CCCBDB List of Species with completed calculations

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List of which calculations are completed at B97D3 /cc-pVDZ

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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	MgH	magnesium monohydride	²Σ	C_∞v
13	ZnH⁺	Zinc, protonated
14	BeH₂⁺	Beryllium dihydride cation
15	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
16	Al^-	Aluminum atom anion	³P	K_h
17	Al⁺	Aluminum atom cation	¹S	K_h
18	Ga	Gallium atom	²P
19	Ga^-	Gallium atom anion	³P	O_h
20	Ga⁺	Gallium atom cation	¹S
21	GaH	Gallium monohydride	¹Σ	C_∞v
22	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
23	BH₃⁺	boron trihydride cation	²B₂	C_2v
24	BH₃⁺	boron trihydride cation		C_2v
25	AlH₃^-	aluminum trihydride anion		C_3v
26	BH₄^-	borohydride anion	¹A₁	T_d
27	C	Carbon atom	³P₀	K_h
28	Si^-	Silicon atom anion	⁴S	K_h
29	Ge	Germanium atom	³P	K_h
30	Ge^-	Germanium anion	⁴S	K_h
31	Ge⁺	Germanium cation	²P	K_h
32	CH	Methylidyne	²Π_1/2	C_∞v
33	SiH	Silylidyne	²Π	C_∞v
34	GeH	germylidene	²Π	C_∞v
35	CH₂^-	methylene anion	²B₁	C_2v
36	GeH₂	germylene	¹A₁	C_2v
37	CH₃	Methyl radical	²A₁	D_3h
38	SiH₃	Silyl radical	²A₁	C_3v
39	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
40	GeH₃	Germyl radical	²A₁	C_3v
41	GeH₃⁺	germyl cation	¹A₁^'	D_3h
42	CH₄	Methane	¹A₁	T_d
43	SiH₂D₂	silane-d2
44	SiH₄	Silane	¹A₁	T_d
45	GeH₄	Germane	¹A₁	T_d
46	SiH₅⁺	Silane, protonated
47	N	Nitrogen atom	⁴S	K_h
48	P	Phosphorus atom	⁴S	K_h
49	V⁺	Vanadium atom cation	⁵D	K_h
50	As	Arsenic atomic	⁴S	K_h
51	As^-	Arsenic anion	³P	K_h
52	As⁺	Arsenic cation	³P	K_h
53	PH	phosphorus monohydride	³Σ^-	C_∞v
54	AsH	Arsenic monohydride	³Σ	C_∞v
55	NH₂	Amino radical	²B₁	C_2v
56	NH₂⁺	Amino cation	³B₁	C_2v
57	NH₂⁺	Amino cation	¹A₁	C_2v
58	NH₃	Ammonia	¹A₁	C_3v
59	PH₃	Phosphine	¹A₁	C_3v
60	PH₃⁺	Phosphine cation	²A₁	C_3v
61	AsH₃	Arsine	¹A₁	C_3v
62	AsH₃⁺	Arsine cation	²A₁	C_3v
63	AsH₄⁺	Arsonium
64	NH₄	Ammonium radical
65	NH₄⁺	ammonium cation	¹A₁	T_d
66	PH₄	Phosphoranyl radical
67	PH₄⁺	phosphonium cation
68	O	Oxygen atom	³S	K_h
69	S	Sulfur atom
70	Se	Selenium atom	³P	K_h
71	Se^-	Selenium atom anion	²P	K_h
72	Se⁺	Selenium atom cation	⁴S	K_h
73	OH	Hydroxyl radical	²Π	C_∞v
74	OH^-	hydroxide anion	¹Σ	C_∞v
75	OH⁺	hydoxyl cation	³Σ	C_∞v
76	HS^-	mercapto anion	¹Σ	C_∞v
77	HS⁺	sulfur monohydride cation	³Σ	C_∞v
78	CrH	Chromium hydride	⁶Σ	C_∞v
79	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
80	HSe	Selenium monohydride	²Π	C_∞v
81	HSe^-	selenium monohydride anion	¹Σ	C_∞v
82	HSe⁺	selenium monohydride cation	³Σ	C_∞v
83	H₂O	Water	¹A₁	C_2v
84	H₂O^-	water anion	²A₁	C_2v
85	H₂O^-	water anion	²A^'	C_s
86	H₂O⁺	water cation	²B₁	C_2v
87	HDO	Water-d1	¹A₁	C_2v
88	H₂S	Hydrogen sulfide	¹A₁	C_2v
89	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
90	H₂Se	Hydrogen selenide	¹A₁	C_2v
91	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
92	H₃O⁺	hydronium cation	¹A₁	C_3v
93	H₃S⁺	Sulfonium cation	¹A₁	C_3v
94	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
95	F	Fluorine atom	²P	K_h
96	F^-	Fluorine atom anion	¹S	K_h
97	F⁺	Fluorine atom cation	³S	K_h
98	F⁺	Fluorine atom cation	¹D	K_h
99	Cl	Chlorine atom	²P	K_h
100	Cl^-	Chlorine atom anion	¹S	K_h
101	Cl⁺	Chlorine atom cation	³P	K_h
102	Cl⁺	Chlorine atom cation	¹D	K_h
103	Br	Bromine atom	²P	K_h
104	Br^-	Bromine atom anion	¹S	K_h
105	Br⁺	Bromine atom cation	³P	K_h
106	HF	Hydrogen fluoride	¹Σ	C_∞v
107	HF^-	hydrogen fluoride anion	²Σ	C_∞v
108	HF⁺	hydrogen fluoride cation	²Π	C_∞v
109	HCl	Hydrogen chloride	¹Σ	C_∞v
110	HCl^-	hydrogen chloride anion	²Σ	C_∞v
111	HCl⁺	hydrogen chloride cation	²Π	C_∞v
112	HBr	hydrogen bromide	¹Σ	C_∞v
113	HBr^-	hydrogen bromide anion	²Σ	C_∞v
114	HBr⁺	hydrogen bromide cation	²Π	C_∞v
115	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
116	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
117	Ne	Neon atom
118	Kr	Krypton atom	¹S	K_h
119	Kr⁺	Krypton cation	²P	K_h
120	HeLi⁺	Helium Lithium cation
121	ArH⁺	Argon hydride cation	¹Σ	C_∞v
122	KrH⁺	Protonated Krypton	¹Σ	C_∞v
123	NaLi	lithium sodium	¹Σ	C_∞v
124	Na₂	Sodium diatomic	¹Σ_g	D_∞h
125	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
126	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
127	LiAl	Lithium Aluminum
128	NaAl	Sodium aluminum	¹Σ	C_∞v
129	HBBH	Diborane(2)	³Σ_G	D_∞h
130	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
131	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
132	B₂H₆	Diborane	¹A_g	D_2h
133	B₂H₆⁺	Diborane cation
134	CaC	Calcium monocarbide
135	BSi	Boron silicide	⁴Σ	C_∞v
136	BSi	Boron silicide	²Σ	C_∞v
137	GeC	Germanium monocarbide	¹Σ	C_∞v
138	SiGe	Silicon Germanium
139	C₂H	Ethynyl radical	²Σ	C_∞v
140	C₂H^-	Ethynyl anion	¹Σ	C_∞v
141	C₂H₂	Acetylene	¹Σ_g	D_∞h
142	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
143	C₂H₂⁺	acetylene cation
144	H₂CC^-	vinylidene anion
145	HCCH^-	acetylene anion
146	HCCH^-	acetylene anion
147	Si₂H₂	disilyne
148	Si₂H₂	disilyne
149	Si₂H₂	disilyne
150	Si₂H₂	disilyne
151	CH₃Li	methyl lithium	¹A₁	C_3v
152	C₂H₃	vinyl	²A^'	C_s
153	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
154	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
155	C₂H₄	Ethylene	¹A_g	D_2h
156	C₂H₄⁺	Ethylene cation	²B₃	D₂
157	Si₂H₄	Disilene
158	Si₂H₄	Disilene
159	Si₂H₄	Disilene
160	C₂H₅	Ethyl radical	²A^'	C_s
161	C₂H₆	Ethane	¹A_1g	D_3d
162	Si₂H₆	disilane	¹E_u	D_3d
163	LiN	Lithium Nitride	³Σ	C_∞v
164	LiP	Lithium monophosphide
165	LiP	Lithium monophosphide
166	MgN	Magnesium Nitride
167	MgN	Magnesium Nitride
168	GaAs	Gallium arsenide	³Π
169	GaAs	Gallium arsenide	¹Σ
170	CN	Cyano radical	²Σ	C_∞v
171	SiP	Silicon monophosphide	²Π	C_∞v
172	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
173	N₂	Nitrogen diatomic
174	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
175	PN	Phosphorus mononitride	¹Σ	C_∞v
176	HCN	Hydrogen cyanide	¹Σ	C_∞v
177	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
178	HNC⁺	hydrogen isocyanide cation
179	HCP⁺	Phosphaethyne cation
180	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
181	LiNH₂	lithium amide
182	HBNH	Boranimine	¹Σ	C_∞v
183	H₂NN	Isodiazene
184	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
185	CH₂NH	Methanimine	¹A^'	C_s
186	CH₂NH⁺	Methanimine cation
187	CHNH₂	aminomethylene
188	CHNH₂⁺	Aminocarbene cation
189	BH₂NH₂	Boranamine
190	N₂H₄	Hydrazine	¹A	C₂
191	CH₃NH₂	methyl amine	¹A^'	C_s
192	SiH₃NH₂	Silane, amino
193	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
194	BH₃PH₃	borane phosphine
195	BH₃NH₃	borane ammonia	¹A₁	C_3v
196	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
197	N₂H₇⁺	ammonia ammonium dimer
198	LiSe	Lithium monoselenide
199	CaO	Calcium monoxide	¹Σ	C_∞v
200	CaS	Calcium sulfide	¹Σ	C_∞v
201	BO	boron monoxide	²Σ	C_∞v
202	GaO	Gallium monoxide	²Σ	C_∞v
203	GaS	Gallium monosulfide
204	CO	Carbon monoxide	¹Σ	C_∞v
205	CO^-	carbon monoxide anion	²Π	C_∞v
206	CO⁺	carbon monoxide cation	²Σ	C_∞v
207	SiO	Silicon monoxide	¹Σ	C_∞v
208	SiS	silicon monosulfide	¹Σ	C_∞v
209	CSe	Carbon monoselenide	¹Σ	C_∞v
210	GeO	Germanium monoxide	¹Σ	C_∞v
211	SiSe	Silicon Monoselenide
212	SiSe⁺	Silicon Monoselenide cation
213	GeSe	Germanium monoselenide
214	NO	Nitric oxide	²Π	C_∞v
215	NO^-	nitric oxide anion	³Σ	C_∞v
216	NO⁺	nitric oxide cation	¹Σ	C_∞v
217	PO	Phosphorus monoxide	²Π	C_∞v
218	PS	phosphorus sulfide	²Σ	C_∞v
219	NSe	Nitrogen monoselenide	²Π	C_∞v
220	AsS	Arsenic monosulfide	²Π	C_∞v
221	PSe	Phosphorus monoselenide	²Π	C_∞v
222	AsSe	Arsenic monoselenide	²Π	C_∞v
223	O₂	Oxygen diatomic	³Σ_g	D_∞h
224	O₂^-	oxygen diatomic anion	²Π	D_∞h
225	O₂^--	dioxygen dianion
226	SO	Sulfur monoxide	³Σ	C_∞v
227	SO	Sulfur monoxide	¹Σ	C_∞v
228	SO⁺	sulfur monoxide cation	²Π	C_∞v
229	S₂	Sulfur diatomic	³Σ_g	D_∞h
230	SeO	Selenium monoxide	³Σ	C_∞v
231	Se₂	Selenium diatomic	³Σ_g	D_∞h
232	LiOH	lithium hydroxide	¹Σ	C_∞v
233	BeOH	beryllium monohydroxide	²A^'	C_s
234	HBO	Boron hydride oxide	¹Σ	C_∞v
235	HBS	hydrogen boron sulfide	¹Σ	C_∞v
236	COH	Hydroxymethylidyne
237	HCO	Formyl radical	²A^'	C_s
238	HCO^-	formyl anion	¹A^'	C_s
239	HCO⁺	Formyl cation	¹Σ	C_∞v
240	HNO	Nitrosyl hydride	¹A^'	C_s
241	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
242	HO₂⁺	Hydroperoxy cation	³A^"	C_s
243	HSO⁺	Sulfur Monoxide, S-protonated
244	SOH	Sulfur Hydroxide
245	SOH⁺	Sulfur Monoxide, protonated
246	H₂CO	Formaldehyde	¹A₁	C_2v
247	H₂CO^-	formaldehyde anion	²A^'	C_s
248	H₂CO^-	formaldehyde anion
249	H₂CO⁺	formaldehyde cation	²B₂	C_2v
250	H₂CS	Thioformaldehyde	¹A₁	C_2v
251	H₂CS^-	thioformaldehyde anion
252	H₂CS^-	thioformaldehyde anion
253	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
254	H₂CSe	Selenoformaldehyde
255	H₂O₂	Hydrogen peroxide	¹A	C₂
256	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
257	H₂OO	water oxide
258	HOSH	hydrogen thioperoxide
259	H₂S₂	Disulfane	¹A	C₂
260	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
261	H₂Se₂	hydrogen diselenide
262	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
263	CH₃O^-	methoxy anion	¹A₁	C_3v
264	NH₂OH	hydroxylamine	¹A^'	C_s
265	NH₂OH⁺	Hydroxylamine cation
266	NH₂SH	Thiohydroxylamine
267	NH₂SH	Thiohydroxylamine
268	NH₃S	sulfidoazane
269	CH₃OH	Methyl alcohol	¹A^'	C_s
270	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
271	CH₃SH	Methanethiol	¹A^'	C_s
272	SiH₃OH	silanol
273	NH₂OH₂⁺	protonated hydroxylamine
274	NH₃OH⁺	N-protonated hydroxylamine
275	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
276	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
277	LiF	lithium fluoride	¹Σ	C_∞v
278	LiCl	lithium chloride	¹Σ	C_∞v
279	NaF⁺	sodium fluoride cation	²Σ	C_∞v
280	LiBr	Lithium Bromide	¹Σ	C_∞v
281	LiF⁺	lithium fluoride cation	²Π	C_∞v
282	CaBr	Calcium monobromide
283	BF	Boron monofluoride	¹Σ	C_∞v
284	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
285	GaF	Gallium monofluoride	¹Σ	C_∞v
286	AlBr	Aluminum monobromide
287	GaCl	Gallium monochloride	¹Σ_G	C_∞v
288	GaBr	Gallium monobromide
289	CF	Fluoromethylidyne	²Π	C_∞v
290	SiCl	Clorosilylidyne	²Π	C_∞v
291	CBr	Carbon monobromide	²Π	C_∞v
292	GeF	Germanium monofluoride	²Π	C_∞v
293	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
294	GeCl	Germanium monochloride	²Π	C_∞v
295	GeCl⁺	Germanium monochloride cation
296	SiBr	Silicon monobromide	²Π	C_∞v
297	SiBr⁺	Silicon monobromide cation
298	NCl	nitrogen monochloride	³Σ	C_∞v
299	AsCl	Arsenic monochloride	³Σ	C_∞v
300	PBr	Phosphorus monobromide
301	ClO	Monochlorine monoxide	²Π	C_∞v
302	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
303	SF	Monosulfur monofluoride	²Π	C_∞v
304	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
305	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
306	BrO	Bromine monoxide	²Π	C_∞v
307	BrO⁺	Bromine monoxide cation
308	SBr	Sulfur monobromide radical
309	SBr⁺	Sulfur monobromide cation
310	SeCl	Selenium monochloride	²Π	C_∞v
311	SeBr	Selenium monobromide
312	BrCl	Bromine monochloride	¹Σ	C_∞v
313	F₂	Fluorine diatomic	¹Σ_g	D_∞h
314	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
315	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
316	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
317	ClF⁺	clorine monofluoride cation	²Π	C_∞v
318	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
319	BrF	Bromine monofluoride	¹Σ	C_∞v
320	Br₂	Bromine diatomic	¹Σ_g	D_∞h
321	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
322	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
323	HCF	Fluoromethylene	¹A^'	C_s
324	HCF	Fluoromethylene	³A^"	C_s
325	HSiF	fluorosilylene
326	HSiCl	Chlorosilylene
327	HSiBr	monobromosilylene
328	HOF	Hypofluorous acid	¹A^'	C_s
329	HOCl	hypochlorous acid	¹A^'	C_s
330	HOCl⁺	hypochlorous acid cation
331	F₂H⁺	Fluorine, protonated	¹A^'	C_s
332	ClFH⁺	Chlorine fluoride, F-protonated
333	FClH⁺	Chlorine fluoride, Cl-protonated
334	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
335	CH₂Br	bromomethyl radical
336	CH₂F	fluoromethyl radical	²A	C_s
337	CH₂F⁺	fluoromethyl cation
338	CH₂Cl⁺	chloromethyl cation
339	CH₂Cl	chloromethyl radical	²A^'	C_s
340	CH₂Cl	chloromethyl radical	²B₁	C_2v
341	NH₂Cl	chloramine	¹A^'	C_s
342	CH₃F⁺	methyl fluoride cation
343	CH₃F	Methyl fluoride	¹A₁	C_3v
344	CH₃Cl	Methyl chloride	¹A₁	C_3v
345	CH₃Cl⁺	Methyl chloride cation
346	SiH₃F	monofluorosilane	¹A₁	C_3v
347	SiH₃Cl	chlorosilane	¹A₁	C₁
348	CH₃Br	methyl bromide	¹A₁	C_3v
349	GeH₃F	monofluorogermane
350	GeH₃Cl	monochlorogermane
351	SiH₃Br	bromosilane	¹A₁	C_3v
352	NH₃Cl⁺	protonated monochloroammonia
353	CH₃ClH⁺	methyl chloride, protonated
354	NH₄Cl	Ammonium chloride
355	LiNe⁺	Lithium Neon cation
356	Ar₂	Argon diatomic	¹S_g	D_∞h
357	C₃	carbon trimer	¹Σ_g	D_∞h
358	C₃	carbon trimer	¹A₁	C_2v
359	SiC₂	Silicon dicarbide
360	C₃H₄	cyclopropene	¹A₁	C_2v
361	CH₂CCH₂	allene	¹A₁	D_2d
362	CH₃CCH	propyne	¹A^'	C_3v
363	C₃H₆	Cyclopropane	¹A₁^'	D_3h
364	CH₂CHCH₃	Propene	¹A^'	C_s
365	C₃H₇	n-Propyl radical	²A^"	C₁
366	C₃H₇⁺	cyclopropane, protonated
367	CH₃CHCH₃	Isopropyl radical	²A	C₂
368	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
369	C₃H₈	Propane	¹A₁	C_2v
370	Si₃H₈	trisilane
371	LiCN	lithium cyanide	¹Σ	C*V LiCN
372	ZnCN	Zinc monocyanide	²Σ	C_∞v
373	ZnNC	Zinc isocyanide	²Σ	C_∞v
374	AlCN	Aluminum monocyanide
375	AlNC	Aluminum isocyanide
376	CNN	Diazocarbene
377	N₃	azide radical	²Π_g	D_∞h
378	N₃⁺	azide cation	³Σ	C_∞v
379	HN₃	hydrogen azide	¹A^'	C_s
380	HN₃⁺	Hydrazoic acid cation
381	HNCNH	diiminomethane	¹A	C₂
382	HNNNH⁺	1,2-Triazadienium
383	NH₂NN⁺	hydrazoic acid, protonated
384	CH₃CN	Acetonitrile	¹A₁	C_3v
385	CH₃CN^-	acetonitrile anion	²E	C_3v
386	CH₃CN^-	acetonitrile anion	²A^'	C_s
387	CHNCH₂	2H-Azirine
388	CHNHCH	1H-Azirine
389	H₂CCNH	Ethenimine
390	H₂CNCH	methyleneaminomethylene
391	HCCNH₂	Ethynamine
392	HCNCH₂⁺	2H-Azirine cation
393	NH₂CNH⁺	cyanamide, cn protonated
394	NH₃CN⁺	cyanamide, amine protonated
395	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
396	CH₃CH₂NH₂	Ethylamine
397	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
398	Li₂O	dilithium oxide	¹Σ_g	D_∞h
399	Na₂O	disodium monoxide	¹Σ_g	Linear
400	Na₂O	disodium monoxide	¹A₁	C_2v
401	Na₂S	Sodium sulfide
402	Na₂S	Sodium sulfide
403	LiO₂	Lithium dioxide
404	NaO₂	Sodium superoxide
405	NCO	isocyanato radical	²Π	C_∞v
406	N₂O	Nitrous oxide	¹Σ	C_∞v
407	CO₂	Carbon dioxide	¹Σ_g	D_∞h
408	OCS	Carbonyl sulfide	¹Σ	C_∞v
409	CS₂	Carbon disulfide	¹Σ_g	D_∞h
410	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
411	OCSe	Carbonyl selenide	¹Σ	C_∞v
412	SCSe	Carbon sulfide selenide
413	NO₂	Nitrogen dioxide	²A₁	C_2v
414	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
415	NSO	sulfinyl amidogen
416	SNO	Nitrogen oxide sulfide
417	O₃	Ozone	¹A₁	C_s
418	SO₂	Sulfur dioxide	¹A₁	C_2v
419	SSO	Disulfur monoxide	¹A^'	C_s
420	S₃	Sulfur trimer	¹A₁	C_2v
421	S₃	Sulfur trimer
422	SeO₂	Selenium dioxide	¹A₁	C_2v
423	HCCO	ketenyl radical	²Π	C_∞v
424	HCCO	ketenyl radical	²A^"	C_s
425	HCNO	fulminic acid	¹Σ	C_∞v
426	HNCS	Isothiocyanic acid
427	HSCN	thiocyanic acid	¹A^'	C_s
428	HOCO	Hydrocarboxyl radical	¹A^'	cis
429	HOCO	Hydrocarboxyl radical	¹A^'	trans
430	O₃H⁺	protonated ozone	¹A^'	C_s
431	O₃H⁺	protonated ozone
432	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
433	C₂H₂O	Oxirene	¹A₁	C_2v
434	CH₂CO	Ketene	¹A₁	C_2v
435	CH₂CS	Thioketene
436	Be(OH)₂	Beryllium hydroxide
437	Be(OH)₂	Beryllium hydroxide
438	H₂COO	Dioxymethyl radical	²A^'	C_s
439	H₂COO⁺	dioxymethyl cation	²A^'	C_s
440	HCOOH	Formic acid	¹A^'	C_s
441	HCOOH	Formic acid
442	BH₃CO	Borane carbonyl	¹A₁	C_3v
443	CH₂COH⁺	ketene, protonated
444	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
445	CHSNH₂	thioformamide
446	NHCHSH	Methanimidothioic acid
447	C₂H₄O	Ethylene oxide	¹A₁	C_2v
448	C₂H₄O⁺	ethylene oxide cation
449	CH₃CHO	Acetaldehyde	¹A^'	C_s
450	CH₃CHO⁺	acetaldehyde cation
451	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
452	C₂H₄S	Thiirane	¹A₁	C_2v
453	CH₂CHSH	Ethenethiol
454	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
455	NH₂CHOH⁺	Formamide, O-protonated
456	CH₃SSH	Hydrogen methyl disulfide
457	HSCH₂SH	Methanedithiol
458	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
459	NH₂CH₂OH	aminomethanol
460	CH₃CH₂OH	Ethanol	¹A^'	C_s
461	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
462	CH₃CH₂SH	ethanethiol	¹A^'	C_s
463	CH₃CH₂SH	ethanethiol	¹A	C₁
464	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
465	CH₃SCH₃⁺	dimethyl sulfide cation
466	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
467	CNF	iso cyanogen fluoride	¹Σ	C_∞v
468	BrCN	Cyanogen bromide	¹Σ	C_∞v
469	FBO	Boron monofluoride monoxide
470	BeBr₂	Beryllium bromide
471	CaBr₂	Calcium dibromide
472	BF₂	Boron difluoride radical	²A₁	C_2v
473	FNO	Nitrosyl fluoride	¹A^'	C_s
474	ClNO	Nitrosyl chloride	¹A^'	C_s
475	FNS	Thionitrosyl fluoride	¹A^'	C_s
476	FSN	Thiazyl fluoride	¹A^'	C_s
477	OPCl	Phosphorus oxychloride
478	CF₂	Difluoromethylene	¹A₁	D_∞h
479	CFCl	chlorofluoromethylene	¹A^'	C_s
480	SiF₂	Silicon difluoride	¹A₁	C_2v
481	GeCl₂	Germanium dichloride	¹A₁	C_2v
482	CBr₂	dibromomethylene	¹A₁	C_2v
483	CBr₂	dibromomethylene	³B₁	C_2v
484	FOO⁺	Fluorine dioxide cation
485	OClO	Chlorine dioxide	²B₁	D_∞h
486	OClO^-	Chlorine dioxide anion	¹A^'	C_s
487	ClSO	Sulfur chloride oxide	²A^"	C_s
488	BrOO	Bromine dioxide
489	OBrO	Bromine dioxide radical	²B₁	C_2v
490	PF₂	Phosphorus difluoride
491	PF₂⁺	Phosphorus difluoride cation
492	FClO	chlorosyl fluoride	¹A^'	C_s
493	ClOF	Chlorine hypofluorite	¹A^'	C_s
494	SF₂	sulfur difluoride	¹A₁	C_2v
495	SeF₂	Selenium difluoride
496	SeCl₂	Selenium Dichloride
497	SBr₂	Sulfur dibromide
498	SeBr₂	Selenium dibromide
499	Br₃^-	tribromide anion
500	SFCl	Sulfur chloride fluoride

