinyloxy radical

ch2cho

660

CH₃CO

Acetyl radical

ch3co

661

CH₃CO^-

Acetyl anion

ch3co-

662

CH₃CO⁺

acetyl cation

ch3co+

663

CHONH₂

formamide

664

CH₂OOH

CH2OOH radical

ch2ooh

665

CH₃OO

methylperoxy radical

ch3oo

666

CH₃OO^-

methylperoxy anion

ch3oo-

667

CH₃OO⁺

methylperoxy cation

ch3oo+

668

CH₂CHOH

ethenol

ch2choh

669

H₂CONH₂⁺

protonated formamide

h2conh2+

670

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

671

CH₂(OH)₂

methanediol

ch2o2h2

672

CH₃OOH

Methyl peroxide

ch3ooh

673

H₂OH₂CO

water formaldehyde dimer

h2oh2co

674

CH₂CH₂OH

2-hydroxy ethyl radical

ch2ch2oh

675

CH₃CH₂O

Ethoxy radical

ethoxy

676

CH₃OCH₂

methoxymethyl radical

ch3och2

677

CH₃CH₂OH

Ethanol

etoh

678

CH₃OCH₃

Dimethyl ether

meome

679

CH₃OHH₂O

methanol water dimer

ch3ohh2o

680

H₂OCH₃OH

water methanol dimer

h2och3oh

681

CuF₂

Copper difluoride

cuf2

682

ZnF₂

Zinc difluoride

znf2

683

FCN

Cyanogen fluoride

fcn

684

ClCN

chlorocyanogen

clcn

685

FBO

Boron monofluoride monoxide

fbo

686

BeF₂

Beryllium fluoride

bef2

687

MgF₂

Magnesium fluoride

mgf2

688

BeCl₂

Beryllium chloride

becl2

689

MgCl₂

Magnesium dichloride

mgcl2

690

CaCl₂

Calcium Chloride

cacl2

691

ZnCl₂

Zinc dichloride

zncl2

692

BeBr₂

Beryllium bromide

bebr2

693

CaF₂

Calcium difluoride

caf2

694

FCO

Carbonyl fluoride

fco

695

FCO⁺

Carbonyl fluoride cation

fco+

696

ClCO

carbonyl monochloride

clco

697

FNO

Nitrosyl fluoride

fno

698

ClNO

Nitrosyl chloride

clno

699

BrNO

Nitrosyl bromide

brno

700

CF₂^-

Difluoromethylene anion

cf2-

701

CF₂⁺

Difluoromethylene cation

cf2+

702

SiF₂

Silicon difluoride

sif2

703

CCl₂

dichloromethylene

ccl2

704

CCl₂^-

dichloromethylene anion

ccl2-

705

CCl₂⁺

dichloromethylene cation

ccl2+

706

SiCl₂

Dichlorosilylene

sicl2

707

GeF₂

Germanium difluoride

gef2

708

GeCl₂

Germanium dichloride

gecl2

709

FOO

Dioxygen monofluoride radical

foo

710

FOO⁺

Fluorine dioxide cation

foo+

711

ClOO

chloroperoxy radical

cloo

712

ClOO⁺

chloroperoxy cation

cloo+

713

OClO

Chlorine dioxide

oclo

714

OClO⁺

Chlorine dioxide cation

oclo+

715

ClS₂

Sulfur chloride

cls2

716

NF₂

Difluoroamino radical

nf2

717

NF₂⁺

Difluoroamino cation

nf2+

718

PF₂⁺

Phosphorus difluoride cation

pf2+

719

F₂O

Difluorine monoxide

f2o

720

SF₂^-

sulfur difluoride anion

sf2-

721

SF₂⁺

sulfur difluoride cation

sf2+

722

Cl₂O

Dichlorine monoxide

cl2o

723

SCl₂

Sulfur dichloride

scl2

724

SeF₂

Selenium difluoride

sef2

725

BrOCl

Bromine hypochlorite

brocl

726

SeCl₂

Selenium Dichloride

secl2

727

SBr₂

Sulfur dibromide

sbr2

728

SeBr₂

Selenium dibromide

sebr2

729

BrOBr

Bromine oxide

brobr

730

F₃^-

trifluoride anion

f3-

731

Cl₃^-

trichloride anion

cl3-

732

Br₃^-

tribromide anion

br3-

733

I₃^-

triiodide

i3-

734

HCCF

Fluoroacetylene

hccf

735

HCCF⁺

fluoroacetylene cation

hccf+

736

HCCCl

Chloroacetylene

hcccl

737

HFCO

formyl fluoride

hfco

738

HFCO⁺

formyl fluoride cation

hfco+

739

COHCl

Formyl chloride

cohcl

740

COHBr

Formyl bromide

cohbr

741

BHF₂

Difluoroborane

bhf2

742

BHCl₂

Borane, dichloro-

bhcl2

743

CHF₂

difluoromethyl radical

chf2

744

HOClO

Chlorous acid

hoclo

745

CH₂F₂

Methane, difluoro-

ch2f2

746

CH₂FCl

fluorochloromethane

ch2fcl

747

CH₂Br₂

dibromomethane

ch2br2

748

CH₂ClI

chloroiodomethane

ch2cli

749

CH₂BrI

bromoiodomethane

ch2bri

750

CH₃MgBr

Methyl Magnesium Bromide

ch3mgbr

751

CH₂CHF

Ethene, fluoro-

ch2chf

752

CH₂CHF⁺

fluoroethene cation

ch2chf+

753

C₂H₃Cl

Ethene, chloro-

ch2chcl

754

C₂H₃Br

vinyl bromide

c2h3br

755

CH₃OCl

methyl hypochlorite

ch3ocl

756

C₂H₅F

fluoroethane

c2h5f

757

CH₃CH₂Cl

Ethyl chloride

c2h5cl

758

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

759

C₂H₅Br

Ethyl bromide

etbr

760

C₂H₅I

Ethyl iodide

c2h5i

761

KrF₂

Krypton difluoride

krf2

762

B₄H₁₀

Tetraborane(10)