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

MgH

magnesium monohydride

²Σ

C_∞v

ZnH⁺

Zinc, protonated

BeH₂⁺

Beryllium dihydride cation

MgH₂

magnesium dihydride

¹Σ_g

D_∞h

Al^-

Aluminum atom anion

³P

K_h

Al⁺

Aluminum atom cation

¹S

K_h

Gallium atom

²P

Ga^-

Gallium atom anion

³P

O_h

Ga⁺

Gallium atom cation

¹S

GaH

Gallium monohydride

¹Σ

C_∞v

GaH⁺

Gallium monohydride cation

²Σ

C_∞v

BH₃⁺

boron trihydride cation

²B₂

C_2v

BH₃⁺

boron trihydride cation

C_2v

AlH₃^-

aluminum trihydride anion

C_3v

BH₄^-

borohydride anion

¹A₁

T_d

Carbon atom

³P₀

K_h

Si^-

Silicon atom anion

⁴S

K_h

Germanium atom

³P

K_h

Ge^-

Germanium anion

⁴S

K_h

Ge⁺

Germanium cation

²P

K_h

Methylidyne

²Π_1/2

C_∞v

SiH

Silylidyne

²Π

C_∞v

GeH

germylidene

²Π

C_∞v

CH₂^-

methylene anion

²B₁

C_2v

GeH₂

germylene

¹A₁

C_2v

CH₃

Methyl radical

²A₁

D_3h

SiH₃

Silyl radical

²A₁

C_3v

SiH₃⁺

Silyl cation

¹A₁^'

D_3h

GeH₃

Germyl radical

²A₁

C_3v

GeH₃⁺

germyl cation

¹A₁^'

D_3h

CH₄

Methane

¹A₁

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

AsH

Arsenic 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

PH₃

Phosphine

¹A₁

C_3v

PH₃⁺

Phosphine cation

²A₁

C_3v

AsH₃

Arsine

¹A₁

C_3v

AsH₃⁺

Arsine cation

²A₁

C_3v

AsH₄⁺

Arsonium

NH₄

Ammonium radical

NH₄⁺

ammonium cation

¹A₁

T_d

PH₄

Phosphoranyl radical

PH₄⁺

phosphonium cation

Oxygen atom

³S

K_h

Sulfur atom

Selenium atom

³P

K_h

Se^-

Selenium atom anion

²P

K_h

Se⁺

Selenium atom cation

⁴S

K_h

Hydroxyl radical

²Π

C_∞v

OH^-

hydroxide anion

¹Σ

C_∞v

OH⁺

hydoxyl cation

³Σ

C_∞v

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

100

Cl^-

Chlorine atom anion

¹S

K_h

101

Cl⁺

Chlorine atom cation

³P

K_h

102

Cl⁺

Chlorine atom cation

¹D

K_h

103

Bromine atom

²P

K_h

104

Br^-

Bromine atom anion

¹S

K_h

105

Br⁺

Bromine atom cation

³P

K_h

106

Hydrogen fluoride

¹Σ

C_∞v

107

HF^-

hydrogen fluoride anion

²Σ

C_∞v

108

HF⁺

hydrogen fluoride cation

²Π

C_∞v

109

HCl

Hydrogen chloride

¹Σ

C_∞v

110

HCl^-

hydrogen chloride anion

²Σ

C_∞v

111

HCl⁺

hydrogen chloride cation

²Π

C_∞v

112

HBr

hydrogen bromide

¹Σ

C_∞v

113

HBr^-

hydrogen bromide anion

²Σ

C_∞v

114

HBr⁺

hydrogen bromide cation

²Π

C_∞v

115

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

116

H₂Br⁺

protonated hydrogen bromide

²A₁

C_2v

117

Neon atom

118

Krypton atom

¹S

K_h

119

Kr⁺

Krypton cation

²P

K_h

120

HeLi⁺

Helium Lithium cation

121

ArH⁺

Argon hydride cation

¹Σ

C_∞v

122

KrH⁺

Protonated Krypton

¹Σ

C_∞v

123

NaLi

lithium sodium

¹Σ

C_∞v

124

Na₂

Sodium diatomic

¹Σ_g

D_∞h

125

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

126

Na₂⁺

sodium diatomic cation

²Σ_g

D_∞h

127

LiAl

Lithium Aluminum

128

NaAl

Sodium aluminum

¹Σ

C_∞v

129

HBBH

Diborane(2)

³Σ_G

D_∞h

130

B₂H₄

Diborane(4) D2d

¹A₁

D_2d

131

HBHHBH

Diborane(4) C2V

¹A₁

C_2v

132

B₂H₆

Diborane

¹A_g

D_2h

133

B₂H₆⁺

Diborane cation

134

CaC

Calcium monocarbide

135

BSi

Boron silicide

⁴Σ

C_∞v

136

BSi

Boron silicide

²Σ

C_∞v

137

GeC

Germanium monocarbide

¹Σ

C_∞v

138

SiGe

Silicon Germanium

139

C₂H

Ethynyl radical

²Σ

C_∞v

140

C₂H^-

Ethynyl anion

¹Σ

C_∞v

141

C₂H₂

Acetylene

¹Σ_g

D_∞h

142

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

143

C₂H₂⁺

acetylene cation

144

H₂CC^-

vinylidene anion

145

HCCH^-

acetylene anion

146

HCCH^-

acetylene anion

147

Si₂H₂

disilyne

148

Si₂H₂

disilyne

149

Si₂H₂

disilyne

150

Si₂H₂

disilyne

151

CH₃Li

methyl lithium

¹A₁

C_3v

152

C₂H₃

vinyl

²A^'

C_s

153

C₂H₃⁺

vinyl cation

¹A₁

C2V bridging H

154

C₂H₃⁺

vinyl cation

¹A₁

C2V HCCH2

155

C₂H₄

Ethylene

¹A_g

D_2h

156

C₂H₄⁺

Ethylene cation

²B₃

D₂

157

Si₂H₄

Disilene

158

Si₂H₄

Disilene

159

Si₂H₄

Disilene

160

C₂H₅

Ethyl radical

²A^'

C_s

161

C₂H₆

Ethane

¹A_1g

D_3d

162

Si₂H₆

disilane

¹E_u

D_3d

163

LiN

Lithium Nitride

³Σ

C_∞v

164

LiP

Lithium monophosphide

165

LiP

Lithium monophosphide

166

MgN

Magnesium Nitride

167

MgN

Magnesium Nitride

168

GaAs

Gallium arsenide

³Π

169

GaAs

Gallium arsenide

¹Σ

170

Cyano radical

²Σ

C_∞v

171

SiP

Silicon monophosphide

²Π

C_∞v

172

N₂

Nitrogen diatomic

¹Σ_g

D_∞h

173

N₂

Nitrogen diatomic

174

N₂^-

nitrogen diatomic anion

²Π_g

D_∞h

175

Phosphorus mononitride

¹Σ

C_∞v

176

HCN

Hydrogen cyanide

¹Σ

C_∞v

177

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

178

HNC⁺

hydrogen isocyanide cation

179

HCP⁺

Phosphaethyne cation

180

NNH⁺

Dinitrogen monohydride cation

¹Σ

C_∞v

181

LiNH₂

lithium amide

182

HBNH

Boranimine

¹Σ

C_∞v

183

H₂NN

Isodiazene

184

N₂H₂⁺

trans-diazene cation

²A_G

C_2h

185

CH₂NH

Methanimine

¹A^'

C_s

186

CH₂NH⁺

Methanimine cation

187

CHNH₂

aminomethylene

188

CHNH₂⁺

Aminocarbene cation

189

BH₂NH₂

Boranamine

190

N₂H₄

Hydrazine

¹A

C₂

191

CH₃NH₂

methyl amine

¹A^'

C_s

192

SiH₃NH₂

Silane, amino

193

N₂H₅⁺

protonated hydrazine

¹A^'

C_s

194

BH₃PH₃

borane phosphine

195

BH₃NH₃

borane ammonia

¹A₁

C_3v

196

CH₃NH₃

methyl ammonium radical

²A₁

C_3v

197

N₂H₇⁺

ammonia ammonium dimer

198

LiSe

Lithium monoselenide

199

CaO

Calcium monoxide

¹Σ

C_∞v

200

CaS

Calcium sulfide

¹Σ

C_∞v

201

boron monoxide

²Σ

C_∞v

202

GaO

Gallium monoxide

²Σ

C_∞v

203

GaS

Gallium monosulfide

204

Carbon monoxide

¹Σ

C_∞v

205

CO^-

carbon monoxide anion

²Π

C_∞v

206

CO⁺

carbon monoxide cation

²Σ

C_∞v

207

SiO

Silicon monoxide

¹Σ

C_∞v

208

SiS

silicon monosulfide

¹Σ

C_∞v

209

CSe

Carbon monoselenide

¹Σ

C_∞v

210

GeO

Germanium monoxide

¹Σ

C_∞v

211

SiSe

Silicon Monoselenide

212

SiSe⁺

Silicon Monoselenide cation

213

GeSe

Germanium monoselenide

214

Nitric oxide

²Π

C_∞v

215

NO^-

nitric oxide anion

³Σ

C_∞v

216

NO⁺

nitric oxide cation

¹Σ

C_∞v

217

Phosphorus monoxide

²Π

C_∞v

218

phosphorus sulfide

²Σ

C_∞v

219

NSe

Nitrogen monoselenide

²Π

C_∞v

220

AsS

Arsenic monosulfide

²Π

C_∞v

221

PSe

Phosphorus monoselenide

²Π

C_∞v

222

AsSe

Arsenic monoselenide

²Π

C_∞v

223

O₂

Oxygen diatomic

³Σ_g

D_∞h

224

O₂^-

oxygen diatomic anion

²Π

D_∞h

225

O₂^--

dioxygen dianion

226

Sulfur monoxide

³Σ

C_∞v

227

Sulfur monoxide

¹Σ

C_∞v

228

SO⁺

sulfur monoxide cation

²Π

C_∞v

229

S₂

Sulfur diatomic

³Σ_g

D_∞h

230

SeO

Selenium monoxide

³Σ

C_∞v

231

Se₂

Selenium diatomic

³Σ_g

D_∞h

232

LiOH

lithium hydroxide

¹Σ

C_∞v

233

BeOH

beryllium monohydroxide

²A^'

C_s

234

HBO

Boron hydride oxide

¹Σ

C_∞v

235

HBS

hydrogen boron sulfide

¹Σ

C_∞v

236

COH

Hydroxymethylidyne

237

HCO

Formyl radical

²A^'

C_s

238

HCO^-

formyl anion

¹A^'

C_s

239

HCO⁺

Formyl cation

¹Σ

C_∞v

240

HNO

Nitrosyl hydride

¹A^'

C_s

241

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

242

HO₂⁺

Hydroperoxy cation

³A^"

C_s

243

HSO⁺

Sulfur Monoxide, S-protonated

244

SOH

Sulfur Hydroxide

245

SOH⁺

Sulfur Monoxide, protonated

246

H₂CO

Formaldehyde

¹A₁

C_2v

247

H₂CO^-

formaldehyde anion

²A^'

C_s

248

H₂CO^-

formaldehyde anion

249

H₂CO⁺

formaldehyde cation

²B₂

C_2v

250

H₂CS

Thioformaldehyde

¹A₁

C_2v

251

H₂CS^-

thioformaldehyde anion

252

H₂CS^-

thioformaldehyde anion

253

H₂CS⁺

thioformaldehyde cation

²B₂

C_2v

254

H₂CSe

Selenoformaldehyde

255

H₂O₂

Hydrogen peroxide

¹A

C₂

256

H₂O₂

Hydrogen peroxide

¹A_g

C_2h

257

H₂OO

water oxide

258

HOSH

hydrogen thioperoxide

259

H₂S₂

Disulfane

¹A

C₂

260

H₂S₂⁺

hydrogen disulfide cation

²B_g

C_2h

261

H₂Se₂

hydrogen diselenide

262

CH₂OH⁺

hydroxymethyl cation

¹A^'

C_s

263

CH₃O^-

methoxy anion

¹A₁

C_3v

264

NH₂OH

hydroxylamine

¹A^'

C_s

265

NH₂OH⁺

Hydroxylamine cation

266

NH₂SH

Thiohydroxylamine

267

NH₂SH

Thiohydroxylamine

268

NH₃S

sulfidoazane

269

CH₃OH

Methyl alcohol

¹A^'

C_s

270

CH₃OH⁺

Methyl alcohol cation

²A^"

C_s

271

CH₃SH

Methanethiol

¹A^'

C_s

272

SiH₃OH

silanol

273

NH₂OH₂⁺

protonated hydroxylamine

274

NH₃OH⁺

N-protonated hydroxylamine

275

CH₃SH₂⁺

protonated methylsulfide

¹A^'

C_s

276

H₅O₂⁺

Dihydroxonium ion

¹A

C₂

277

LiF

lithium fluoride

¹Σ

C_∞v

278

LiCl

lithium chloride

¹Σ

C_∞v

279

NaF⁺

sodium fluoride cation

²Σ

C_∞v

280

LiBr

Lithium Bromide

¹Σ

C_∞v

281

LiF⁺

lithium fluoride cation

²Π

C_∞v

282

CaBr

Calcium monobromide

283

Boron monofluoride

¹Σ

C_∞v

284

AlF

Aluminum monofluoride

¹Σ⁺

C_∞v

285

GaF

Gallium monofluoride

¹Σ

C_∞v

286

AlBr

Aluminum monobromide

287

GaCl

Gallium monochloride

¹Σ_G

C_∞v

288

GaBr

Gallium monobromide

289

Fluoromethylidyne

²Π

C_∞v

290

SiCl

Clorosilylidyne

²Π

C_∞v

291

CBr

Carbon monobromide

²Π

C_∞v

292

GeF

Germanium monofluoride

²Π

C_∞v

293

GeF⁺

Germanium monofluoride cation

¹Σ

C_∞v

294

GeCl

Germanium monochloride

²Π

C_∞v

295

GeCl⁺

Germanium monochloride cation

296

SiBr

Silicon monobromide

²Π

C_∞v

297

SiBr⁺

Silicon monobromide cation

298

NCl

nitrogen monochloride

³Σ

C_∞v

299

AsCl

Arsenic monochloride

³Σ

C_∞v

300

PBr

Phosphorus monobromide

301

ClO

Monochlorine monoxide

²Π

C_∞v

302

ClO⁺

chlorine monoxide cation

³Σ

C_∞v

303

Monosulfur monofluoride

²Π

C_∞v

304

SF⁺

sulfur monofluoride cation

³Σ

C_∞v

305

SCl⁺

sulfur monochloride cation

³Σ_g

C_∞v

306

BrO

Bromine monoxide

²Π

C_∞v

307

BrO⁺

Bromine monoxide cation

308

SBr

Sulfur monobromide radical

309

SBr⁺

Sulfur monobromide cation

310

SeCl

Selenium monochloride

²Π

C_∞v

311

SeBr

Selenium monobromide

312

BrCl

Bromine monochloride

¹Σ

C_∞v

313

F₂

Fluorine diatomic

¹Σ_g

D_∞h

314

F₂^-

flourine diatomic anion

²Σ_u

D_∞h

315

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

316

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

317

ClF⁺

clorine monofluoride cation

²Π

C_∞v

318

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

319

BrF

Bromine monofluoride

¹Σ

C_∞v

320

Br₂

Bromine diatomic

¹Σ_g

D_∞h

321

Br₂^-

bromine diatomic anion

²Σ_u

D_∞h

322

Br₂⁺

bromine diatomic cation

²Π_g

D_∞h

323

HCF

Fluoromethylene

¹A^'

C_s

324

HCF

Fluoromethylene

³A^"

C_s

325

HSiF

fluorosilylene

326

HSiCl

Chlorosilylene

327

HSiBr

monobromosilylene

328

HOF

Hypofluorous acid

¹A^'

C_s

329

HOCl

hypochlorous acid

¹A^'

C_s

330

HOCl⁺

hypochlorous acid cation

331

F₂H⁺

Fluorine, protonated

¹A^'

C_s

332

ClFH⁺

Chlorine fluoride, F-protonated

333

FClH⁺

Chlorine fluoride, Cl-protonated

334

Cl₂H⁺

Chlorine, protonated

¹A^'

C_s

335

CH₂Br

bromomethyl radical

336

CH₂F

fluoromethyl radical

²A

C_s

337

CH₂F⁺

fluoromethyl cation

338

CH₂Cl⁺

chloromethyl cation

339

CH₂Cl

chloromethyl radical

²A^'

C_s

340

CH₂Cl

chloromethyl radical

²B₁

C_2v

341

NH₂Cl

chloramine

¹A^'

C_s

342

CH₃F⁺

methyl fluoride cation

343

CH₃F

Methyl fluoride

¹A₁

C_3v

344

CH₃Cl

Methyl chloride

¹A₁

C_3v

345

CH₃Cl⁺

Methyl chloride cation

346

SiH₃F

monofluorosilane

¹A₁

C_3v

347

SiH₃Cl

chlorosilane

¹A₁

C₁

348

CH₃Br

methyl bromide

¹A₁

C_3v

349

GeH₃F

monofluorogermane

350

GeH₃Cl

monochlorogermane

351

SiH₃Br

bromosilane

¹A₁

C_3v

352

NH₃Cl⁺

protonated monochloroammonia

353

CH₃ClH⁺

methyl chloride, protonated

354

NH₄Cl

Ammonium chloride

355

LiNe⁺

Lithium Neon cation

356

Ar₂

Argon diatomic

¹S_g

D_∞h

357

C₃

carbon trimer

¹Σ_g

D_∞h

358

C₃

carbon trimer

¹A₁

C_2v

359

SiC₂

Silicon dicarbide

360

C₃H₄

cyclopropene

¹A₁

C_2v

361

CH₂CCH₂

allene

¹A₁

D_2d

362

CH₃CCH

propyne

¹A^'

C_3v

363

C₃H₆

Cyclopropane

¹A₁^'

D_3h

364

CH₂CHCH₃

Propene

¹A^'

C_s

365

C₃H₇

n-Propyl radical

²A^"

C₁

366

C₃H₇⁺

cyclopropane, protonated

367

CH₃CHCH₃

Isopropyl radical

²A

C₂

368

CH₃CHCH₃⁺

Isopropyl cation

¹A

C₂

369

C₃H₈

Propane

¹A₁

C_2v

370

Si₃H₈

trisilane

371

LiCN

lithium cyanide

¹Σ

C*V LiCN

372

ZnCN

Zinc monocyanide

²Σ

C_∞v

373

ZnNC

Zinc isocyanide

²Σ

C_∞v

374

AlCN

Aluminum monocyanide

375

AlNC

Aluminum isocyanide

376

CNN

Diazocarbene

377

N₃

azide radical

²Π_g

D_∞h

378

N₃⁺

azide cation

³Σ

C_∞v

379

HN₃

hydrogen azide

¹A^'

C_s

380

HN₃⁺

Hydrazoic acid cation

381

HNCNH

diiminomethane

¹A

C₂

382

HNNNH⁺

1,2-Triazadienium

383

NH₂NN⁺

hydrazoic acid, protonated

384

CH₃CN

Acetonitrile

¹A₁

C_3v

385

CH₃CN^-

acetonitrile anion

²E

C_3v

386

CH₃CN^-

acetonitrile anion

²A^'

C_s

387

CHNCH₂

2H-Azirine

388

CHNHCH

1H-Azirine

389

H₂CCNH

Ethenimine

390

H₂CNCH

methyleneaminomethylene

391

HCCNH₂

Ethynamine

392

HCNCH₂⁺

2H-Azirine cation

393

NH₂CNH⁺

cyanamide, cn protonated

394

NH₃CN⁺

cyanamide, amine protonated

395

C₂H₆N⁺

aziridine, protonated

¹A₁

C_2v

396

CH₃CH₂NH₂

Ethylamine

397

CH₃PHCH₃

dimethylphosphine

¹A^'

C_s

398

Li₂O

dilithium oxide

¹Σ_g

D_∞h

399

Na₂O

disodium monoxide

¹Σ_g

Linear

400

Na₂O

disodium monoxide

¹A₁

C_2v

401

Na₂S

Sodium sulfide

402

Na₂S

Sodium sulfide

403

LiO₂

Lithium dioxide

404

NaO₂

Sodium superoxide

405

NCO

isocyanato radical

²Π

C_∞v

406

N₂O

Nitrous oxide

¹Σ

C_∞v

407

CO₂

Carbon dioxide

¹Σ_g

D_∞h

408

OCS

Carbonyl sulfide

¹Σ

C_∞v

409

CS₂

Carbon disulfide

¹Σ_g

D_∞h

410

GeO₂

Germanium dioxide

¹Σ_g

D_∞h

411

OCSe

Carbonyl selenide

¹Σ

C_∞v

412

SCSe

Carbon sulfide selenide

413

NO₂

Nitrogen dioxide

²A₁

C_2v

414

NO₂⁺

Nitrogen dioxide cation

¹Σ_G

D_∞h

415

NSO

sulfinyl amidogen

416

SNO

Nitrogen oxide sulfide

417

O₃

Ozone

¹A₁

C_s

418

SO₂

Sulfur dioxide

¹A₁

C_2v

419

SSO

Disulfur monoxide

¹A^'

C_s

420

S₃

Sulfur trimer

¹A₁

C_2v

421

S₃

Sulfur trimer

422

SeO₂

Selenium dioxide

¹A₁

C_2v

423

HCCO

ketenyl radical

²Π

C_∞v

424

HCCO

ketenyl radical

²A^"

C_s

425

HCNO

fulminic acid

¹Σ

C_∞v

426

HNCS

Isothiocyanic acid

427

HSCN

thiocyanic acid

¹A^'

C_s

428

HOCO

Hydrocarboxyl radical

¹A^'

cis

429

HOCO

Hydrocarboxyl radical

¹A^'

trans

430

O₃H⁺

protonated ozone

¹A^'

C_s

431

O₃H⁺

protonated ozone

432

SO₂H⁺

protonated sulfur dioxide

¹A^'

C_s

433

C₂H₂O

Oxirene

¹A₁

C_2v

434

CH₂CO

Ketene

¹A₁

C_2v

435

CH₂CS

Thioketene

436

Be(OH)₂

Beryllium hydroxide

437

Be(OH)₂

Beryllium hydroxide

438

H₂COO

Dioxymethyl radical

²A^'

C_s

439

H₂COO⁺

dioxymethyl cation

²A^'

C_s

440

HCOOH

Formic acid

¹A^'

C_s

441

HCOOH

Formic acid

442

BH₃CO

Borane carbonyl

¹A₁

C_3v

443

CH₂COH⁺

ketene, protonated

444

HOCHNH

hydroxymethylimine

¹A^'

CS H all up

445

CHSNH₂

thioformamide

446

NHCHSH

Methanimidothioic acid

447

C₂H₄O

Ethylene oxide

¹A₁

C_2v

448

C₂H₄O⁺

ethylene oxide cation

449

CH₃CHO

Acetaldehyde

¹A^'

C_s

450

CH₃CHO⁺

acetaldehyde cation

451

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

452

C₂H₄S

Thiirane

¹A₁

C_2v

453

CH₂CHSH

Ethenethiol

454

CH₃CHS

Thioacetaldehyde

¹A^'

C₁

455

NH₂CHOH⁺

Formamide, O-protonated

456

CH₃SSH

Hydrogen methyl disulfide

457

HSCH₂SH

Methanedithiol

458

C₂H₄OH⁺

ethylene oxide, protonated

¹A^'

C_s

459

NH₂CH₂OH

aminomethanol

460

CH₃CH₂OH

Ethanol

¹A^'

C_s

461

CH₃OCH₃

Dimethyl ether

¹A₁

C_2v

462

CH₃CH₂SH

ethanethiol

¹A^'

C_s

463

CH₃CH₂SH

ethanethiol

¹A

C₁

464

CH₃SCH₃

Dimethyl sulfide

¹A₁

C_2v

465

CH₃SCH₃⁺

dimethyl sulfide cation

466

CH₃SeCH₃

dimethylselenide

¹A₁

C_2v

467

CNF

iso cyanogen fluoride

¹Σ

C_∞v

468

BrCN

Cyanogen bromide

¹Σ

C_∞v

469

FBO

Boron monofluoride monoxide

470

BeBr₂

Beryllium bromide

471

CaBr₂

Calcium dibromide

472

BF₂

Boron difluoride radical

²A₁

C_2v

473

FNO

Nitrosyl fluoride

¹A^'

C_s

474

ClNO

Nitrosyl chloride

¹A^'

C_s

475

FNS

Thionitrosyl fluoride

¹A^'

C_s

476

FSN

Thiazyl fluoride

¹A^'

C_s

477

OPCl

Phosphorus oxychloride

478

CF₂

Difluoromethylene

¹A₁

D_∞h

479

CFCl

chlorofluoromethylene

¹A^'

C_s

480

SiF₂

Silicon difluoride

¹A₁

C_2v

481

GeCl₂

Germanium dichloride

¹A₁

C_2v

482

CBr₂

dibromomethylene

¹A₁

C_2v

483

CBr₂

dibromomethylene

³B₁

C_2v

484

FOO⁺

Fluorine dioxide cation

485

OClO

Chlorine dioxide

²B₁

D_∞h

486

OClO^-

Chlorine dioxide anion

¹A^'

C_s

487

ClSO

Sulfur chloride oxide

²A^"

C_s

488

BrOO

Bromine dioxide

489

OBrO

Bromine dioxide radical

²B₁

C_2v

490

PF₂

Phosphorus difluoride

491

PF₂⁺

Phosphorus difluoride cation

492

FClO

chlorosyl fluoride

¹A^'

C_s

493

ClOF

Chlorine hypofluorite

¹A^'

C_s

494

SF₂

sulfur difluoride

¹A₁

C_2v

495

SeF₂

Selenium difluoride

496

SeCl₂

Selenium Dichloride

497

SBr₂

Sulfur dibromide

498

SeBr₂

Selenium dibromide

499

Br₃^-

tribromide anion

500

SFCl

Sulfur chloride fluoride

501

HCCF

Fluoroacetylene

¹Σ

C_∞v

502

HCCBr

bromoacetylene

¹Σ

C_∞v

503

CHF₂

difluoromethyl radical

²A

C_s

504

CHF₂⁺

difluoromethyl cation

505

CHFCl

Chlorofluoromethyl radical

506

CHFCl⁺

Chlorofluoromethyl cation

507

CHCl₂⁺

dichloromethyl cation

508

CHBr₂

dibromomethyl radical

509

NHF₂

difluoramine

510

NHCl₂

dichloroamine

511

CH₂F₂

Methane, difluoro-

¹A₁

C_2v

512

SiH₂F₂

difluorosilane

513

CH₂Cl₂

Methylene chloride

¹A₁

C_2v

514

CH₂BrF

Methane, bromofluoro-

¹A^'

C_s

515

CH₂BrCl

Methane, bromochloro-

¹A^'

C_s

516

CH₂Br₂

dibromomethane

¹A₁

C_2v

517

CH₃MgBr

Methyl Magnesium Bromide

518

CH₂CHF

Ethene, fluoro-

¹A^'

C_s

519

CH₂FOH

fluoromethanol

520

CH₂CH₂Cl

2-chloroethyl radical

²A^'

C_s

521

CHClCH₃

1-chloroethyl radical

²A

C₁

522

C₂H₅Br

Ethyl bromide

¹A^'

C_s

523

C₄

Carbon tetramer

³Σ_g

D_∞h

524

C₄

Carbon tetramer

525

C₄H₂⁺

diacetlyene cation

²Π_g

D_∞h

526

C₄H₄

Tetrahedrane

527

C₄H₆

1-Methylcyclopropene

¹A

C₁

528

CH₂CHCH₂CH₃

1-Butene

¹A

C₁

529

CH₃CH₂CH₂CH₃

Butane

¹A_g

Anti

530

CH₃CH₂CH₂CH₃

Butane

¹A

Gauche

531

As₄

Arsenic tetramer

¹A₁

T_d

532

HCCCN⁺

Cyanoacetylene cation

²Π

C_∞v

533

H₂CNCN

cyanamide, methylene

534

HNCCNH

Ethenediimine

535

NH₂CCNH₂

Diaminoacetylene

¹A

C₂

536

NH₂CH₂CN

Aminoacetonitrile

¹A^'

C_s

537

C₂H₅CN

ethyl cyanide

¹A^'

C_s

538

C₄H₆

Bicyclo[1.1.0]butane

¹A₁

C_2v

539

H₂NCHCHNH₂

diaminoethylene

540

CH₇N₃

triaminomethane

541

NH₂CH₂CH₂CH₃

1-Propanamine

¹A^'

C_s

542

N(SiH₃)₃

trisilylamine

543

(CH₃)₃NH⁺

protonated trimethyl amine

544

C₃H₇NH₃⁺

n-propylamine, protonated

¹A^'

C_s

545

C₃O

Tricarbon monoxide

¹Σ

C_∞v

546

ONNO

NO dimer

¹A_g

trans C2H

547

ONNO

NO dimer

¹A₁

cis C2V

548

S₂N₂

Disulfur dinitride

¹A_G

D_2h

549

CS₃^--

Carbonotrithioate

550

SO₃

Sulfur trioxide

¹A₁^'