b4h10

763

C₄⁺

Carbon tetramer cation

c4+

764

C₄H₂

Diacetylene

c4h2

765

C₂H₃CCH

1-Buten-3-yne

c2h3cch

766

C₄H₄

cyclobutadiene

cbd

767

H₂CCCCH₂

Butatriene

h2cccch2

768

C₄H₆

1-Methylcyclopropene

c3100047

769

C₄H₆

Cyclobutene

c822355

770

C₄H₆

Methylenecyclopropane

c6142730

771

CH₂CCHCH₃

1,2-Butadiene

butad12

772

CH₂CHCHCH₂

1,3-Butadiene

c106990

773

CH₃CCCH₃

2-Butyne

c503173

774

CHCCH₂CH₃

1-Butyne

c107006

775

CH₃CHCHCH₂

methylallyl radical

c4h7

776

C₄H₈

methylcyclopropane

mcp

777

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

778

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

779

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

780

B(CH₃)₃

trimethylborane

bme3

781

Al(CH₃)₃

trimethyl aluminum

tma

782

C(CH₃)₃

Tert-butyl radical

tbutyl

783

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

784

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

785

CH₃CH(CH₃)CH₃

Isobutane

isobutane

786

SiH(CH₃)₃

trimethylsilane

trimsi

787

Li₃N

trilithium nitride

li3n

788

C₂N₂⁺

Cyanogen cation

c2n2+

789

P₄

Phosphorus tetramer

790

HCCCN

Cyanoacetylene

hcccn

791

C₃H₃N

acrylonitrile

ch2chcn

792

C₃H₃N⁺

acrylonitrile cation

ch2chcn+

793

C₂H₅CN

ethyl cyanide

c2h5cn

794

CH₅N₃

Guanidine

guanidine

795

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

796

CH₆N₃⁺

guanidinium

ch6n3+

797

C₃H₇N

Cyclopropylamine

cpram

798

C₃H₇N

Azetidine

azet

799

C₂H₈N₂

Ethylenediamine

ethdiam

800

CH₃NHNHCH₃

dimethyl hydrazine

dmh

801

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

802

N(CH₃)₃

Trimethylamine

trimeam

803

P(CH₃)₃

trimethylphosphine

tmp

804

As(CH₃)₃

trimethyl arsine

tmas

805

Li₂O₂

dilithium dioxide

li2o2

806

Na₂O₂

disodium dioxide

na2o2

807

K₂O₂

dipotassium dioxide

k2o2

808

B₂O₂

Diboron dioxide

b2o2

809

CO₃

Carbon trioxide

co3

810

CO₃^--

carbonate

co3--

811

NO₃

Nitrogen trioxide

no3

812

NO₃⁺

nitrogen trioxide cation

no3+

813

SO₃^-

Sulfur trioxide anion

so3-

814

SO₃^--

Sulfate dianion

so3--

815

SO₃⁺

Sulfur trioxide cation

so3+

816

SeO₃

selenium trioxide

seo3

817

TeO₃

Tellurium trioxide

teo3

818

HCO₃^-

bicarbonate anion

hco3-

819

HNO₃

Nitric acid

hno3

820

HSO₃

Hydroxysulfonyl radical

hso3

821

C₂H₂CO

cyclopropenone

c2h2co

822

HCCCHO

2-propynal

hcccho

823

C₂H₂O₂

Ethanedial

c2h2o2

824

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

825

H₂CO₃

Carbonic acid

h2co3

826

H₂CS₃

thiocarbonic acid

h2cs3

827

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

828

H₂SO₃

Sulfurous acid

h2so3

829

C₂H₃NO

Nitrosoethylene

c2h3no

830

CH₃COO^-

acetate anion

ch3coo-

831

CH₃ONO

Methyl nitrite

ch3ono

832

NH₂COOH

Carbamic acid

nh2cooh

833

H₃BO₃

Boric acid

h3bo3

834

H₃CO₃⁺

carbonic acid, protonated

h3co3+

835

C₃H₄O

2-Propyn-1-ol

c107197

836

C₃H₄O

allenol

c9000071

837

C₃H₄O

Cyclopropanone

cpone

838

C₃H₄O

Methylketene

c6004440

839

CH₂CHCHO

Acrolein

c3h4o

840

NH₂CONH₂⁺

Urea cation

urea+

841

NH₂CSNH₂

Thiourea

thiourea

842

C₂H₄O₂

1,3-dioxetane

c2h4o2

843

CH₃COOH

Acetic acid

ch3cooh

844

CH₃OCHO

methyl formate

ch3ocho

845

CHOCH₂OH

hydroxy acetaldehyde

haa

846

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

847

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

848

HCOOHH₂O

Formic acid water dimer

hcoohh2o

849

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

850

CH₃COCH₂

Acetonyl radical

ch3coch2

851

CH₃CONH₂

Acetamide

acetamide

852

C₂H₅OO

ethylperoxy radical

c2h5oo

853

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

854

C₃H₆O

2-Propen-1-ol

c107186

855

C₃H₆O

Oxetane

oxetane

856

C₃H₆O

Propylene oxide

prox

857

CH₃COCH₃

Acetone

acetone

858

CH₃COCH₃^-

acetone anion

ch3coch3-

859

C₃H₆S

Thietane

thietane

860

C₃H₆S

Thiirane, methyl-

methiirane

861

CH₃CSCH₃

Thioacetone

ch3csch3

862

C₂H₆O₂

1,2-Ethanediol

ethdiol

863

CH₃OOCH₃

dimethylperoxide

dmp

864

CH₃SOCH₃

Dimethyl sulfoxide

dmso

865

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

866

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

867

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

868

HOCH₂CH₂NH₂

monoethanolamine

mea

869

C₃H₇OH

1-Propanol

proh

870

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

871

CH₃OC₂H₅

Ethane, methoxy-

etome

872

C₃H₇SH

1-Propanethiol

prsh

873

CH₃CHSHCH₃

2-Propanethiol

isoprsh

874

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

875

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

876

Na₂F₂

Sodium Fluoride Dimer

na2f2

877

Na₂Cl₂

Disodium dichloride

na2cl2

878

C₂F₂

difluoroacetylene

c2f2

879

C₂Cl₂

dichloroacetylene

c2cl2

880

C₂Cl₂⁺

dichloroacetylene cation

c2cl2+

881

ClNO₂

Nitryl chloride

clno2

882

BrONO

Bromine nitrite

brono

883

N₂F₂

(Z)-Difluorodiazene

n2f2_z

884

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

885

CF₂O

Carbonic difluoride

f2co

886

COFCl

Carbonic chloride fluoride

cofcl

887

CCl₂O

Phosgene

cl2co

888

Cl₂CS

Thiophosgene

cl2cs

889

COBr₂