D_3h

551

SO₃^--

Sulfate dianion

552

S₄

Sulfur tetramer

553

S₄

Sulfur tetramer

554

S₄

Sulfur tetramer

555

HNO₃

Nitric acid

¹A^'

C_s

556

C₃H₂O

Propadienal

557

C₃H₂O

Propadienal

558

C₂H₂O₂

Ethanedial

¹A_g

C_2h

559

C₂H₃NO

Nitrosoethylene

560

CH₃NCO

methylisocyante

561

HOCH₂CN

cyanomethanol

562

CH₃NO₂

Methane, nitro-

¹A^'

C_s

563

H₃AlO₃

Aluminum hydroxide

564

CH₂CHCHO

Acrolein

¹A^'

C_s

565

CH₂CHCHO

Acrolein

566

CH₂C(OH)NH₂

1-amino vinyl alchohol

567

CH₃C(OH)=NH

Ethaninidic acid

568

CH₃CSNH₂

Ethanethioamide

569

C₃H₅OH

Cyclopropanol

¹A

C₁

570

C₃H₆O

Acetone enol

¹A^'

C_s

571

CH₃CH₂CHO

Propanal

¹A^'

C_s

572

CH₃COCH₃

Acetone

¹A₁

C_2v

573

CH₃SOCH₃

Dimethyl sulfoxide

¹A^'

C_s

574

C₃H₇OH

1-Propanol

575

Li₂F₂

Lithium fluoride dimer

576

FNO₂

Nitryl fluoride

¹A₁

C_2v

577

FONO

Nitrosyl hypofluorite

¹A^'

CS cis

578

CF₂O

Carbonic difluoride

¹A₁

C_2v

579

CF₂O⁺

Carbonic difluoride cation

580

BF₃⁺

boron trifluoride cation

581

BClF₂

Chlorodifluoroborane

582

BCl₃

Borane, trichloro-

¹A₁^'

D_3h

583

BCl₃⁺

Boron Trichloride cation

584

GaF₃

Gallium trifluoride

¹A₁^'

D_3h

585

GaCl₃

Gallium trichloride

¹A₁^'

D_3h

586

CF₂Cl

difluorochloromethyl radical

587

CFCl₂

dichlorofluoromethyl radical

588

CBr₃

tribromomethyl radical

589

ClO₂F

Chloryl fluoride

¹A^'

C_s

590

SSCl₂

Thiothionyl chloride

591

NF₃

Nitrogen trifluoride

¹A₁

C_3v

592

NCl₃

nitrogen trichloride

¹A₁

C_3v

593

NBr₃

Nitrogen Tribromide

¹A₁

C_3v

594

HClO₃

Chloric Acid

¹A^'

C_s

595

HClO₃

Chloric Acid

¹A

C₁

596

CHF₃

Methane, trifluoro-

¹A₁

C_3v

597

SiHF₃

trifluorosilane

598

CHCl₃

Chloroform

¹A₁

C_3v

599

CHBrF₂

Methane, bromodifluoro-

¹A^'

C_s

600

CHFClBr

fluorochlorobromomethane

¹A

C₁

601

CHBrCl₂

Methane, bromodichloro-

¹A^'

C_s

602

CHBr₂F

dibromofluoromethane

603

NF₃H⁺

protonated nitrogen trifluoride

¹A₁

C_3v

604

AsF₃H⁺

Arsenic trifluoride, protonated

605

C₂H₂ClF

1-chloro-1-fluoroethylene

¹A^'

C_s

606

CHFCHCl

(E)-1-chloro-2-fluoroethene

¹A^'

C_s

607

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

¹A^'

C_s

608

CHBrCHBr

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

609

CHBrCHBr

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

610

C₂H₄F₂

1,2-difluoroethane

¹A_g

C2H anti

611

C₂H₄F₂

1,2-difluoroethane

¹A

C2 gauche

612

CH₃CHF₂

Ethane, 1,1-difluoro-

¹A^'

C_s

613

CH₂BrCH₂Cl

1-bromo-2-chloroethane

614

CH₂BrCH₂Cl

1-bromo-2-chloroethane

615

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

¹A_g

C_2h

616

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

¹A

C₂

617

CH₂CHCH₂F

Allyl Fluoride

618

CH₂CHCH₂F

Allyl Fluoride

619

CH₃CHCHF

trans-1-Fluoro-1-propene

620

CH₂FCH₂OH

2-fluoroethanol

621

CH₂FCH₂CH₃

1-Fluoropropane

¹A^'

C_s

622

CH₂FCH₂CH₃

1-Fluoropropane

623

CH₃CHFCH₃

2-Fluoropropane

¹A^'

C_s

624

CH₃CHClCH₃

Propane, 2-chloro-

¹A^'

C_s

625

B₅H₉

pentaborane9

626

C₅H₄

pentatetraene

627

C₅H₆

Propellane

¹A₁

D_3h

628

C₅H₈

Bicyclo[1.1.1]pentane

629

C₃H₄N₂

2H-Imidazole

¹A₁

C_2v

630

C₄H₅N

Pyrrole

¹A₁

C_2v

631

C₄H₆N⁺

pyrrole, beta-protonated

¹A^'

C_s

632

C₃O₂

Carbon suboxide

¹Σ_G

D_∞h

633

B₂O₃

diboron trioxide

634

B₂O₃

diboron trioxide

635

CHOOCHO

diformyl ether

636

C₃H₃NO

Isoxazole

¹A^'

C_s

637

C₃H₃NS

Thiazole

638

C₄H₄O

Furan

¹A₁

C₂

639

CH₃COCCH

3-butyn-2-one

¹A^'

C_s

640

C₄H₄Se

selenophene

641

CH₃SO₂NH₂

methanesulfonamide

¹A^'

C_s

642

CH₂CHSCHCH₂

Divinyl sulfide

643

HCOOC₂H₅

Ethyl formate

¹A^'

C_s

644

C₂H₆O₂S

Dimethyl sulfone

¹A₁

C_2v

645

C₄H₈S

Thiophene, tetrahydro-

¹A

C₁

646

C₄H₁₀O

Ethoxy ethane

¹A₁

C_2v

647

C₄H₁₀O

Methyl propyl ether

¹A

C₁

648

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

¹A^'

C_s

649

C₄H₉SH

1-Butanethiol

650

CF₃Cl

Methane, chlorotrifluoro-

¹A₁

C_3v

651

CF₂Cl₂

difluorodichloromethane

¹A₁

C_2v

652

CF₃Br

Bromotrifluoromethane

¹A₁

C_3v

653

GeF₄

Germanium tetrafluoride

¹A₁

T_d

654

CCl₄

Carbon tetrachloride

¹A₁

T_d

655

CBrCl₂F

bromodichlorofluoromethane

656

CBr₂ClF

dibromochlorofluoromethane

657

CBr₂Cl₂

dibromodichloromethane

¹A₁

C_2v

658

CBr₃Cl

tribromochloromethane

¹A₁

C_3v

659

CBr₄

Carbon tetrabromide

¹A₁

T_d

660

SiBr₄

Silicon tetrabromide

¹A₁

T_d

661

GeBr₄

Germanium tetrabromide

662

SF₄

Sulfur tetrafluoride

¹A₁

C_2v

663

SeF₄

Selenium tetrafluoride

664

SCl₄

Sulfur tetrachloride

665

CH₂ClCCCl

1,3-dichloropropyne

666

CHCl₂CCH

3,3-dichloropropyne

667

CHCl₂CHO

dichloroacetaldehyde

668

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

¹A

C₁

669

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

¹A^'

C_s

670

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

671

CH₂FCH₂CH₂F

1,3-difluoropropane

672

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

¹A₁

C_2v

673

C₂H₂N₂O

Furazan

674

NH₃BF₃

Amminetrifluoroboron

¹A₁

C_3v

675

C₆H₆

Prismane

676

C₆H₆

1,2,4,5-Hexatetraene

¹A_g

C_2h

677

C₆H₆

Benzene

¹A_1g

D_6h

678

C₆H₆

Benzvalene

¹A₁

C_2v

679

C₆H₆

Dewar Benzene

680

C₆H₇⁺

benzene, protonated

¹A₁

C_2v

681

N₃P₃

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

682

MgSO₄

Magnesium Sulfate

¹A₁

C_2v

683

N₂O₄

Dinitrogen tetroxide

¹A_g

D_2d

684

C₃H₂O₃

vinylene carbonate

685

C₂H₄O₄

Formic acid dimer

¹A_G

C_2h

686

C₅H₆O

2H-Pyran

687

C₅H₆O

Pentadienal

688

C₄H₆O₂

γ–Butyrolactone

¹A

C₁

689

C₃H₆O₃

1,3,5-Trioxane

¹A₁

C₁

690

C₃H₆S₃

1,3,5-Trithiane

¹A₁

C_3v

691

C₄H₈O₂

Ethyl acetate

¹A^'

C_s

692

C₅H₁₀O

3-Pentanone

¹A₁

C_2v

693

C₄F₂

difluorobutadiyne

694

ClCOClCO

Oxalyl chloride

¹A_G

C_2h

695

C₂ClF₃

Ethene, chlorotrifluoro-

696

C₂Br₄

tetrabromoethene

697

SiF₅^-

silicon pentafluoride anion

698

PF₅

Phosphorus pentafluoride

¹A₁^'

D_3h

699

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

700

CHCl₂CHCl₂

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

701

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

702

C₄H₈O₂

Butanoic acid

¹A

C₁

703

C₇H₇

cycloheptatrienyl radical

²A₂

C_2v

704

C₇H₇⁺

cycloheptatrienyl cation

¹A₁^'

D_7h

705

CH(CN)₃

tricyanomethane

706

HN=C=C(CN)₂

Dicyanoketenimine

707

C₅H₄O₂

furfural

¹A^'

OCCO cis

708

C₅H₄O₂

furfural

¹A^'

OCCO trans

709

C₇H₁₀

Norbornene

710

C₆H₁₂O

Oxepane

711

F₂CCCF₂

tetrafluoroallene

712

SF₆

Sulfur Hexafluoride

¹A_1G

O_h

713

CF₃CHF₂

pentafluoroethane

¹A^'

C_s

714

C₈H₈

cubane

¹A_1G

O_h

715

S₄N₄

Tetrasulfur tetranitride

716

C₆H₅CHO

benzaldehyde

¹A^'

C_s

717

C₂Cl₆

hexachloroethane

¹A_1g

D_3d

718

C₆H₄F₂

1,4-difluorobenzene

¹A_g

D_2h

719

C₆H₄Cl₂

1,4-dichlorobenzene

720

C₆H₅NO

nitrosobenzene

¹A^'