Carbonic dibromide

cobr2

890

BF₃

Borane, trifluoro-

bf3

891

BF₃^-

Borane, trifluoro- anion

bf3-

892

AlF₃

Aluminum trifluoride

alf3

893

BClF₂

Chlorodifluoroborane

bclf2

894

AlF₂Cl

Aluminum chloride difluoride

alclf2

895

ScF₃

Scandium trifluoride

ScF3

896

AlFCl₂

Aluminum dichloride fluoride

alcl2f

897

BCl₃⁺

Boron Trichloride cation

bcl3+

898

GaF₃

Gallium trifluoride

gaf3

899

AlCl₃

Aluminum trichloride

alcl3

900

GaCl₃

Gallium trichloride

gacl3

901

BBr₃

Boron tribromide

bbr3

902

AlBr₃

Aluminum Bromide

albr3

903

ClO₃

Chlorine trioxide

clo3

904

ClO₃^-

chlorate anion

clo3-

905

BrO₃^-

Bromate anion

bro3-

906

CF₃

Trifluoromethyl radical

cf3

907

CF₃^-

Trifluoromethyl anion

cf3-

908

CF₃⁺

Trifluoromethyl cation

cf3+

909

CCl₃

Trichloromethyl radical

ccl3

910

CCl₃^-

Trichloromethyl anion

ccl3-

911

CCl₃⁺

Trichloromethyl cation

ccl3+

912

SiCl₃

trichlorosilyl radical

sicl3

913

SiCl₃⁺

trichlorosilyl cation

sicl3+

914

FOOF

Perfluoroperoxide

foof

915

F₂SO

Thionyl Fluoride

f2so

916

FSSF

Difluorodisulfane

fssf

917

S₂F₂

Thio-thionyl fluoride

s2f2

918

SOCl₂

thionyl chloride

socl2

919

SeOCl₂

selenium oxychloride

seocl2

920

NF₃

Nitrogen trifluoride

nf3

921

NF₃^-

Nitrogen trifluoride anion

nf3-

922

NF₃⁺

Nitrogen trifluoride cation

nf3+

923

PF₃

Phosphorus trifluoride

pf3

924

AsF₃

Arsenic trifluoride

asf3

925

PCl₃

Phosphorus trichloride

pcl3

926

SbF₃

Antimony Trifluoride

sbf3

927

SbCl₃

Antimony Trichloride

sbcl3

928

PBr₃

Phosphorus tribromide

pbr3

929

AsBr₃

Arsenic tribromide

asbr3

930

PI₃

Phosphorus triiodide

pi3

931

ClSSCl

Disulfur dichloride

s2cl2

932

SF₃

Sulfur trifluoride

sf3

933

BrF₃

Bromine trifluoride

brf3

934

IF₃

iodone trifluoride

if3

935

CHF₃

Methane, trifluoro-

chf3

936

CHF₂Cl

difluorochloromethane

chf2cl

937

CHFCl₂

fluorodichloromethane

chfcl2

938

CDCl₃

trichloromethane-d

cdcl3

939

CHCl₃

Chloroform

chcl3

940

CHBrF₂

Methane, bromodifluoro-

chbrf2

941

SiHCl₃

Trichlorosilane

sihcl3

942

CHF₂I

difluoroiodomethane

chf2i

943

CHFClI

fluorochloroiodomethane

chfcli

944

CHCl₂I

dichloroiodomethane

chcl2i

945

CHClBr₂

Methane, dibromochloro-

chclbr2

946

CHBr₃

bromoform

chbr3

947

CHI₃

Iodoform

chi3

948

C₂H₂F₂

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

c2h2f2e

949

C₂H₂F₂

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

c2h2f2z

950

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

951

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

952

CHClCHCl

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

chclchcle

953

CHClCHCl

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

chclchclz

954

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

955

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

956

CH₃COF

Acetyl fluoride

ch3cof

957

CH₂ClCHO

chloroacetaldehyde

ch2clcho

958

CH₃COCl

Acetyl Chloride

ch3cocl

959

CH₃CHF₂

Ethane, 1,1-difluoro-

ch3chf2

960

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

961

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

962

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

963

CH₂BrCH₂Cl

1-bromo-2-chloroethane

ch2brch2cl

964

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

ch2brch2br

965

CH₂CFCH₃

2-fluoropropene

2fpro

966

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

967

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

968

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

969

CH₂FCH₂OH

2-fluoroethanol

ch2fch2oh

970

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

971

CH₃CHClCH₃

Propane, 2-chloro-

prcl2

972

CH₃CH₂CH₂Br

n-propyl bromide

prbr

973

CH₃CHBrCH₃

i-propyl bromide

iprbr

974

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

975

C₅H₅

cyclopentadienyl radical

c5h5

976

C₅H₅^-

cylopentadienyl anion

c5h5-

977

C₅H₆

1,3-Cyclopentadiene

c542927

978

C₅H₆

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

c78808

979

C₅H₆

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

c2004695

980

C₅H₆

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

c1574409

981

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

982

C₅H₆

Cyclopropylacetylene

c6746947

983

C₅H₇

1,3-pentadienyl radical

pdyl

984

C₅H₇

cyclopentenyl radical

cpyl

985

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

986

C₅H₈

1,2-Pentadiene

c591957

987

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

988

C₅H₈

1,3-Pentadiene, (E)-

c2004708

989

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

990

C₅H₈

1,4-Pentadiene

c591935

991

C₅H₈

1-pentyne

a1pentyne

992

C₅H₈

2,3-Pentadiene

c591968

993

C₅H₈

Cyclobutane, methylene-

c1120565

994

C₅H₈

Cyclopentene

c142290

995

C₅H₈

Ethenylcyclopropane

c693867

996

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

997

C₅H₁₀

1-Butene, 2-methyl-

c563462

998

C₅H₁₀

2-Butene, 2-methyl-

c513359

999

C₅H₁₀

2-Pentene, (E)-

c646048

1000

C₅H₁₀

2-Pentene, (Z)-

c627203

1001

C₅H₁₀

Cyclopentane

c287923

1002

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

1003

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

1004

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

1005

C₅H₁₂

Butane, 2-methyl-

buta2

1006

C₅H₁₂

Pentane

pentane

1007

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

1008

Si(CH₃)₄

tetramethylsilane

tms

1009

N₂O₃

Dinitrogen trioxide

n2o3

1010

C₃H₂N₂

Malononitrile

c3h2n2

1011

CH₂N₄

1H-Tetrazole

1htz

1012

C₃H₃N₂

imidazolyl radical

1013

C₃H₃N₂^-

imidizolyl anion

im-

1014

C₂H₃N₃

1H-1,2,4-Triazole

c288880

1015

C₄H₄N

pyrrolide radical

c4h4n

1016

C₄H₄N^-

pyrrolide anion

c4h4n-

1017

C₃H₄N₂

1H-Pyrazole

1hpyraz

1018

C₄H₅N

(E)-2-Butenenitrile

c627269

1019

C₄H₅N

(Z)-2-Butenenitrile

c1190767

1020

C₄H₅N

2H-pyrrole

pyrrole2

1021

C₄H₅N

3H-pyrrole

pyrrole3

1022

C₄H₅N

Cyclopropanecarbonitrile

c5500210

1023

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

1024

C₃H₆N₂

3-Aminopropionitrile

c151188

1025

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

1026

CH₃CH₂CH₂CN

Butanenitrile

c109740

1027

C₅H₈

Bicyclo[2.1.0]pentane

c185944

1028

C₅H₈

Spiropentane

c157404

1029

C₄H₉N

Cyclobutylamine

cbam

1030

C₄H₉N

Pyrrolidine

pyrrolidine

1031

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

1032

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

1033

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1034

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1035

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1036

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1037

C₃O₂⁺

Carbon suboxide cation

c3o2+

1038

B₂O₃

diboron trioxide

b2o3

1039

CaCO₃

Calcium Carbonate

caco3

1040

ONONO

Nitrosyl nitrite

onono

1041

PO₄^---

phosphate

po4---

1042

SO₄^--

sulfate

so4--

1043

HOONO₂

peroxy nitric acid

hoono2

1044

HSO₄^-

bisulfate anion

hso4-

1045

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1046

C₃H₂O₂

Propiolic acid

c3h2o2

1047

CHOCOOH

oxo acetic acid

oaa

1048

H₂SO₄

Sulfuric acid

h2so4

1049

H₂SeO₄

Selenic acid

h2seo4

1050

C₃H₃NO

Isoxazole

isox

1051

C₃H₃NO

Oxazole

oxazole

1052

C₃H₃NS

Thiazole

thiazole

1053

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1054

CH₃NO₃

Methyl nitrate

ch3no3

1055

H₃PO₄

Phosphoric Acid

h3po4

1056

C₄H₄O

Furan

furan

1057

C₄H₄O⁺

Furan cation

furan+

1058

C₄H₄S

Thiophene

furans

1059

C₃H₄O₂

β–Propiolactone

beta

1060

C₃H₄O₂

2-Propenoic acid

propenoic2

1061

C₃H₄O₂

Methyl glyoxal

megly

1062

C₃H₄O₂

propanedial

1063

C₃H₄O₂

propenalol

1064

HOCHCCHOH

allenediol

aldiol

1065

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1066

C₂H₄O₃

trioxolane124

triox

1067

HOCH₂COOH

Hydroxyacetic acid

hac

1068

CH₂CHCONH₂

Acrylamide

c79061

1069

CH₅N₃S

Hydrazinecarbothioamide

c79196

1070

H₂NCH₂COOH

Glycine

glycine

1071

C₄H₆O

cis-2-butenal

butenal2c

1072

C₄H₆O

Cyclobutanone

cbutone

1073

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1074

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1075

CH₂CHOCHCH₂

Vinyl ether

vinylether

1076

CHOCHCHCH₃

2-Butenal

butenal2

1077

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1078

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1079

C₂H₆N₂O

Urea, methyl-

c598505

1080

C₃H₆O₂

1,3-Dioxolane

dioxolane

1081

CH₃CH₂COOH

Propanoic Acid

propanoic

1082

CH₃COOCH₃

methyl acetate

aame

1083

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1084

C₃H₇NO

dimethylformamide

dmf

1085

C₃H₇NO

Propanamide

propanam

1086

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1087

C₄H₈O

Cyclobutanol

c2919235

1088

C₄H₈O

Furan, tetrahydro-

thf

1089

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1090

CH₃COCH₂CH₃

2-Butanone

buta2one

1091

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1092

CHOCH₂CH₂CH₃

Butanal

butanal

1093

C₃H₈O₂

1,3-Propanediol

c504632

1094

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1095

C₃H₈O₂

Methane, dimethoxy-

c109875

1096

C₃H₈O₂

Propylene glycol

c57556

1097

C₃H₈S₂

1,3-Propanedithiol

c109808

1098

C₄H₁₀O

1-Butanol

butanol1

1099

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1100

C₄H₁₀O

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

butanol2

1101

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1102

C₄H₁₀O

Ethoxy ethane

etoet

1103

C₄H₁₀O

Propane, 2-methoxy-

c598538

1104

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1105

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

tbush

1106

C₂H₅SC₂H₅

Diethyl sulfide

etset

1107

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1108

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1109

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1110

FNO₃

Fluorine nitrate

fno3

1111

ClONO₂

Chlorine nitrate

clono2

1112

BrONO₂

Bromine nitrate

brono2

1113

TiCl₄

Titanium tetrachloride

ticl4

1114

ClO₄^-

perchlorate anion

clo4-

1115

BF₄^-

tetrafluoroboron anion

bf4-

1116

ClFO₃

Perchloryl fluoride

clfo3

1117

SO₂F₂

Sulfuryl fluoride

so2f2

1118

SO₂Cl₂

Sulfuryl chloride

so2cl2

1119

F₃NO

Nitrogen trifluoride oxide