C_s

721

C₃F₆

hexafluoropropene

722

C₈H₁₈O

1-Octanol

723

C₁₀H₁₀

bullvalene

724

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

725

S₂F₁₀

disulphur decafluoride

726

C₁₃H₁₀

Fluorene

727

C₁₄H₁₄

Bibenzyl

¹A

C₂

728

C₆H₅COC₆H₅

benzophenone

¹A

C₂

729

C₁₉H₁₆

Triphenylmethane

¹A

C₃

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 hydride	kh
28	KH⁺	Potassium hydrogen cation	kh+
29	CuH	Copper monohydride	cuh
30	Be	Beryllium atom	be
31	Be^-	Beryllium atom anion	be-
32	Be⁺	Beryllium atom cation	be+
33	Mg	Magnesium atom	mg
34	Mg^-	Magnesium atom anion	mg-
35	Mg⁺	Magnesium atom cation	mg+
36	Ca	Calcium atom	ca
37	Ca^-	Calcium atom anion	ca-
38	Ca⁺	Calcium atom cation	ca+
39	Zn	Zinc atom	zn
40	Zn^-	Zinc atom anion	zn-
41	Zn⁺	Zinc atom cation	zn+
42	BeH	beryllium monohydride	beh
43	BeH^-	berylium monohydride anion	beh-
44	BeH⁺	beryllium monohydride cation	beh+
45	MgH^-	magnesium monohydride anion	mgh-
46	MgH⁺	magnesium monohydride cation	mgh+
47	CaH	Calcium monohydride	cah
48	CaH⁺	Calcium monohydride cation	cah+
49	TiH	Titanium monohydride	tih
50	ZnH	Zinc monohydride	znh
51	BeH₂	beryllium dihydride	beh2
52	CaH₂	Calcium Hydride	cah2
53	ZnH₂	Zinc hydride	znh2
54	B	Boron atom	b
55	B^-	Boron atom anion	b-
56	B⁺	Boron atom cation	b+
57	Al	Aluminum atom	al
58	Sc	Scandium atom	sc
59	Sc⁺	Scandium cation	sc+
60	BH	Boron monohydride	bh
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	ScH⁺	Scandium monohydride cation	sch+
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	alh3
77	AlH₃⁺	aluminum trihydride cation	alh3+
78	ScH₃	Scandium trihydride	sch3
79	GaH₃	Gallium trihydride	gah3
80	BH₄	borohydride	bh4
81	AlH₄^-	Aluminum tetrahydride anion	alh4-
82	C^-	Carbon atom anion	c-
83	C⁺	Carbon atom cation	c+
84	Si	Silicon atom	si
85	Si⁺	Silicon atom cation	si+
86	Ti	Titanium atom	ti
87	Ti^-	Titanium atom anion	ti-
88	Ti⁺	Titanium atom cation	ti+
89	Sn	Tin atom	sn
90	Sn⁺	Tin cation	sn+
91	CH^-	methylidyne anion	ch-
92	CH⁺	Methylidyne cation	ch+
93	SiH^-	silicon monohydride anion	sih-
94	SiH⁺	silicon monohydride cation	sih+
95	GeH⁺	Germaniun monohyrdide cation	geh+
96	CH₂	Methylene	ch2
97	CH₂⁺	methylene cation	ch2+
98	SiH₂	silicon dihydride	sih2
99	SiH₂^-	silicon dihydride anion	sih2-
100	SiH₂⁺	silicon dihydride cation	sih2+
101	GeH₂^-	germylene anion	geh2-
102	CH₃^-	methyl anion	ch3-
103	CH₃⁺	methyl cation	ch3+
104	SiH₃^-	Silyl anion	sih3-
105	CD₄	methane-d4	cd4
106	CH₂D₂	methane-d2	ch2d2
107	CH₃D	methane-d	ch3d
108	CH₄^-	Methane anion	ch4-
109	CH₄⁺	Methane cation	ch4+
110	CHD₃	methane-d3	chd3
111	SiH₄⁺	Silane cation	sih4+
112	SnH₄	Stannane	snh4
113	N^-	Nitrogen atom anion	n-
114	N⁺	Nitrogen atom cation	n+
115	P^-	Phosphorus atom anion	p-
116	P⁺	Phosphorus atom cation	p+
117	V	Vanadium atom	v
118	Sb	Antimony atom	sb
119	NH	Imidogen	nh
120	NH^-	Imidogen anion	nh-
121	NH⁺	imidogen cation	nh+
122	PH^-	phosphorus monohydride anion	ph-
123	PH⁺	phosphorus monohydride cation	ph+
124	AsH⁺	Arsenic monohydride cation	ash+
125	SbH	Antimony monohydride	sbh
126	ND₂	Amidogen-d2	nd2
127	NH₂^-	amino anion	nh2-
128	PH₂	Phosphino radical	ph2
129	PH₂^-	Phosphino anion	ph2-
130	PH₂⁺	Phosphino cation	ph2+
131	AsH₂	Arsenic dihydride	ash2
132	AsH₂⁺	Arsenic dihydride cation	ash2+
133	ND₃	Ammonia-d3	nd3
134	NH₃^-	Ammonia anion	nh3-
135	NH₃⁺	ammonia cation	nh3+
136	SbH₃	Stibine	sbh3
137	O^-	Oxygen atom anion	o-
138	O⁺	Oxygen atom cation	o+
139	S	Sulfur atom	s
140	S^-	Sulfur atom anion	s-
141	S⁺	Sulfur atom cation	s+
142	Cr	Chromium atom	cr
143	Te	Tellurium atom	te
144	Te⁺	Tellurium atom cation	te+
145	DO	Hydroxyl-d	od
146	DS	Mercapto-d	ds
147	HS	Mercapto radical	hs
148	TeH	Telluryl radical	teh
149	D₂O	Deuterium oxide	d2o
150	D₂S	Hydrogen sulfide-d2	d2s
151	H₂S^-	Hydrogen sulfide anion	h2s-
152	H₂Te	Hydrogen Telluride	h2te
153	Mn	Manganese atom	mn
154	I	Iodine atom	iodine
155	I^-	Iodine atom anion	iodine-
156	I⁺	Iodine atom cation	iodine+
157	DF	Hydrofluoric acid-d	df
158	DCl	Hydrochloric acid-d	dcl
159	HI	Hydrogen iodide	hi
160	HI⁺	Hydrogen iodide cation	hi+
161	H₂F⁺	dihydrogen fluoride cation	h2f+
162	H₂I⁺	Iodonium	h2i+
163	Ne	Neon atom	ne
164	Ne^-	Neon atom anion	ne-
165	Ne⁺	Neon atom cation	ne+
166	Ar	Argon atom	ar
167	Ar^-	Argon atom anion	ar-
168	Ar⁺	Argon atom cation	ar+
169	Fe	Iron atom	fe
170	Xe	Xenon atom	xe
171	NeH	neon hydrogen	neh
172	NeH⁺	neon hydrogen cation	neh+
173	XeH⁺	Xenon, protonated	xeh+
174	H₂Ar	H2 Ar dimer	h2ar
175	Co	Cobalt atom	cobalt
176	Ni	Nickel atom	ni
177	Li₂	Lithium diatomic	li2
178	Li₂^-	lithium diatomic anion	li2-
179	Li₂⁺	lithium diatomic cation	li2+
180	NaLi^-	lithium sodium anion	lina-
181	NaLi⁺	lithium sodium cation	lina+
182	LiK	Lithium Potassium	lik
183	NaK	Sodium Potassium	nak
184	NaK⁺	Sodium Potassium diatomic cation	nak+
185	K₂	Potassium diatomic	k2
186	Cu₂	Copper diatomic	cu2
187	LiBe	Lithium Beryllium	libe
188	LiMg	Lithium magnesium	limg
189	NaBe	Sodium Beryllium	nabe
190	NaMg	Sodium Magnesium	namg
191	Be₂	Beryllium diatomic	be2
192	Be₂^-	Beryllium diatomic anion	be2-
193	Be₂⁺	Beryllium diatomic cation	be2+
194	BeMg	Beryllium Magnesium	bemg
195	Mg₂	Magnesium diatomic	mg2
196	Mg₂^-	magnesium diatomic anion	mg2-
197	Mg₂⁺	magnesium diatomic cation	mg2+
198	Ca₂	Calcium diatomic	ca2
199	LiB	Lithium boride	lib
200	BeB	Beryllium monoboride	beb
201	B₂	Boron diatomic	b2
202	B₂^-	Boron diatomic anion	b2-
203	B₂⁺	Boron diatomic cation	b2+
204	BAl	Boron Aluminum	bal
205	Al₂	Aluminum diatomic	al2
206	Al₂^-	aluminum diatomic anion	al2-
207	Al₂⁺	aluminum diatomic cation	al2+
208	BGa	Boron Gallium	bga
209	AlGa	Aluminum Gallium	alga
210	Ga₂	Gallium diatomic	ga2
211	LiBH₄	Lithium borohydride	libh4
212	Al₂H₆	dialane	al2h6
213	Ga₂H₆	digallane	ga2h6
214	LiC	Lithium Carbide	lic
215	BeC	Beryllium Carbide	bec
216	BC	boron monocarbide	bc
217	BC^-	boron monocarbide anion	bc-
218	BC⁺	boron monocarbide cation	bc+
219	AlC	Aluminum carbide	alc
220	C₂	Carbon diatomic	c2
221	C₂^-	carbon diatomic anion	c2-
222	C₂⁺	carbon diatomic cation	c2+
223	SiC	silicon monocarbide	sic
224	SiC^-	silicon monocarbide anion	sic-
225	SiC⁺	silicon monocarbide cation	sic+
226	Si₂	Silicon diatomic	si2
227	Si₂^-	silcon diatomic anion	si2-
228	Si₂⁺	silcon diatomic cation	si2+
229	Ge₂	Germanium diatomic	ge2
230	C₂H⁺	Ethynyl cation	c2h+
231	ZnCH₂	Zinc methylene	znch2
232	CCH₂	vinylidene	vinylidene
233	CuCH₃	monomethyl copper	cuch3
234	ZnCH₃	Zinc monomethyl	znch3
235	CH₂BH	methyleneborane	ch2bh
236	C₂H₃^-	vinyl anion	c2h3-
237	C₂H₄^-	Ethylene anion	c2h4-
238	CH₃CH	methylmethylene	ch3ch
239	CH₂SiH₂	silaethylene	ch2sih2
240	CH₃BH₂	methylborane	ch3bh2
241	C₂H₅^-	Ethyl anion	c2h5-
242	C₂H₅⁺	Ethyl cation	c2h5+
243	C₂H₆⁺	ethane cation	c2h6+
244	CH₃SiH₃	methyl silane	ch3sih3
245	GeH₃CH₃	methyl germane	geh3ch3
246	C₂H₇⁺	Ethane, protonated	c2h7+
247	LiN⁺	Lithium Nitride cation	lin+
248	BeN	Beryllium mononitride	ben
249	BeN^-	Beryllium mononitride anion	ben-
250	BeN⁺	Beryllium mononitride cation	ben+
251	BN^-	boron nitride anion	bn-
252	AlN^-	aluminum mononitride anion	aln-
253	AlN⁺	aluminum mononitride cation	aln+
254	BP	Boron monophosphide	bp
255	AlP	Aluminum monophosphide	alp
256	GaN	Gallium mononitride	gan
257	GaP	Gallium monophosphide	gap
258	BN	boron nitride	bn
259	BN⁺	boron nitride cation	bn+
260	AlN	Aluminum nitride	aln
261	CN^-	cyanide anion	cn-
262	CN⁺	Cyano cation	cn+
263	CP	Carbon monophosphide	cp
264	CP^-	carbon monophosphide anion	cp-
265	CP⁺	carbon monophosphide cation	cp+
266	SiN	Silicon nitride	sin
267	SiN^-	silicon mononitride anion	sin-
268	SiN⁺	silicon mononitride cation	sin+
269	SiP^-	Silicon monophosphide anion	sip-
270	SiP⁺	Silicon monophosphide cation	sip+
271	TiN	Titanium mononitride	tin
272	N₂⁺	diatomic nitrogen cation	n2+
273	PN^-	phosphorus nitride anion	pn-
274	PN⁺	phosphorus nitride cation	pn+
275	P₂	Phosphorus diatomic	p2
276	P₂^-	phosphorus diatomic anion	p2-
277	P₂⁺	phosphorus diatomic cation	p2+
278	AsN	Arsenic mononitride	asn
279	AsP	Arsenic monophosphide	asp
280	SbN	Antimony nitride	sbn
281	As₂	Arsenic diatomic	as2
282	HNB	hydrogen nitrogen boron	hnb
283	HNC	hydrogen isocyanide	hnc
284	HCN^-	Hydrogen cyanide anion	hcn-
285	HCP	Phosphaethyne	hcp
286	NNH	Dinitrogen monohydride	nnh
287	HPO	Hydrogen phosphorus oxide	hpo
288	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
289	CNH₂	Aminomethylidyne radical	cnh2
290	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
291	H₂CN	Dihydrogen cyanide radical	h2cn
292	H₂CN⁺	hydrocyanonium cation	h2cn+
293	HCNH	methyleneazane	hcnh
294	HCNH⁺	N-protonated HCN	hcnh+
295	N₂H₂	(E)-diazene	n2h2
296	N₂H₂	(Z)-Diazene	n2h2z
297	CH₂PH	Phosphaethene	ch3p
298	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
299	N₂H₄⁺	hydrazine cation	n2h4+
300	P₂H₄	Diphosphine	p2h4
301	CH₃NH₂⁺	methyl amine cation	ch3nh2+
302	CH₃PH₂	Methyl phosphine	ch3ph2
303	CH₃NH₃⁺	protonated methylamine	ch3nh3+
304	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
305	NH₃NH₃	Ammonia Dimer	nh3nh3
306	LiO	lithium oxide	lio
307	LiO^-	lithium oxide anion	lio-
308	LiO⁺	lithium oxide cation	lio+
309	LiS	Lithium monosulfide	lis
310	LiS⁺	Lithium sulfide cation	lis+
311	NaO	sodium monoxide	nao
312	NaO^-	sodium oxide anion	nao-
313	NaO⁺	sodium oxide cation	nao+
314	KO	Potassium monoxide	ko
315	KO⁺	Potassium monoxide cation	ko+
316	NaS	Sodium sulfide	nas
317	CuO	Copper Monoxide	cuo
318	BeO	beryllium oxide	beo
319	BeO^-	Beryllium monoxide anion	beo-
320	BeO⁺	Beryllium monoxide cation	beo+
321	BeS	beryllium sulfide	bes
322	MgO	magnesium oxide	mgo
323	MgO^-	magnesium oxide anion	mgo-
324	MgO⁺	magnesium oxide cation	mgo+
325	MgS	magnesium sulfide	mgs
326	MgS^-	magnesium sulfide anion	mgs-
327	MgS⁺	magnesium sulfide cation	mgs+
328	ZnO	zinc monoxide	zno
329	ZnS	Zinc sulfide	zns
330	BeS^-	Beryllium monosulfide anion	bes-
331	BeS⁺	Beryllium monosulfide cation	bes+
332	BO^-	boron monoxide anion	bo-
333	AlO	Aluminum monoxide	alo
334	AlO^-	Aluminum monoxide anion	alo-
335	AlO⁺	aluminum monoxide cation	alo+
336	BS	boron sulfide	bs
337	BS^-	boron monosulfide anion	bs-
338	BS⁺	boron monosulfide cation	bs+
339	AlS	Aluminum sulfide	als
340	AlS^-	aluminum monosulfide anion	als-
341	AlS⁺	aluminum monosulfide cation	als+
342	ScO	Scandium monoxide	sco
343	BO⁺	boron monoxide cation	bo+
344	CS	carbon monosulfide	cs
345	CS^-	carbon monosulfide anion	cs-
346	CS⁺	carbon monosulfide cation	cs+
347	SiO^-	silicon monoxide anion	sio-
348	SiO⁺	silicon monoxide cation	sio+
349	SiS^-	silicon monosulfide anion	sis-
350	SiS⁺	silicon monosulfide cation	sis+
351	TiO	Titanium monoxide	tio
352	CSe^-	Carbon monoselenide anion	cse-
353	CSe⁺	Carbon monoselenide cation	cse+
354	GeO⁺	Germanium monoxide cation	geo+
355	GeS	Germanium monosulfide	ges
356	NS	Mononitrogen monosulfide	ns
357	NS^-	nitrogen sulfide anion	ns-
358	NS⁺	nitrogen sulfide cation	ns+
359	PO^-	phosphorus monoxide anion	po-
360	PO⁺	phosphorus monoxide cation	po+
361	PS^-	phosphorus monosulfide anion	ps-
362	PS⁺	phosphorus monosulfide cation	ps+
363	VO	Vanadium monoxide	vo
364	AsO	Arsenic monoxide	aso
365	O₂⁺	diatomic oxygen cation	o2+
366	SO^-	sulfur monoxide anion	so-
367	S₂^-	sulfur diatomic anion	s2-
368	S₂⁺	sulfur diatomic cation	s2+
369	SeO^-	selenium monoxide anion	seo-
370	SeO⁺	selenium monoxide cation	seo+
371	SeS	Selenium monosulfide	ses
372	SeS^-	selenium monosulfide anion	ses-
373	SeS⁺	selenium monosulfide cation	ses+
374	TeO	Tellurium monoxide	teo
375	Se₂^-	selenium diatomic anion	se2-
376	Se₂⁺	selenium diatomic cation	se2+
377	Te₂	Tellurium diatomic	te2
378	NaOH	sodium hydroxide	naoh
379	KOH	Potassium hydroxide	koh
380	MgOH	magnesium hydroxide	mgoh
381	CaOH	Calcium monohydroxide	caoh
382	COH⁺	Carbon Monoxide, protonated	coh+
383	HCS	Thioformyl radical	hcs
384	HCS^-	Thioformyl anion	hcs-
385	HCS⁺	Thioformyl cation	hcs+
386	HNO^-	Nitrosyl hydride anion	hno-
387	NOH	Hydroxyimidogen	noh
388	NOH⁺	O-protonated nitric oxide	noh+
389	HNS	Sulfur imide	hns
390	HNS^-	Sulfur imide anion	hns-
391	HO₂	Hydroperoxy radical	ho2
392	HO₂^-	Hydroperoxy anion	ho2-
393	HS₂	Thiosulfeno radical	hs2
394	HOCH	hydroxycarbene	hoch
395	H₂NO	nitroxide	h2no
396	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
397	CH₂OH	Hydroxymethyl radical	ch2oh
398	CH₃O	Methoxy radical	ch3o
399	CH₃O⁺	Methoxy cation	ch3o+
400	CH₃S	thiomethoxy	ch3s
401	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
402	NH₃O	Ammonia Oxide	nh3o
403	H₂POH	Phosphinous acid	h2poh
404	H₃PO	Phosphine oxide	h3po
405	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
406	CH₃OH^-	Methyl alcohol anion	ch3oh-
407	CH₃SH⁺	Methanethiol cation	ch3sh+
408	CH₃SeH	Methane selenol	ch3seh
409	H₂OH₂O	water dimer	h2oh2o
410	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
411	H₂ONH₃	Water Ammonia Dimer	h2onh3
412	LiCl^-	lithium chloride anion	licl-
413	LiCl⁺	lithium chloride cation	licl+
414	NaF	sodium fluoride	naf
415	NaF^-	sodium fluoride anion	naf-
416	KF	Potassium Fluoride	kf
417	NaCl	Sodium Chloride	nacl
418	NaCl^-	sodium chloride anion	nacl-
419	NaCl⁺	sodium chloride cation	nacl+
420	KCl	Potassium Chloride	kcl
421	CuF	Copper monofluoride	cuf
422	LiBr^-	lithium bromide anion	libr-
423	LiBr⁺	lithium bromide cation	libr+
424	CuCl	Copper monochloride	cucl
425	NaBr	Sodium Bromide	nabr
426	NaBr^-	sodium bromide anion	nabr-
427	NaBr⁺	sodium bromide cation	nabr+
428	KBr	Potassium Bromide	kbr
429	LiI	Lithium Iodide	lii
430	NaI	Sodium Iodide	nai
431	KI	Potassium Iodide	ki
432	LiF^-	lithium fluoride anion	lif-
433	BeF	Beryllium monofluoride	bef
434	BeF^-	Beryllium monofluoride anion	bef-
435	BeF⁺	Beryllium monofluoride cation	bef+
436	BeCl	beryllium monochloride	becl
437	MgF	Magnesium monofluoride	mgf
438	MgF^-	magnesium fluoride anion	mgf-
439	MgF⁺	magnesium fluoride cation	mgf+
440	CaF	Calcium monofluoride	caf
441	MgCl	magnesium monochloride	mgcl
442	MgCl^-	magnesium monochloride anion	mgcl-
443	MgCl⁺	magnesium monochloride cation	mgcl+
444	CaCl	calcium monochloride	cacl
445	TiCl	Titanium Monochloride	ticl
446	ZnF	Zinc monofluoride	znf
447	ZnF^-	Zinc monofluoride anion	znf-
448	ZnF⁺	Zinc monofluoride cation	znf+
449	ZnCl	Zinc monochloride	zncl
450	BeCl^-	beryllium monochloride anion	becl-
451	BeCl⁺	beryllium monochloride cation	becl+
452	BF^-	Boron monofluoride anion	bf-
453	BF⁺	Boron monofluoride cation	bf+
454	AlF^-	Aluminum monofluoride anion	alf-
455	AlF⁺	Aluminum monofluoride cation	alf+
456	BCl	boron monochloride	bcl
457	BCl^-	boron monochloride anion	bcl-
458	BCl⁺	boron monochloride cation	bcl+
459	AlCl	Aluminum monochloride	alcl
460	AlCl^-	aluminum monochloride anion	alcl-
461	AlCl⁺	aluminum monochloride cation	alcl+
462	ScF	Scandium monofluoride	scf
463	BBr	Boron monobromide	bbr
464	GaF⁺	Gallium monofluoride cation	gaf+
465	GaCl⁺	Gallium monochloride cation	gacl+
466	AlI	Aluminum monoiodide	ali
467	CF^-	carbon monofluoride anion	cf-
468	CF⁺	carbon monofluoride cation	cf+
469	CCl	carbon monochloride	ccl
470	CCl^-	carbon monochloride anion	ccl-
471	CCl⁺	carbon monochloride cation	ccl+
472	SiF	silicon monofluoride	sif
473	SiF^-	silicon monofluoride anion	sif-
474	SiF⁺	silicon monofluoride cation	sif+
475	SiCl^-	silicon monochloride anion	sicl-
476	SiCl⁺	silicon monochloride cation	sicl+
477	NF	nitrogen fluoride	nf
478	NF^-	nitrogen monofluorine anion	nf-
479	NF⁺	nitrogen monofluoirde cation	nf+
480	NCl^-	nitrogen monochloride anion	ncl-
481	NCl⁺	nitrogen monochloride cation	ncl+
482	PF	phosphorus monofluoride	pf
483	PF^-	phosphorus monofluoride anion	pf-
484	PF⁺	phosphorus monofluoride cation	pf+
485	PCl	phosphorus chloride	pcl
486	PCl^-	phosphorus monochloride anion	pcl-
487	PCl⁺	phosphorus monochloride cation	pcl+
488	AsF	Arsenic monofluoride	asf
489	NBr	nitrogen monobromide	nbr
490	SbF	Antimony monofluoride	sbf
491	SbCl	Antimony monochloride	sbcl
492	FO	Oxygen monofluoride	fo
493	FO^-	flourine oxide anion	fo-
494	FO⁺	fluorine monoxide cation	fo+
495	ClO^-	chlorine monoxide anion	clo-
496	SF^-	sulfur monofluoride anion	sf-
497	SCl	sulfur monochloride	scl
498	SCl^-	sulfur monochloride anion	scl-
499	BrO^-	Bromine monoxide anion	bro-
500	SeF	Selenium monofluoride	sef