f3no

1120

F₃PO

Phosphoryl fluoride

pf3o

1121

Cl₃PO

Phosphoryl chloride

pcl3o

1122

CF₄

Carbon tetrafluoride

cf4

1123

CF₃Cl

Methane, chlorotrifluoro-

cf3cl

1124

SiF₄

Silicon tetrafluoride

sif4

1125

CF₂Cl₂

difluorodichloromethane

cf2cl2

1126

TiF₄

Titanium tetrafluoride

tif4

1127

CFCl₃

Trichloromonofluoromethane

cfcl3

1128

GeF₄

Germanium tetrafluoride

gef4

1129

CCl₄

Carbon tetrachloride

ccl4

1130

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1131

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

1132

SiCl₄

Silane, tetrachloro-

sicl4

1133

CF₃I

trifluoroiodomethane

cf3i

1134

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1135

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1136

GeCl₄

Germanium Tetrachloride

gecl4

1137

CCl₃I

trichloroiodomethane

ccl3i

1138

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1139

CF₂I₂

difluorodiiodomethane

cf2i2

1140

CBr₄

Carbon tetrabromide

cbr4

1141

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1142

CBr₃I

tribromoiododmethane

cbr3i

1143

GeBr₄

Germanium tetrabromide

gebr4

1144

SiI₄

silicon tetraiodide

sii4

1145

SCl₄

Sulfur tetrachloride

scl4

1146

C₂HF₃

Trifluoroethylene

c2hf3

1147

C₂HF₃⁺

Trifluoroethylene cation

c2hf3+

1148

CHClCCl₂

Trichloroethylene

chclccl2

1149

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1150

HClO₄

perchloric acid

hclo4

1151

HSO₃F

Fluorosulfonic acid

hso3f

1152

CF₃OH

trifluoromethanol

cf3oh

1153

CHClCCHCl

1,3-dichloroallene

chclcchcl

1154

CHCl₂CHO

dichloroacetaldehyde

chcl2cho

1155

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1156

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

1157

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1158

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1159

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1160

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1161

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1162

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1163

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1164

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

c4h5cl

1165

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1166

CH₂FCH₂CH₂F

1,3-difluoropropane

ch2fch2ch2f

1167

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1168

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1169

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1170

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1171

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1172

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1173

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1174

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1175

CH₃CClCHCH₃

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

bute2cl2e

1176

CH₃CClCHCH₃

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

bute2cl2z

1177

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1178

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1179

C₄H₉F

1-fluorobutane

butaf1

1180

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1181

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1182

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1183

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1184

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1185

C₆H₂

hexatriyne

c6h2

1186

C₆H₄

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

c6h4e

1187

C₆H₄

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

c6h4z

1188

C₆H₄

Benzyne

benzyne

1189

C₆H₅

phenyl

1190

C₆H₅^-

phenyl anion

phenyl-

1191

C₆H₆

2,4-Hexadiyne

hexadiyne

1192

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1193

C₆H₆

Benzene

benzene

1194

C₆H₆

Trimethylenecycopropane

tmcp

1195

C₆H₆⁺

Benzene cation

c6h6+

1196

C₆H₈

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

c821078

1197

C₆H₈

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

c59660650

1198

C₆H₈

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

hexatri135

1199

C₆H₈

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

hetr234c

1200

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1201

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1202

C₆H₈

3-Methylenecyclopentene

c930267

1203

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1204

C₆H₈

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

c30830207

1205

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1206

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1207

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1208

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1209

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1210

C₆H₁₀

1,5-Hexadiene

c592427

1211

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1212

C₆H₁₀

1-Hexyne

hexyne1

1213

C₆H₁₀

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

hexdi24ee

1214

C₆H₁₀

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

hexdi24ez

1215

C₆H₁₀

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

hexdi24zz

1216

C₆H₁₀

2-Hexyne

c764352

1217