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+

Potassium hydride

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

Aluminum atom

Scandium atom

Sc⁺

Scandium cation

sc+

Boron monohydride

BH^-

boron monohydride anion

bh-

BH⁺

boron monohydride cation

bh+

AlH

aluminum monohydride

alh

AlH^-

aluminum monohydride anion

alh-

AlH⁺

aluminum monohydride cation

alh+

ScH

Scandium monohydride

sch

ScH⁺

Scandium monohydride cation

sch+

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

alh3

AlH₃⁺

aluminum trihydride cation

alh3+

ScH₃

Scandium trihydride

sch3

GaH₃

Gallium trihydride

gah3

BH₄

borohydride

bh4

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+

Tin atom

Sn⁺

Tin cation

sn+

CH^-

methylidyne anion

ch-

CH⁺

Methylidyne cation

ch+

SiH^-

silicon monohydride anion

sih-

SiH⁺

silicon monohydride cation

sih+

GeH⁺

Germaniun monohyrdide cation

geh+

CH₂

Methylene

ch2

CH₂⁺

methylene cation

ch2+

SiH₂

silicon dihydride

sih2

SiH₂^-

silicon dihydride anion

sih2-

100

SiH₂⁺

silicon dihydride cation

sih2+

101

GeH₂^-

germylene anion

geh2-

102

CH₃^-

methyl anion

ch3-

103

CH₃⁺

methyl cation

ch3+

104

SiH₃^-

Silyl anion

sih3-

105

CD₄

methane-d4

cd4

106

CH₂D₂

methane-d2

ch2d2

107

CH₃D

methane-d

ch3d

108

CH₄^-

Methane anion

ch4-

109

CH₄⁺

Methane cation

ch4+

110

CHD₃

methane-d3

chd3

111

SiH₄⁺

Silane cation

sih4+

112

SnH₄

Stannane

snh4

113

N^-

Nitrogen atom anion

114

N⁺

Nitrogen atom cation

115

P^-

Phosphorus atom anion

116

P⁺

Phosphorus atom cation

117

Vanadium atom

118

Antimony atom

119

Imidogen

120

NH^-

Imidogen anion

nh-

121

NH⁺

imidogen cation

nh+

122

PH^-

phosphorus monohydride anion

ph-

123

PH⁺

phosphorus monohydride cation

ph+

124

AsH⁺

Arsenic monohydride cation

ash+

125

SbH

Antimony monohydride

sbh

126

ND₂

Amidogen-d2

nd2

127

NH₂^-

amino anion

nh2-

128

PH₂

Phosphino radical

ph2

129

PH₂^-

Phosphino anion

ph2-

130

PH₂⁺

Phosphino cation

ph2+

131

AsH₂

Arsenic dihydride

ash2

132

AsH₂⁺

Arsenic dihydride cation

ash2+

133

ND₃

Ammonia-d3

nd3

134

NH₃^-

Ammonia anion

nh3-

135

NH₃⁺

ammonia cation

nh3+

136

SbH₃

Stibine

sbh3

137

O^-

Oxygen atom anion

138

O⁺

Oxygen atom cation

139

Sulfur atom

140

S^-

Sulfur atom anion

141

S⁺

Sulfur atom cation

142

Chromium atom

143

Tellurium atom

144

Te⁺

Tellurium atom cation

te+

145

Hydroxyl-d

146

Mercapto-d

147

Mercapto radical

148

TeH

Telluryl radical

teh

149

D₂O

Deuterium oxide

d2o

150

D₂S

Hydrogen sulfide-d2

d2s

151

H₂S^-

Hydrogen sulfide anion

h2s-

152

H₂Te

Hydrogen Telluride

h2te

153

Manganese atom

154

Iodine atom

iodine

155

I^-

Iodine atom anion

iodine-

156

I⁺

Iodine atom cation

iodine+

157

Hydrofluoric acid-d

158

DCl

Hydrochloric acid-d

dcl

159

Hydrogen iodide

160

HI⁺

Hydrogen iodide cation

hi+

161

H₂F⁺

dihydrogen fluoride cation

h2f+

162

H₂I⁺

Iodonium

h2i+

163

Neon atom

164

Ne^-

Neon atom anion

ne-

165

Ne⁺

Neon atom cation

ne+

166

Argon atom

167

Ar^-

Argon atom anion

ar-

168

Ar⁺

Argon atom cation

ar+

169

Iron atom

170

Xenon atom

171

NeH

neon hydrogen

neh

172

NeH⁺

neon hydrogen cation

neh+

173

XeH⁺

Xenon, protonated

xeh+

174

H₂Ar

H2 Ar dimer

h2ar

175

Cobalt atom

cobalt

176

Nickel atom

177

Li₂

Lithium diatomic

li2

178

Li₂^-

lithium diatomic anion

li2-

179

Li₂⁺

lithium diatomic cation

li2+

180

NaLi^-

lithium sodium anion

lina-

181

NaLi⁺

lithium sodium cation

lina+

182

LiK

Lithium Potassium

lik

183

NaK

Sodium Potassium

nak

184

NaK⁺

Sodium Potassium diatomic cation

nak+

185

K₂

Potassium diatomic

186

Cu₂

Copper diatomic

cu2

187

LiBe

Lithium Beryllium

libe

188

LiMg

Lithium magnesium

limg

189

NaBe

Sodium Beryllium

nabe

190

NaMg

Sodium Magnesium

namg

191

Be₂

Beryllium diatomic

be2

192

Be₂^-

Beryllium diatomic anion

be2-

193

Be₂⁺

Beryllium diatomic cation

be2+

194

BeMg

Beryllium Magnesium

bemg

195

Mg₂

Magnesium diatomic

mg2

196

Mg₂^-

magnesium diatomic anion

mg2-

197

Mg₂⁺

magnesium diatomic cation

mg2+

198

Ca₂

Calcium diatomic

ca2

199

LiB

Lithium boride

lib

200

BeB

Beryllium monoboride

beb

201

B₂

Boron diatomic

202

B₂^-

Boron diatomic anion

b2-

203

B₂⁺

Boron diatomic cation

b2+

204

BAl

Boron Aluminum

bal

205

Al₂

Aluminum diatomic

al2

206

Al₂^-

aluminum diatomic anion

al2-

207

Al₂⁺

aluminum diatomic cation

al2+

208

BGa

Boron Gallium

bga

209

AlGa

Aluminum Gallium

alga

210

Ga₂

Gallium diatomic

ga2

211

LiBH₄

Lithium borohydride

libh4

212

Al₂H₆

dialane

al2h6

213

Ga₂H₆

digallane

ga2h6

214

LiC

Lithium Carbide

lic

215

BeC

Beryllium Carbide

bec

216

boron monocarbide

217

BC^-

boron monocarbide anion

bc-

218

BC⁺

boron monocarbide cation

bc+

219

AlC

Aluminum carbide

alc

220

C₂

Carbon diatomic

221

C₂^-

carbon diatomic anion

c2-

222

C₂⁺

carbon diatomic cation

c2+

223

SiC

silicon monocarbide

sic

224

SiC^-

silicon monocarbide anion

sic-

225

SiC⁺

silicon monocarbide cation

sic+

226

Si₂

Silicon diatomic

si2

227

Si₂^-

silcon diatomic anion

si2-

228

Si₂⁺

silcon diatomic cation

si2+

229

Ge₂

Germanium diatomic

ge2

230

C₂H⁺

Ethynyl cation

c2h+

231

ZnCH₂

Zinc methylene

znch2

232

CCH₂

vinylidene

233

CuCH₃

monomethyl copper

cuch3

234

ZnCH₃

Zinc monomethyl

znch3

235

CH₂BH

methyleneborane

ch2bh

236

C₂H₃^-

vinyl anion

c2h3-

237

C₂H₄^-

Ethylene anion

c2h4-

238

CH₃CH

methylmethylene

ch3ch

239

CH₂SiH₂

silaethylene

ch2sih2

240

CH₃BH₂

methylborane

ch3bh2

241

C₂H₅^-

Ethyl anion

c2h5-

242

C₂H₅⁺

Ethyl cation

c2h5+

243

C₂H₆⁺

ethane cation

c2h6+

244

CH₃SiH₃

methyl silane

ch3sih3

245

GeH₃CH₃

methyl germane

geh3ch3

246

C₂H₇⁺

Ethane, protonated

c2h7+

247

LiN⁺

Lithium Nitride cation

lin+

248

BeN

Beryllium mononitride

ben

249

BeN^-

Beryllium mononitride anion

ben-

250

BeN⁺

Beryllium mononitride cation

ben+

251

BN^-

boron nitride anion

bn-

252

AlN^-

aluminum mononitride anion

aln-

253

AlN⁺

aluminum mononitride cation

aln+

254

Boron monophosphide

255

AlP

Aluminum monophosphide

alp

256

GaN

Gallium mononitride

gan

257

GaP

Gallium monophosphide

gap

258

boron nitride

259

BN⁺

boron nitride cation

bn+

260

AlN

Aluminum nitride

aln

261

CN^-

cyanide anion

cn-

262

CN⁺

Cyano cation

cn+

263

Carbon monophosphide

264

CP^-

carbon monophosphide anion

cp-

265

CP⁺

carbon monophosphide cation

cp+

266

SiN

Silicon nitride

sin

267

SiN^-

silicon mononitride anion

sin-

268

SiN⁺

silicon mononitride cation

sin+

269

SiP^-

Silicon monophosphide anion

sip-

270

SiP⁺

Silicon monophosphide cation

sip+

271

TiN

Titanium mononitride

tin

272

N₂⁺

diatomic nitrogen cation

n2+

273

PN^-

phosphorus nitride anion

pn-

274

PN⁺

phosphorus nitride cation

pn+

275

P₂

Phosphorus diatomic

276

P₂^-

phosphorus diatomic anion

p2-

277

P₂⁺

phosphorus diatomic cation

p2+

278

AsN

Arsenic mononitride

asn

279

AsP

Arsenic monophosphide

asp

280

SbN

Antimony nitride

sbn

281

As₂

Arsenic diatomic

as2

282

HNB

hydrogen nitrogen boron

hnb

283

HNC

hydrogen isocyanide

hnc

284

HCN^-

Hydrogen cyanide anion

hcn-

285

HCP

Phosphaethyne

hcp

286

NNH

Dinitrogen monohydride

nnh

287

HPO

Hydrogen phosphorus oxide

hpo

288

HPO⁺

Hydrogen phosphorus oxide cation

hpo+

289

CNH₂

Aminomethylidyne radical

cnh2

290

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

291

H₂CN

Dihydrogen cyanide radical

h2cn

292

H₂CN⁺

hydrocyanonium cation

h2cn+

293

HCNH

methyleneazane

hcnh

294

HCNH⁺

N-protonated HCN

hcnh+

295

N₂H₂

(E)-diazene

n2h2

296

N₂H₂

(Z)-Diazene

n2h2z

297

CH₂PH

Phosphaethene

ch3p

298

CH₂NH₂⁺

methyleneamine cation

ch2nh2+

299

N₂H₄⁺

hydrazine cation

n2h4+

300

P₂H₄

Diphosphine

p2h4

301

CH₃NH₂⁺

methyl amine cation

ch3nh2+

302

CH₃PH₂

Methyl phosphine

ch3ph2

303

CH₃NH₃⁺

protonated methylamine

ch3nh3+

304

CH₃PH₃⁺

methyl phosphine, protonated

ch3ph3+

305

NH₃NH₃

Ammonia Dimer

nh3nh3

306

LiO

lithium oxide

lio

307

LiO^-

lithium oxide anion

lio-

308

LiO⁺

lithium oxide cation

lio+

309

LiS

Lithium monosulfide

lis

310

LiS⁺

Lithium sulfide cation

lis+

311

NaO

sodium monoxide

nao

312

NaO^-

sodium oxide anion

nao-

313

NaO⁺

sodium oxide cation

nao+

314

Potassium monoxide

315

KO⁺

Potassium monoxide cation

ko+

316

NaS

Sodium sulfide

nas

317

CuO

Copper Monoxide

cuo

318

BeO

beryllium oxide

beo

319

BeO^-

Beryllium monoxide anion

beo-

320

BeO⁺

Beryllium monoxide cation

beo+

321

BeS

beryllium sulfide

bes

322

MgO

magnesium oxide

mgo

323

MgO^-

magnesium oxide anion

mgo-

324

MgO⁺

magnesium oxide cation

mgo+

325

MgS

magnesium sulfide

mgs

326

MgS^-

magnesium sulfide anion

mgs-

327

MgS⁺

magnesium sulfide cation

mgs+

328

ZnO

zinc monoxide

zno

329

ZnS

Zinc sulfide

zns

330

BeS^-

Beryllium monosulfide anion

bes-

331

BeS⁺

Beryllium monosulfide cation

bes+

332

BO^-

boron monoxide anion

bo-

333

AlO

Aluminum monoxide

alo

334

AlO^-

Aluminum monoxide anion

alo-

335

AlO⁺

aluminum monoxide cation

alo+

336

boron sulfide

337

BS^-

boron monosulfide anion

bs-

338

BS⁺

boron monosulfide cation

bs+

339

AlS

Aluminum sulfide

als

340

AlS^-

aluminum monosulfide anion

als-

341

AlS⁺

aluminum monosulfide cation

als+

342

ScO

Scandium monoxide

sco

343

BO⁺

boron monoxide cation

bo+

344

carbon monosulfide

345

CS^-

carbon monosulfide anion

cs-

346

CS⁺

carbon monosulfide cation

cs+

347

SiO^-

silicon monoxide anion

sio-

348

SiO⁺

silicon monoxide cation

sio+

349

SiS^-

silicon monosulfide anion

sis-

350

SiS⁺

silicon monosulfide cation

sis+

351

TiO

Titanium monoxide

tio

352

CSe^-

Carbon monoselenide anion

cse-

353

CSe⁺

Carbon monoselenide cation

cse+

354

GeO⁺

Germanium monoxide cation

geo+

355

GeS

Germanium monosulfide

ges

356

Mononitrogen monosulfide

357

NS^-

nitrogen sulfide anion

ns-

358

NS⁺

nitrogen sulfide cation

ns+

359

PO^-

phosphorus monoxide anion

po-

360

PO⁺

phosphorus monoxide cation

po+

361

PS^-

phosphorus monosulfide anion

ps-

362

PS⁺

phosphorus monosulfide cation

ps+

363

Vanadium monoxide

364

AsO

Arsenic monoxide

aso

365

O₂⁺

diatomic oxygen cation

o2+

366

SO^-

sulfur monoxide anion

so-

367

S₂^-

sulfur diatomic anion

s2-

368

S₂⁺

sulfur diatomic cation

s2+

369

SeO^-

selenium monoxide anion

seo-

370

SeO⁺

selenium monoxide cation

seo+

371

SeS

Selenium monosulfide

ses

372

SeS^-

selenium monosulfide anion

ses-

373

SeS⁺

selenium monosulfide cation

ses+

374

TeO

Tellurium monoxide

teo

375

Se₂^-

selenium diatomic anion

se2-

376

Se₂⁺

selenium diatomic cation

se2+

377

Te₂

Tellurium diatomic

te2

378

NaOH

sodium hydroxide

naoh

379

KOH

Potassium hydroxide

koh

380

MgOH

magnesium hydroxide

mgoh

381

CaOH

Calcium monohydroxide

caoh

382

COH⁺

Carbon Monoxide, protonated

coh+

383

HCS

Thioformyl radical

hcs

384

HCS^-

Thioformyl anion

hcs-

385

HCS⁺

Thioformyl cation

hcs+

386

HNO^-

Nitrosyl hydride anion

hno-

387

NOH

Hydroxyimidogen

noh

388

NOH⁺

O-protonated nitric oxide

noh+

389

HNS

Sulfur imide

hns

390

HNS^-

Sulfur imide anion

hns-

391

HO₂

Hydroperoxy radical

ho2

392

HO₂^-

Hydroperoxy anion

ho2-

393

HS₂

Thiosulfeno radical

hs2

394

HOCH

hydroxycarbene

hoch

395

H₂NO

nitroxide

h2no

396

H₂O₂⁺

Hydrogen peroxide cation

h2o2+

397

CH₂OH

Hydroxymethyl radical

ch2oh

398

CH₃O

Methoxy radical

ch3o

399

CH₃O⁺

Methoxy cation

ch3o+

400

CH₃S

thiomethoxy

ch3s

401

H₂CSH⁺

Thioformaldehyde, protonated

h2csh+

402

NH₃O

Ammonia Oxide

nh3o

403

H₂POH

Phosphinous acid

h2poh

404

H₃PO

Phosphine oxide

h3po

405

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

406

CH₃OH^-

Methyl alcohol anion

ch3oh-

407

CH₃SH⁺

Methanethiol cation

ch3sh+

408

CH₃SeH

Methane selenol

ch3seh

409

H₂OH₂O

water dimer

h2oh2o

410

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

411