C₆H₁₀

cyclohexene

1218

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1219

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1220

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1221

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1222

C₆H₁₂

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

dmcb12t

1223

C₆H₁₂

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

dmcb13t

1224

C₆H₁₂

(E)-2-Hexene

e2hexene

1225

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1226

C₆H₁₂

(E)-hex-3-ene

e3hexene

1227

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1228

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1229

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1230

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1231

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1232

C₆H₁₂

3-methylenepentane

c760214

1233

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1234

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1235

C₆H₁₂

Cyclohexane

cyclohexane

1236

C₆H₁₂

Cyclopentane, methyl-

c96377

1237

C₆H₁₂

Ethylcyclobutane

c4806615

1238

C₆H₁₂

hex-1-ene

hexene1

1239

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1240

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1241

C₆H₁₄

Hexane

hexane

1242

C₆H₁₄

Pentane, 2-methyl-

penta2

1243

C₆H₁₄

Pentane, 3-methyl-

penta3

1244

C₄N₂

2-Butynedinitrile

c4n2

1245

C₄H₂N₂

Fumaronitrile

c4h2n2

1246

C₂H₂N₄

sym-tetrazine

ttz

1247

C₃H₃N₃

1,3,5-Triazine

triazine135

1248

CH₃N₅

5-Aminotetrazole

c4418615

1249

C₄H₄N₂

1,3-Diazine

diazine13

1250

C₄H₄N₂

Pyrazine

pyrazine

1251

C₄H₄N₂

Pyridazine

pyridazine

1252

C₄H₄N₂

Succinonitrile

c110612

1253

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1254

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1255

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1256

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1257

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1258

C₅H₅N

Pyridine

pyridine

1259

B₃N₃H₆

borazine

1260

C₆H₆

Fulvene

fulvene

1261

C₅H₆N⁺

Pyridinium

c5h6n

1262

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1263

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1264

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1265

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1266

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1267

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1268

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1269

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1270

C₅H₉N

Pentanenitrile

c110598

1271

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1272

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1273

C₅H₁₁N

Cyclopentanamine

cypentam

1274

C₅H₁₁N

Piperidine

piper

1275

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1276

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1277

Li₂CO₃

Lithium Carbonate

li2co3

1278

Na₂CO₃

Sodium Carbonate

na2co3

1279

C₂O₄^--

oxalate anion

c2o4

1280

N₂O₄

Dinitrogen tetroxide

n2o4

1281

C₂H₃NO₃

Oxamic acid

oxamic

1282

C₄H₄O₂

2(5H)-Furanone

furanone

1283

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1284

C₂H₄N₂O₂

Oxalamide

oxalamide

1285

C₂H₄CO₃

Ethylene carbonate

etco3

1286

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1287

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1288

C₂H₄O₄

Formic acid dimer

fadimer

1289

C₄H₅NO

3-Methylisoxazole

isox3m

1290

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1291

C₄H₅NS

4-Methylthiazole

c693958

1292

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1293

C₅H₆O

2-methylfuran

furan2m

1294

C₅H₆O

3-Methylfuran

furan3m

1295

C₅H₆S

Thiophene, 2-methyl-

c554143

1296

C₅H₆S

Thiophene, 3-methyl-

c616444

1297

C₄H₆O₂

2,3-Butanedione

c431038

1298

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1299

C₄H₆O₂

Crotonic Acid

crot

1300

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1301

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1302

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1303

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1304

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1305

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1306

C₄H₆OS

Vinyl sulfoxide

c1115157

1307

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1308

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1309

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1310

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1311

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1312

C₄H₇NO

2-Pyrrolidinone

c616455

1313

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1314

C₄H₇NO

Methacrylamide

c79390

1315

C₄H₇NO

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

c1120645

1316

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1317

C₃H₇ONO

Propyl nitrite

prono

1318

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1319

CH₃CH(NH₂)COOH

Alanine

alanine

1320

CH₃NHCH₂COOH

Sarcosine

sarcosine

1321

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1322

NH₂COOC₂H₅

Urethane

urethane

1323

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1324

C₅H₈O

Cyclopentanone

c120923

1325

C₅H₈O

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

c1487156

1326

C₅H₈O

Methyl cyclopropyl ketone

c765435

1327

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1328

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1329

C₄H₈O₂

1,3-Dioxane

dioxan13

1330

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1331

C₄H₈O₂

1,4-Dioxane

dioxan14

1332

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1333

C₄H₈O₂

Ethyl acetate

c141786

1334

C₄H₈OS

s-Ethyl thioacetate

c625605

1335

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1336

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1337

C₄H₉NO

Butanamide

c541355

1338

C₄H₉NO

Propanamide, 2-methyl-

c563837

1339

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1340

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1341

C₅H₁₀O

2-methylbutyraldehyde

2meba

1342

C₅H₁₀O

2-Pentanone

mpk

1343

C₅H₁₀O

Cyclopentanol

c96413

1344

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1345

C₅H₁₀O

Pentanal

pal

1346

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1347

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1348

C₅H₁₀S

Cyclopentanethiol

c1679078

1349

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1350

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1351

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1352

C₄H₁₀O₂

1,3-Butanediol

budiol13

1353

C₄H₁₀O₂

1,4-Butanediol

budiol14

1354

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1355

C₄H₁₀OS

Diethyl sulfoxide

c70291

1356

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1357

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1358

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1359

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1360

C₅H₁₂O

1-Pentanol

pentanol1

1361

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1362

C₅H₁₂O

2-Pentanol

peol2

1363

C₅H₁₂O

3-Pentanol

pentan3ol

1364

C₅H₁₂O

Butane, 1-methoxy-

meobu

1365

C₅H₁₂O

Propane, 1-ethoxy-

proet

1366

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1367

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1368

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1369

C₅H₁₂S

1-Pentanethiol

c110667

1370

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1371

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1372

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1373

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1374

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1375

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1376

C₅H₁₂S

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

c6163640

1377

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1378

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1379

B₂F₄

Diboron tetrafluoride

b2f4

1380

B₂Cl₄

Diboron tetrachloride

b2cl4

1381

C₂F₄

Tetrafluoroethylene

c2f4

1382

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1383

C₂ClF₃

Ethene, chlorotrifluoro-

c2f3cl

1384

C₂FCl₃

fluorotrichloroethene

c2fcl3

1385

C₂Cl₄

Tetrachloroethylene

c2cl4

1386

C₂Br₄

tetrabromoethene

c2br4

1387

CF₃OF

Trifluoromethylhypofluorite

cf3of

1388

PF₅

Phosphorus pentafluoride

pf5

1389

AsF₅

Arsenic pentafluoride

asf5

1390

PCl₅

Phosphorus pentachloride

pcl5

1391

SF₅

Sulfur pentafluoride

sf5

1392

SbCl₅

Antimony pentachloride

sbcl5

1393

BrF₅

bromine pentafluoride

brf5

1394

ClF₅

chlorinepentafluoride

clf5

1395

IF₅

pentafluoroiodine

if5

1396

CF₃CHO

trifluoroacetaldehyde

cf3cho

1397

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1398

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1399

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1400

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1401

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

ch2clccl3

1402

CHCl₂CHCl₂

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

chcl2chcl2

1403

CF₃COOH

trifluoroacetic acid

cf3cooh

1404

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1405

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1406

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1407

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1408

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1409

C₄H₈Cl₂

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

c2211678

1410

C₄H₈Cl₂

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

c4028562

1411

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1412

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1413

C₆H₅CH₂

benzyl radical

benzyl

1414

C₆H₅CH₃

toluene

1415

C₇H₈

cycloheptatriene

cht

1416

C₇H₈

Norbornadiene

norbor

1417

C₇H₈

Quadricyclane

qucy

1418

C₇H₁₂

Norbornane

nor

1419

C₇H₁₄

cycloheptane

c7h14

1420

C₇H₁₆

2-methylhexane

2mhex

1421

C₇H₁₆

3-methylhexane

hex3m

1422

C₇H₁₆

heptane

1423

HN=C=C(CN)₂

Dicyanoketenimine

c4hn3

1424

C₆H₇N

2-Methylpyridine

1425

C₆H₅NH₂

aniline

1426

C₆H₁₃N

2-Methylpiperidine

pip2m