H₂ONH₃

Water Ammonia Dimer

h2onh3

412

LiCl^-

lithium chloride anion

licl-

413

LiCl⁺

lithium chloride cation

licl+

414

NaF

sodium fluoride

naf

415

NaF^-

sodium fluoride anion

naf-

416

Potassium Fluoride

417

NaCl

Sodium Chloride

nacl

418

NaCl^-

sodium chloride anion

nacl-

419

NaCl⁺

sodium chloride cation

nacl+

420

KCl

Potassium Chloride

kcl

421

CuF

Copper monofluoride

cuf

422

LiBr^-

lithium bromide anion

libr-

423

LiBr⁺

lithium bromide cation

libr+

424

CuCl

Copper monochloride

cucl

425

NaBr

Sodium Bromide

nabr

426

NaBr^-

sodium bromide anion

nabr-

427

NaBr⁺

sodium bromide cation

nabr+

428

KBr

Potassium Bromide

kbr

429

LiI

Lithium Iodide

lii

430

NaI

Sodium Iodide

nai

431

Potassium Iodide

432

LiF^-

lithium fluoride anion

lif-

433

BeF

Beryllium monofluoride

bef

434

BeF^-

Beryllium monofluoride anion

bef-

435

BeF⁺

Beryllium monofluoride cation

bef+

436

BeCl

beryllium monochloride

becl

437

MgF

Magnesium monofluoride

mgf

438

MgF^-

magnesium fluoride anion

mgf-

439

MgF⁺

magnesium fluoride cation

mgf+

440

CaF

Calcium monofluoride

caf

441

MgCl

magnesium monochloride

mgcl

442

MgCl^-

magnesium monochloride anion

mgcl-

443

MgCl⁺

magnesium monochloride cation

mgcl+

444

CaCl

calcium monochloride

cacl

445

TiCl

Titanium Monochloride

ticl

446

ZnF

Zinc monofluoride

znf

447

ZnF^-

Zinc monofluoride anion

znf-

448

ZnF⁺

Zinc monofluoride cation

znf+

449

ZnCl

Zinc monochloride

zncl

450

BeCl^-

beryllium monochloride anion

becl-

451

BeCl⁺

beryllium monochloride cation

becl+

452

BF^-

Boron monofluoride anion

bf-

453

BF⁺

Boron monofluoride cation

bf+

454

AlF^-

Aluminum monofluoride anion

alf-

455

AlF⁺

Aluminum monofluoride cation

alf+

456

BCl

boron monochloride

bcl

457

BCl^-

boron monochloride anion

bcl-

458

BCl⁺

boron monochloride cation

bcl+

459

AlCl

Aluminum monochloride

alcl

460

AlCl^-

aluminum monochloride anion

alcl-

461

AlCl⁺

aluminum monochloride cation

alcl+

462

ScF

Scandium monofluoride

scf

463

BBr

Boron monobromide

bbr

464

GaF⁺

Gallium monofluoride cation

gaf+

465

GaCl⁺

Gallium monochloride cation

gacl+

466

AlI

Aluminum monoiodide

ali

467

CF^-

carbon monofluoride anion

cf-

468

CF⁺

carbon monofluoride cation

cf+

469

CCl

carbon monochloride

ccl

470

CCl^-

carbon monochloride anion

ccl-

471

CCl⁺

carbon monochloride cation

ccl+

472

SiF

silicon monofluoride

sif

473

SiF^-

silicon monofluoride anion

sif-

474

SiF⁺

silicon monofluoride cation

sif+

475

SiCl^-

silicon monochloride anion

sicl-

476

SiCl⁺

silicon monochloride cation

sicl+

477

nitrogen fluoride

478

NF^-

nitrogen monofluorine anion

nf-

479

NF⁺

nitrogen monofluoirde cation

nf+

480

NCl^-

nitrogen monochloride anion

ncl-

481

NCl⁺

nitrogen monochloride cation

ncl+

482

phosphorus monofluoride

483

PF^-

phosphorus monofluoride anion

pf-

484

PF⁺

phosphorus monofluoride cation

pf+

485

PCl

phosphorus chloride

pcl

486

PCl^-

phosphorus monochloride anion

pcl-

487

PCl⁺

phosphorus monochloride cation

pcl+

488

AsF

Arsenic monofluoride

asf

489

NBr

nitrogen monobromide

nbr

490

SbF

Antimony monofluoride

sbf

491

SbCl

Antimony monochloride

sbcl

492

Oxygen monofluoride

493

FO^-

flourine oxide anion

fo-

494

FO⁺

fluorine monoxide cation

fo+

495

ClO^-

chlorine monoxide anion

clo-

496

SF^-

sulfur monofluoride anion

sf-

497

SCl

sulfur monochloride

scl

498

SCl^-

sulfur monochloride anion

scl-

499

BrO^-

Bromine monoxide anion

bro-

500

SeF

Selenium monofluoride

sef

501

Iodine monoxide

502

ClF^-

clorine monofluoride anion

clf-

503

Cl₂

Chlorine diatomic

cl2

504

Cl₂^-

chlorine diatomic anion

cl2-

505

BrF^-

bromine fluoride anion

brf-

506

BrF⁺

bromine fluoride cation

brf+

507

BrCl^-

bromine chloride anion

brcl-

508

BrCl⁺

bromine chloride cation

brcl+

509

Iodine monofluoride

510

ICl

Iodine monochloride

icl

511

IBr

Iodine monobromide

ibr

512

I₂

Iodine diatomic

513

I₂⁺

Iodine diatomic cation

i2+

514

HCCl

Chloromethylene

hccl

515

CHBr

bromomethylene

chbr

516

DOCl

Hypochlorous acid-d

docl

517

HOBr

Hypobromous acid

hobr

518

HOBr⁺

Hypobromous acid cation

hobr+

519

HOI

Hypoiodous acid

hoi

520

FHF

Hydrogen difluoride

fhf

521

FHF^-

Hydrogen difluoride anion

fhf-

522

NH₂F

monofluoroamine

nh2f

523

H₂F₂

Hydrogen fluoride dimer

h2f2

524

CD₃F

methylfluoride-d3

cd3f

525

CD₃Cl

methyl chloride d3

cd3cl

526

CH₃I

methyl iodide

ch3i

527

SiH₃I

Silyl Iodide

sih3i

528

Ne₂

Neon diatomic

ne2

529

Ne₂⁺

Neon diatomic cation

ne2+

530

Ar₂⁺

Argon diatomic cation

ar2+

531

Li₃

Lithium trimer

li3

532

Li₃⁺

Lithium trimer cation

li3+

533

C₃⁺

carbon trimer cation

c3+

534

C₃H₃

cyclopropenyl radical

cpr

535

C₃H₃

Propargyl radical

propargyl

536

C₃H₃^-

Propargyl anion

c3h3-

537

C₃H₃⁺

cyclopropenyl cation

cpr+

538

C₃H₃⁺

Propargyl cation

c3h3+

539

C₃H₅

Allyl radical

allyl

540

C₃H₅⁺

Allyl cation

allyl+

541

CH₃CHCH

1-propenyl radical

ch3chch

542

Zn(CH₃)₂

dimethyl zinc

dmz

543

SiH₂(CH₃)₂

dimethylsilane

dms

544

NaCN

Sodium Cyanide

nacn

545

KCN

Potassium cyanide

kcn

546

CuCN

Copper cyanide

cucn

547

CN₂

3H-Diazirin-3-ylidene

cn2

548

NCN

Cyanoimidogen

ncn

549

N₃^-

azide anion

n3-

550

HCCN

cyanomethylene

hccn

551

HCNN

diazomethyl radical

hcnn

552

CH₂N₂

diazirine

ch2n2

553

CH₂NN

diazomethane

ch2nn

554

NH₂CN

cyanamide

555

CH₃CN⁺

Acetonitrile cation

ch3cn+

556

CH₃NC

methyl isocyanide

ch3nc

557

HNCNH₂⁺

diiminomethane, protonated

hncnh2+

558

NCNH₃⁺

Cyanamide, protonated

ncnh3+

559

CH₂CHNH

vinylazine

ch2chnh

560

CH₃CHN

methylmethaniminyl radical

ch3chn

561

NHCHNH₂

aminomethanimine

cn2h4

562

C₂H₅N

Aziridine

c2h5n

563

CH₂CHNH₂

aminoethene

564

CH₂NCH₃

N-methylmethanimine

nmm

565

CH₃CHNH

ethanimine

566

NH₂BHNH₂

diaminoborane

nh2bhnh2

567

C₂H₅NH⁺

Protonated Aziridine

c2h5nh+

568

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

569

CH₃NHCH₃

Dimethylamine

ch3nhch3

570

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

571

(CH₃)₂NH₂⁺

dimethylammonium cation

dmam

572

CH₃CH₂NH₃⁺

ethylamine, protonated

pea

573

Li₂O⁺

dilithium oxide cation

li2o+

574

Li₂S

dilithium sulfide

li2s

575

CCO

Dicarbon monoxide

cco

576

CNO^-

fulminate

cno-

577

NCO^-

cyanate

nco-

578

SCN

thiocyanato radical

scn

579

SCN^-

thiocyanide anion

scn-

580

BO₂

Boron dioxide

bo2

581

BO₂^-

Boron dioxide anion

bo2-

582

BO₂⁺

Boron dioxide cation

bo2+

583

N₂O^-

Nitrous oxide anion

n2o-

584

N₂O⁺

Nitrous oxide cation

n2o+

585

NNS

Nitrogen sulfide

nns

586

PPO

Phosphorus oxide phosphide

ppo

587

CO₂^-

Carbon dioxide anion

co2-

588

CO₂⁺

Carbon dioxide cation

co2+

589

OCS⁺

Carbonyl sulfide cation

cos+

590

SiO₂

silicon dioxide

sio2

591

CS₂^-

Carbon disulfide anion

cs2-

592

CS₂⁺

Carbon disulfide cation

cs2+

593

TiO₂

Titanium dioxide

tio2

594

SiS₂

Silicon disulfide

sis2

595

GeS₂

Germanium disulfide

ges2

596

CSe₂

Carbon diselenide

cse2

597

SCTe

Carbon sulfide Telluride

scte

598

NO₂^-

Nitrogen dioxide anion

no2-

599

PO₂

Phosphorus dioxide

po2

600

PO₂^-

Phosphorus dioxide anion

po2-

601

PO₂⁺

Phosphorus dioxide cation

po2+

602

AsO₂

Aresenic dioxide

aso2

603

O₃^-

Ozone anion

o3-

604

O₃⁺

Ozone cation

o3+

605

SO₂^-

Sulfur dioxide anion

so2-

606

SO₂⁺

Sulfur dioxide cation

so2+

607

S₃^-

Sulfur trimer anion

s3-

608

S₃⁺

Sulfur trimer cation

s3+

609

SeO₂⁺

Selenium dioxide cation

seo2+

610

TeO₂

Tellurium Dioxide

teo2

611

CS₂H⁺

Carbon disulfide, protonated

cs2h+

612

HNCO

Isocyanic acid

hnco

613

HOCN

cyanic acid

hocn

614

HCO₂^-

formate anion

hco2-

615

HNNO

nitrosoazane

hnno

616

HNNO⁺

Nitrous oxide, N-protonated

hnno+

617

NNOH⁺

Nitrous Oxide, O-protonated

nnoh+

618

HCOO

formate neutral radical

hcoo

619

HOCO⁺

Hydrocarboxyl cation

hoco+

620

HNO₂

Nitrous acid

hno2

621

HNO₂⁺

nitrous acid cation

hno2+

622

CH₂CO⁺

Ketene cation

ch2co+

623

HCCOH

ethynol

hccoh

624

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

625

NH₂NO

Nitrosamide

nh2no

626

CH₂O₂

Dioxirane

diox

627

H₂O₃

Hydrogen trioxide

h2o3

628

HSSSH

trisulfane

hsssh

629

NaOCH₃

Sodium methoxide

naoch3

630

CH₂BOH

hydroxy(methylene)borane

ch2boh

631

CH₃BO

Borane, methyloxo-

ch3bo

632

CH₂CHO

Vinyloxy radical

ch2cho

633

CH₃CO

Acetyl radical

ch3co

634

CH₃CO^-

Acetyl anion

ch3co-

635

CH₃CO⁺

acetyl cation

ch3co+

636

CH₂NOH

formaldoxime

ch2noh

637

CH₃NO

nitrosomethane

ch3no

638

CHONH₂

formamide

639

CNOH₃

1,2-oxaziridine

cnoh3

640

CH₂OOH

CH2OOH radical

ch2ooh

641

CH₃OO

methylperoxy radical

ch3oo

642

CH₃OO^-

methylperoxy anion

ch3oo-

643

CH₃OO⁺

methylperoxy cation

ch3oo+

644

CH₂CHOH

ethenol

ch2choh

645

H₂CONH₂⁺

protonated formamide

h2conh2+

646

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

647

CH₂(OH)₂

methanediol

ch2o2h2

648

CH₃OOH

Methyl peroxide

ch3ooh

649

H₂OH₂CO

water formaldehyde dimer

h2oh2co

650

CH₂CH₂OH

2-hydroxy ethyl radical

ch2ch2oh

651

CH₃CH₂O

Ethoxy radical

ethoxy

652

CH₃CHOH

1-hydroxy-ethyl radical

ch3choh

653

CH₃CHOH⁺

acetaldehyde, protonated

ch3choh+

654

CH₃OCH₂

methoxymethyl radical

ch3och2

655

CH₃OHH₂O

methanol water dimer

ch3ohh2o

656

H₂OCH₃OH

water methanol dimer

h2och3oh

657

CuF₂

Copper difluoride

cuf2

658

ZnF₂

Zinc difluoride

znf2

659

FCN

Cyanogen fluoride

fcn

660

ClCN

chlorocyanogen

clcn

661

ICN

Cyanogen iodide

icn

662

BeF₂

Beryllium fluoride

bef2

663

MgF₂

Magnesium fluoride

mgf2

664

BeCl₂

Beryllium chloride

becl2

665

MgCl₂

Magnesium dichloride

mgcl2

666

CaCl₂

Calcium Chloride

cacl2

667

ZnCl₂

Zinc dichloride

zncl2

668

CaF₂

Calcium difluoride

caf2

669

FCO

Carbonyl fluoride

fco

670

FCO⁺

Carbonyl fluoride cation

fco+

671

ClCO

carbonyl monochloride

clco

672

BrNO

Nitrosyl bromide

brno

673

INO

Nitrosyl iodide

ino

674

CF₂^-

Difluoromethylene anion

cf2-

675

CF₂⁺

Difluoromethylene cation

cf2+

676

SiF₂⁺

Silicon difluoride cation

sif2+

677

CCl₂

dichloromethylene

ccl2

678

CCl₂^-

dichloromethylene anion

ccl2-

679

CCl₂⁺

dichloromethylene cation

ccl2+

680

SiCl₂

Dichlorosilylene

sicl2

681

GeF₂

Germanium difluoride

gef2

682

FOO

Dioxygen monofluoride radical

foo

683

ClOO

chloroperoxy radical

cloo

684

ClOO⁺

chloroperoxy cation

cloo+

685

OClO⁺

Chlorine dioxide cation

oclo+

686

ClS₂

Sulfur chloride

cls2

687

NF₂

Difluoroamino radical

nf2

688

NF₂⁺

Difluoroamino cation

nf2+

689

F₂O

Difluorine monoxide

f2o

690

SF₂^-

sulfur difluoride anion

sf2-

691

SF₂⁺

sulfur difluoride cation

sf2+

692

Cl₂O

Dichlorine monoxide

cl2o

693

SCl₂

Sulfur dichloride

scl2

694

BrOCl

Bromine hypochlorite

brocl

695

BrOBr

Bromine oxide

brobr

696

F₃^-

trifluoride anion

f3-

697

Cl₃^-

trichloride anion

cl3-

698

I₃^-

triiodide

i3-

699

HCCF⁺

fluoroacetylene cation

hccf+

700

HCCCl

Chloroacetylene

hcccl

701

HFCO

formyl fluoride

hfco

702

HFCO⁺

formyl fluoride cation

hfco+

703

COHCl

Formyl chloride

cohcl

704

COHBr

Formyl bromide

cohbr

705

BHF₂

Difluoroborane

bhf2

706

BHCl₂

Borane, dichloro-

bhcl2

707

CHCl₂

dichloromethyl radical

chcl2

708

HOClO

Chlorous acid

hoclo

709

CH₂FCl

fluorochloromethane

ch2fcl

710

CH₂FI

fluoroiodomethane

ch2fi

711

CH₂ClI

chloroiodomethane

ch2cli

712

CH₂BrI

bromoiodomethane

ch2bri

713

CH₂I₂

Diiodomethane

ch2i2

714

SiH₂Cl₂

dichlorosilane

sih2cl2

715

CH₂CHF⁺

fluoroethene cation

ch2chf+

716

C₂H₃Cl

Ethene, chloro-

ch2chcl

717

C₂H₃Br

vinyl bromide

c2h3br

718

C₂H₃I

Vinyl iodide

c2h3i

719

CH₃OCl

methyl hypochlorite

ch3ocl

720

C₂H₅F

fluoroethane

c2h5f

721

CH₃CH₂Cl

Ethyl chloride

c2h5cl

722

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

723

C₂H₅I

Ethyl iodide

c2h5i

724

KrF₂

Krypton difluoride

krf2

725

XeF₂

Xenon difluoride

xef2

726

B₄H₁₀

Tetraborane(10)