1427

C₆H₁₃N

cyclohexanamine

cham

1428

C₆H₁₅N

triethylamine

tea

1429

N₂O₅

Dinitrogen pentoxide

n2o5

1430

C₄H₂O₃

Maleic Anhydride

malan

1431

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1432

C₅H₄O₂

furfural

1433

C₆H₅O

phenoxy radical

phenoxy

1434

C₅H₅NO

2(1H)-Pyridinone

c72762006

1435

C₅H₅NO

2(3H)-Pyridinone

c9000048

1436

C₅H₅NO

2(5H)-Pyridinone

c9000037

1437

C₅H₅NO

2-Pyridinol

c109104

1438

C₅H₅NO

3(2H)-Pyridinone

c9000004

1439

C₅H₅NO

3(4H)-Pyridinone

c9000026

1440

C₅H₅NO

3(6H)-Pyridinone

c9000015

1441

C₅H₅NO

3-Pyridinol

c109002

1442

C₅H₅NO

4(1H)-Pryidinone

c9000060

1443

C₅H₅NO

4(3H)-Pryidinone

c9000059

1444

C₅H₅NO

4-Pyridinol

c626642

1445

C₆H₅OH

phenol

1446

C₆H₆O

2,4-Cyclohexadienone

c24599573

1447

C₆H₆O

2,5-Cyclohexadienone

c5664335

1448

C₆H₅SH

Benzenethiol

phsh

1449

HO₂CCHNH₂CH₂OH

Serine

serine

1450

C₅H₈O₂

Acetylacetone

acac

1451

C₄H₈O₂S

Sulfolane

sulfolane

1452

C₇H₁₀

Norbornene

norbornene

1453

CH(C₂H₃)₃

trivinyl methane

tvm

1454

C₆H₁₀O

cyclohexanone

chexo

1455

C₆H₁₂O

hexanal

c6h12o

1456

C₃H₇OC₃H₇

di-n-propyl ether

propr

1457

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1458

PF₆^-

Hexafluorophosphate ion

pf6-

1459

SeF₆

Selenium hexafluoride

sef6

1460

SF₅Cl

sulfur chloropentafluoride

sf5cl

1461

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1462

CF₃CHCl₂

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

cf3chcl2

1463

CHCl₂CClF₂

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

chcl2cclf2

1464

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1465

C₆H₅F

Fluorobenzene

bzf

1466

C₆H₅Cl

chlorobenzene

bzcl

1467

C₆H₅Br

bromobenzene

bzbr

1468

C₈H₆

Calicene

calicene

1469

C₆H₅CCH

phenylacetylene

phac

1470

C₈H₆

benzocyclobutadiene

bcbd

1471

C₈H₆

Pentalene

pentalene

1472

C₆H₅CHCH₂

Styrene

styrene

1473

C₈H₈

cubane

1474

C₈H₈

cyclooctatetraene

cot

1475

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1476

CH₃C₆H₄CH₃

meta-xylene

mxylene

1477

CH₃C₆H₄CH₃

paraxylene

pxylene

1478

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1479

C₈H₁₆

cyclooctane

cyclooct

1480

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1481

C₈H₁₈

Octane

c8h18

1482

C₆H₅CN

phenyl cyanide

phcn

1483

C₆H₁₂N₂

Triethylenediamine

ted

1484

C₄O₄^--

squarate dianion

c4o4--

1485

S₈

Octasulfur

1486

C₆H₄O₂

parabenzoquinone

pbq

1487

C₄H₄N₂O₂

Uracil

uracil

1488

C₆H₅CHO

benzaldehyde

benzal

1489

C₆H₅OCH₃

Anisole

anisole

1490

C₅H₉NO₂

Proline

proline

1491

C₆H₁₂O₂

Methyl pivalate

c598981

1492

C₆H₁₂O₂

Hexanoic acid

hexa

1493

C₄F₄

tetrafluorcyclobutadiene

c4f4

1494

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1495

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1496

CF₂ClCF₂Cl

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

cf2clcf2cl

1497

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1498

CF₂ClCFCl₂

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

cf2clcfcl2

1499

CF₃CCl₃

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

cf3ccl3

1500

C₂F₆

hexafluoroethane

c2f6

1501

IF₇

Iodine heptafluoride

if7

1502

C₆H₄F₂

metadifluorobenzene

mdfb

1503

C₆H₄F₂

orthodifluorobenzene

odfb

1504

C₆H₄F₂

1,4-difluorobenzene

pdfb

1505

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1506

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1507

C₉H₈

Indene

indene

1508

C₉H₈

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

snt

1509

C₉H₁₂

n-propyl benzene

prbz

1510

C₉H₂₀

Nonane

nonane

1511

C(CN)₄

tetracyanomethane

c5n4

1512

C₅H₄N₄

purine

1513

C₈H₇N

Indole

indole

1514

C₃H₃N₃O₃

cyanuric acid

cyanuric

1515

C₆H₅NO₂

Nitrobenzene

c6h5no2

1516

C₆H₅COOH

benzoic acid

benzo

1517

CH₃COC₆H₅

acetophenone

acph

1518

C₃Cl₃N₃

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

c3cl3n3

1519

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1520

C₁₀H₈

Azulene

azu

1521

C₁₀H₁₀

bullvalene

bullv

1522

C₁₀H₁₆

adamantane

1523

C₆N₄

Tetracyanoethylene

tcne

1524

C₆N₄^-

tetracyanoethylene anion

tcne-

1525

C₁₀H₂₂

Decane

decane

1526

C₄F₆

perfluorobutadiene

c4f6

1527

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1528

C₃F₈

perfluoropropane

c3f8

1529

Fe(CO)₅

Iron pentacarbonyl

ipc

1530

Fe(C₅H₅)₂

ferrocene

fecp2

1531

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1532

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1533

C₁₂H₈

Acenaphthylene

acenaph

1534

C₁₂H₈

biphenylene

biph

1535

C₁₂H₁₀

biphenyl

1536

C₁₂H₁₀

Heptalene

heptalene

1537

C₆H₁₂O₆

Inositol

inositol

1538

C₆F₆

hexafluorobenzene

c6f6

1539

C₁₃H₁₀

Fluorene

fluorene

1540

C₁₄H₁₀

Anthracene

anth

1541

C₁₄H₁₀

Phenanthrene

phenanthrene

1542

C₁₄H₁₄

Bibenzyl

bibenzyl

1543

C₁₂H₁₀N₂

azobenzene

1544

C₆H₅COC₆H₅

benzophenone

1545

C₁₆H₁₀

Pyrene

pyrene

1546

C₁₈H₁₂

Tetracene

tetracene

1547

C₁₉H₁₆

Triphenylmethane

tpm

1548

C₂₄H₁₂

Coronene

coronene

1549

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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