b4h10

727

C₄⁺

Carbon tetramer cation

c4+

728

C₄H₂

Diacetylene

c4h2

729

C₂H₃CCH

1-Buten-3-yne

c2h3cch

730

C₄H₄

cyclobutadiene

cbd

731

H₂CCCCH₂

Butatriene

h2cccch2

732

C₄H₆

Cyclobutene

c822355

733

C₄H₆

Methylenecyclopropane

c6142730

734

CH₂CCHCH₃

1,2-Butadiene

butad12

735

CH₂CHCHCH₂

1,3-Butadiene

c106990

736

CH₃CCCH₃

2-Butyne

c503173

737

CHCCH₂CH₃

1-Butyne

c107006

738

CH₃CHCHCH₂

methylallyl radical

c4h7

739

C₄H₈

methylcyclopropane

mcp

740

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

741

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

742

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

743

B(CH₃)₃

trimethylborane

bme3

744

Al(CH₃)₃

trimethyl aluminum

tma

745

C(CH₃)₃

Tert-butyl radical

tbutyl

746

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

747

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

748

CH₃CH(CH₃)CH₃

Isobutane

isobutane

749

SiH(CH₃)₃

trimethylsilane

trimsi

750

Li₃N

trilithium nitride

li3n

751

C₂N₂

Cyanogen

c2n2

752

C₂N₂⁺

Cyanogen cation

c2n2+

753

P₄

Phosphorus tetramer

754

HCCCN

Cyanoacetylene

hcccn

755

C₃H₃N

acrylonitrile

ch2chcn

756

C₃H₃N⁺

acrylonitrile cation

ch2chcn+

757

CH₃N₃

methyl azide

ch3n3

758

CH₃NHN₂⁺

methyl azide, protonated

ch3nhn2+

759

CH₅N₃

Guanidine

guanidine

760

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

761

CH₆N₃⁺

guanidinium

ch6n3+

762

C₃H₇N

Cyclopropylamine

cpram

763

C₃H₇N

Azetidine

azet

764

C₄H₈

cyclobutane

cbutane

765

C₂H₈N₂

Ethylenediamine

ethdiam

766

CH₃NHNHCH₃

dimethyl hydrazine

dmh

767

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

768

N(CH₃)₃

Trimethylamine

trimeam

769

P(CH₃)₃

trimethylphosphine

tmp

770

As(CH₃)₃

trimethyl arsine

tmas

771

Li₂O₂

dilithium dioxide

li2o2

772

K₂O₂

dipotassium dioxide

k2o2

773

B₂O₂

Diboron dioxide

b2o2

774

CO₃

Carbon trioxide

co3

775

CO₃^--

carbonate

co3--

776

NO₃

Nitrogen trioxide

no3

777

NO₃^-

nitrate anion

no3-

778

NO₃⁺

nitrogen trioxide cation

no3+

779

SO₃^-

Sulfur trioxide anion

so3-

780

SO₃⁺

Sulfur trioxide cation

so3+

781

SeO₃

selenium trioxide

seo3

782

TeO₃

Tellurium trioxide

teo3

783

HCO₃^-

bicarbonate anion

hco3-

784

HSO₃

Hydroxysulfonyl radical

hso3

785

NH₂NO₂

nitramide

nh2no2

786

C₂H₂CO

cyclopropenone

c2h2co

787

HCCCHO

2-propynal

hcccho

788

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

789

H₂CO₃

Carbonic acid

h2co3

790

H₂CS₃

thiocarbonic acid

h2cs3

791

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

792

H₂SO₃

Sulfurous acid

h2so3

793

CH₃COO^-

acetate anion

ch3coo-

794

CH₃ONO

Methyl nitrite

ch3ono

795

NH₂COOH

Carbamic acid

nh2cooh

796

H₃BO₃

Boric acid

h3bo3

797

H₃CO₃⁺

carbonic acid, protonated

h3co3+

798

C₃H₄O

2-Propyn-1-ol

c107197

799

C₃H₄O

allenol

c9000071

800

C₃H₄O

Cyclopropanone

cpone

801

C₃H₄O

Methylketene

c6004440

802

NH₂CONH₂

Urea

urea

803

NH₂CONH₂⁺

Urea cation

urea+

804

NH₂CSNH₂

Thiourea

thiourea

805

C₂H₄O₂

1,3-dioxetane

c2h4o2

806

CH₃COOH

Acetic acid

ch3cooh

807

CH₃OCHO

methyl formate

ch3ocho

808

CHOCH₂OH

hydroxy acetaldehyde

haa

809

NH₂COOH₂⁺

Carbamic acid, O-protonated

nh2cooh2+

810

NH₃COOH⁺

protonated Carbamic acid

nh3cooh+

811

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

812

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

813

HCOOHH₂O

Formic acid water dimer

hcoohh2o

814

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

815

CH₃COCH₂

Acetonyl radical

ch3coch2

816

CH₃CHNOH

Acetaldoxime

acetaldoxime

817

CH₃CONH₂

Acetamide

acetamide

818

HCONHCH₃

N-methylformamide

nmfa

819

CH₅N₂O⁺

urea, N-protonated

ch4n2o+

820

H₂NCOHNH₂⁺

urea, protonated

ureah+

821

C₂H₅OO

ethylperoxy radical

c2h5oo

822

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

823

C₃H₆O

2-Propen-1-ol

c107186

824

C₃H₆O

Oxetane

oxetane

825

C₃H₆O

Propylene oxide

prox

826

CH₃COCH₃^-

acetone anion

ch3coch3-

827

C₃H₆S

Thietane

thietane

828

C₃H₆S

Thiirane, methyl-

methiirane

829

CH₃CSCH₃

Thioacetone

ch3csch3

830

C₂H₆O₂

1,2-Ethanediol

ethdiol

831

CH₃OOCH₃

dimethylperoxide

dmp

832

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

833

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

834

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

835

HOCH₂CH₂NH₂

monoethanolamine

mea

836

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

837

CH₃OC₂H₅

Ethane, methoxy-

etome

838

C₃H₇SH

1-Propanethiol

prsh

839

CH₃CHSHCH₃

2-Propanethiol

isoprsh

840

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

841

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

842

Na₂F₂

Sodium Fluoride Dimer

na2f2

843

Na₂Cl₂

Disodium dichloride

na2cl2

844

C₂F₂

difluoroacetylene

c2f2

845

C₂Cl₂

dichloroacetylene

c2cl2

846

C₂Cl₂⁺

dichloroacetylene cation

c2cl2+

847

ClNO₂

Nitryl chloride

clno2

848

ClONO

chlorine nitrite

clono

849

BrONO

Bromine nitrite

brono

850

N₂F₂

(Z)-Difluorodiazene

n2f2_z

851

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

852

COFCl

Carbonic chloride fluoride

cofcl

853

CCl₂O

Phosgene

cl2co

854

Cl₂CS

Thiophosgene

cl2cs

855

COBr₂

Carbonic dibromide

cobr2

856

BF₃

Borane, trifluoro-

bf3

857

BF₃^-

Borane, trifluoro- anion

bf3-

858

AlF₃

Aluminum trifluoride

alf3

859

AlF₂Cl

Aluminum chloride difluoride

alclf2

860

ScF₃

Scandium trifluoride

ScF3

861

AlFCl₂

Aluminum dichloride fluoride

alcl2f

862

AlCl₃

Aluminum trichloride

alcl3

863

BBr₃

Boron tribromide

bbr3

864

AlBr₃

Aluminum Bromide

albr3

865

ClO₃

Chlorine trioxide

clo3

866

ClO₃^-

chlorate anion

clo3-

867

BrO₃^-

Bromate anion

bro3-

868

CF₃

Trifluoromethyl radical

cf3

869

CF₃^-

Trifluoromethyl anion

cf3-

870

CF₃⁺

Trifluoromethyl cation

cf3+

871

SiF₃

Silicon trifluoride radical

sif3

872

SiF₃⁺

Silicon trifluoride cation

sif3+

873

CCl₃

Trichloromethyl radical

ccl3

874

CCl₃^-

Trichloromethyl anion

ccl3-

875

CCl₃⁺

Trichloromethyl cation

ccl3+

876

SiCl₃

trichlorosilyl radical

sicl3

877

SiCl₃⁺

trichlorosilyl cation

sicl3+

878

FOOF

Perfluoroperoxide

foof

879

F₂SO

Thionyl Fluoride

f2so

880

ClOOCl

Dichlorine dioxide

cloocl

881

FSSF

Difluorodisulfane

fssf

882

S₂F₂

Thio-thionyl fluoride

s2f2

883

SOCl₂

thionyl chloride

socl2

884

SeOCl₂

selenium oxychloride

seocl2

885

NF₃^-

Nitrogen trifluoride anion

nf3-

886

NF₃⁺

Nitrogen trifluoride cation

nf3+

887

PF₃

Phosphorus trifluoride

pf3

888

AsF₃

Arsenic trifluoride

asf3

889

PCl₃

Phosphorus trichloride

pcl3

890

SbF₃

Antimony Trifluoride

sbf3

891

AsCl₃

Arsenous trichloride

ascl3

892

SbCl₃

Antimony Trichloride

sbcl3

893

PBr₃

Phosphorus tribromide

pbr3

894

AsBr₃

Arsenic tribromide

asbr3

895

NI₃

Nitrogen triiodide

ni3

896

PI₃

Phosphorus triiodide

pi3

897

ClSSCl

Disulfur dichloride

s2cl2

898

SF₃

Sulfur trifluoride

sf3

899

ClF₃

Chlorine trifluoride

clf3

900

BrF₃

Bromine trifluoride

brf3

901

IF₃

iodone trifluoride

if3

902

CHF₂Cl

difluorochloromethane

chf2cl

903

CHFCl₂

fluorodichloromethane

chfcl2

904

CDCl₃

trichloromethane-d

cdcl3

905

SiHCl₃

Trichlorosilane

sihcl3

906

CHF₂I

difluoroiodomethane

chf2i

907

CHFClI

fluorochloroiodomethane

chfcli

908

CHCl₂I

dichloroiodomethane

chcl2i

909

CHClBr₂

Methane, dibromochloro-

chclbr2

910

CHBr₃

bromoform

chbr3

911

CHI₃

Iodoform

chi3

912

C₂H₂F₂

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

c2h2f2e

913

C₂H₂F₂

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

c2h2f2z

914

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

915

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

916

CHClCHCl

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

chclchcle

917

CHClCHCl

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

chclchclz

918

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

919

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

920

CH₃COF

Acetyl fluoride

ch3cof

921

CH₂ClCHO

chloroacetaldehyde

ch2clcho

922

CH₃COCl

Acetyl Chloride

ch3cocl

923

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

ch2fch2cl

924

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

925

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

926

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

927

CH₂CFCH₃

2-fluoropropene

2fpro

928

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

929

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

930

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

931

CH₂ClCH₂OH

2-Chloroethanol

ch2clch2oh

932

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

ch2clch2oh2+

933

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

934

CH₃CH₂CH₂Br

n-propyl bromide

prbr

935

CH₃CHBrCH₃

i-propyl bromide

iprbr

936

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

937

C₅H₅

cyclopentadienyl radical

c5h5

938

C₅H₅^-

cylopentadienyl anion

c5h5-

939

C₅H₆

1,3-Cyclopentadiene

c542927

940

C₅H₆

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

c78808

941

C₅H₆

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

c2004695

942

C₅H₆

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

c1574409

943

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

944

C₅H₆

Cyclopropylacetylene

c6746947

945

C₅H₇

1,3-pentadienyl radical

pdyl

946

C₅H₇

cyclopentenyl radical

cpyl

947

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

948

C₅H₈

1,2-Pentadiene

c591957

949

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

950

C₅H₈

1,3-Pentadiene, (E)-

c2004708

951

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

952

C₅H₈

1,4-Pentadiene

c591935

953

C₅H₈

1-pentyne

a1pentyne

954

C₅H₈

2,3-Pentadiene

c591968

955

C₅H₈

Cyclobutane, methylene-

c1120565

956

C₅H₈

Cyclopentene

c142290

957

C₅H₈

Ethenylcyclopropane

c693867

958

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

959

C₅H₁₀

1-Butene, 2-methyl-

c563462

960

C₅H₁₀

2-Butene, 2-methyl-

c513359

961

C₅H₁₀

2-Pentene, (E)-

c646048

962

C₅H₁₀

2-Pentene, (Z)-

c627203

963

C₅H₁₀

Cyclopentane

c287923

964

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

965

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

966

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

967

C₅H₁₂

Butane, 2-methyl-

buta2

968

C₅H₁₂

Pentane

pentane

969

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

970

Si(CH₃)₄

tetramethylsilane

tms

971

N₂O₃

Dinitrogen trioxide

n2o3

972

C₃H₂N₂

Malononitrile

c3h2n2

973

CH₂N₄

1H-Tetrazole

1htz

974

C₃H₃N₂

imidazolyl radical

975

C₃H₃N₂^-

imidizolyl anion

im-

976

C₂H₃N₃

1H-1,2,4-Triazole

c288880

977

C₄H₄N

pyrrolide radical

c4h4n

978

C₄H₄N^-

pyrrolide anion

c4h4n-

979

C₃H₄N₂

1H-Imidazole

1himidaz

980

C₃H₄N₂

1H-Pyrazole

1hpyraz

981

C₃H₄N₂

4H-Imidazole

imid4h

982

C₄H₅N

(E)-2-Butenenitrile

c627269

983

C₄H₅N

(Z)-2-Butenenitrile

c1190767

984

C₄H₅N

2H-pyrrole

pyrrole2

985

C₄H₅N

3H-pyrrole

pyrrole3

986

C₄H₅N

Cyclopropanecarbonitrile

c5500210

987

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

988

C₄H₆N⁺

pyrrole, alpha-protonated

appyr

989

C₄H₆N⁺

pyrrole, protonated

ppyr

990

C₃H₆N₂

3-Aminopropionitrile

c151188

991

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

992

CH₃CH₂CH₂CN

Butanenitrile

c109740

993

C₅H₈

Bicyclo[2.1.0]pentane

c185944

994

C₅H₈

Spiropentane

c157404

995

C₄H₉N

Cyclobutylamine

cbam

996

C₄H₉N

Pyrrolidine

pyrrolidine

997

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

998

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

999

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1000

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1001

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1002

NH(C₂H₅)₂

diethylamine

dea

1003

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1004

C₃O₂⁺

Carbon suboxide cation

c3o2+

1005

MgCO₃

Magnesium Carbonate

mgco3

1006

BeCO₃

Beryllium Carbonate

beco3

1007

CaCO₃

Calcium Carbonate

caco3

1008

ONONO

Nitrosyl nitrite

onono

1009

PO₄^---

phosphate

po4---

1010

SO₄^--

sulfate

so4--

1011

HOONO₂

peroxy nitric acid

hoono2

1012

HSO₄^-

bisulfate anion

hso4-

1013

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1014

C₃H₂O₂

Propiolic acid

c3h2o2

1015

CHOCOOH

oxo acetic acid

oaa

1016

H₂SO₄

Sulfuric acid

h2so4

1017

H₂SeO₄

Selenic acid

h2seo4

1018

C₃H₃NO

Oxazole

oxazole

1019

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1020

CH₃NO₃

Methyl nitrate

ch3no3

1021

H₃PO₄

Phosphoric Acid

h3po4

1022

C₄H₄O⁺

Furan cation

furan+

1023

C₄H₄S

Thiophene

furans

1024

C₃H₄O₂

β–Propiolactone

beta

1025

C₃H₄O₂

2-Propenoic acid

propenoic2

1026

C₃H₄O₂

Methyl glyoxal

megly

1027

C₃H₄O₂

propanedial

1028

C₃H₄O₂

propenalol

1029

HOCHCCHOH

allenediol

aldiol

1030

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1031

C₂H₄O₃

trioxolane124

triox

1032

HOCH₂COOH

Hydroxyacetic acid

hac

1033

CH₂CHCONH₂

Acrylamide

c79061

1034

CH₃OCH₂CN

Methoxyacetonitrile

c1738369

1035

CH₅N₃S

Hydrazinecarbothioamide

c79196

1036

H₂NCH₂COOH

Glycine

glycine

1037

C₄H₆O

cis-2-butenal

butenal2c

1038

C₄H₆O

Cyclobutanone

cbutone

1039

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1040

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1041

CH₂CHOCHCH₂

Vinyl ether

vinylether

1042

CHOCHCHCH₃

2-Butenal

butenal2

1043

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1044

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1045

C₂H₆N₂O

Urea, methyl-

c598505

1046

C₃H₆O₂

1,3-Dioxolane

dioxolane

1047

CH₃CH₂COOH

Propanoic Acid

propanoic

1048

CH₃COOCH₃

methyl acetate

aame

1049

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1050

C₃H₇NO

dimethylformamide

dmf

1051

C₃H₇NO

Propanamide

propanam

1052

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1053

C₄H₈O

Cyclobutanol

c2919235

1054

C₄H₈O

Furan, tetrahydro-

thf

1055

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1056

CH₃COCH₂CH₃

2-Butanone

buta2one

1057

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1058

CHOCH₂CH₂CH₃

Butanal

butanal

1059

C₃H₈O₂

1,3-Propanediol

c504632

1060

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1061

C₃H₈O₂

Methane, dimethoxy-

c109875

1062

C₃H₈O₂

Propylene glycol

c57556

1063

C₃H₈S₂

1,3-Propanedithiol

c109808

1064

C₄H₁₀O

1-Butanol

butanol1

1065

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1066

C₄H₁₀O

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

butanol2

1067

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1068

C₄H₁₀O

Propane, 2-methoxy-

c598538

1069

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1070

C₂H₅SC₂H₅

Diethyl sulfide

etset

1071

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1072

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1073

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1074

FNO₃

Fluorine nitrate

fno3

1075

ClONO₂

Chlorine nitrate

clono2

1076

BrONO₂

Bromine nitrate

brono2

1077

TiCl₄

Titanium tetrachloride

ticl4

1078

ClO₄^-

perchlorate anion

clo4-

1079

BF₄^-

tetrafluoroboron anion

bf4-

1080

ClFO₃

Perchloryl fluoride

clfo3

1081

SO₂F₂

Sulfuryl fluoride

so2f2

1082

SO₂Cl₂

Sulfuryl chloride

so2cl2

1083

F₃NO

Nitrogen trifluoride oxide

f3no

1084

F₃PO

Phosphoryl fluoride

pf3o

1085

Cl₃PO

Phosphoryl chloride

pcl3o

1086

CF₄

Carbon tetrafluoride

cf4

1087

SiF₄

Silicon tetrafluoride

sif4

1088

TiF₄

Titanium tetrafluoride

tif4

1089

CFCl₃

Trichloromonofluoromethane

cfcl3

1090

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1091

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

1092

SiCl₄

Silane, tetrachloro-

sicl4

1093

CF₃I

trifluoroiodomethane

cf3i

1094

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1095

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1096

GeCl₄

Germanium Tetrachloride

gecl4

1097

CCl₃I

trichloroiodomethane

ccl3i

1098

CFBr₃

fluorotribromomethane

cfbr3

1099

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1100

CF₂I₂

difluorodiiodomethane

cf2i2

1101

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1102

CBr₃I

tribromoiododmethane

cbr3i

1103

CI₄

tetraiodomethane

ci4

1104

SiI₄

silicon tetraiodide

sii4

1105

ClOF₃

Chlorine trifluoride oxide

clof3

1106

C₂HF₃

Trifluoroethylene

c2hf3

1107

C₂HF₃⁺

Trifluoroethylene cation

c2hf3+

1108

CHClCCl₂

Trichloroethylene

chclccl2

1109

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1110

HClO₄

perchloric acid

hclo4

1111

HSO₃F

Fluorosulfonic acid

hso3f

1112

CF₃OH

trifluoromethanol

cf3oh

1113

CHClCCHCl

1,3-dichloroallene

chclcchcl

1114

PF₃CH₂

phosphorane, trifluoromethylene-

pf3ch2

1115

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1116

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

1117

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1118

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1119

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1120

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1121

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1122

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1123

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1124

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1125

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1126

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1127

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1128

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1129

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1130

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1131

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1132

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1133

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

bute2cl1

1134

CH₃CClCHCH₃

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

bute2cl2e

1135

CH₃CClCHCH₃

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

bute2cl2z

1136

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1137

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1138

C₄H₉F

1-fluorobutane

butaf1

1139

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1140

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1141

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1142

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1143

XeF₄

Xenon tetrafluoride

xef4

1144

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1145

C₆H₂

hexatriyne

c6h2

1146

C₆H₄

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

c6h4e

1147

C₆H₄

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

c6h4z

1148

C₆H₄

Benzyne

benzyne

1149

C₆H₅

phenyl

1150

C₆H₅^-

phenyl anion

phenyl-

1151

C₆H₆

2,4-Hexadiyne

hexadiyne

1152

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1153

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

1154

C₆H₆

Trimethylenecycopropane

tmcp

1155

C₆H₆⁺

Benzene cation

c6h6+

1156

C₆H₈

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

c821078

1157

C₆H₈

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

c59660650

1158

C₆H₈

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

hexatri135

1159

C₆H₈

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

hetr234c

1160

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1161

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1162

C₆H₈

3-Methylenecyclopentene

c930267

1163

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1164

C₆H₈

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

c30830207

1165

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1166

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1167

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1168

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1169

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1170

C₆H₁₀

1,5-Hexadiene

c592427

1171

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1172

C₆H₁₀

1-Hexyne

hexyne1

1173

C₆H₁₀

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

hexdi24ee

1174

C₆H₁₀

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

hexdi24ez

1175

C₆H₁₀

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

hexdi24zz

1176

C₆H₁₀

2-Hexyne

c764352

1177

C₆H₁₀

3-Hexyne

hexyne3

1178

C₆H₁₀

cyclohexene

1179

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1180

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1181

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1182

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1183

C₆H₁₂

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

dmcb12t

1184

C₆H₁₂

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

dmcb13t

1185

C₆H₁₂

(E)-2-Hexene

e2hexene

1186

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1187

C₆H₁₂

(E)-hex-3-ene

e3hexene

1188

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1189

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1190

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1191

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1192

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1193

C₆H₁₂

3-methylenepentane

c760214

1194

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1195

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1196

C₆H₁₂

Cyclohexane

cyclohexane

1197

C₆H₁₂

Cyclopentane, methyl-

c96377

1198

C₆H₁₂

Ethylcyclobutane

c4806615

1199

C₆H₁₂

hex-1-ene

hexene1

1200

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1201

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1202

C₆H₁₄

Hexane

hexane

1203

C₆H₁₄

Pentane, 2-methyl-

penta2

1204

C₆H₁₄

Pentane, 3-methyl-

penta3

1205

C₄N₂

2-Butynedinitrile

c4n2

1206

C₄H₂N₂

Fumaronitrile

c4h2n2

1207

C₂H₂N₄

sym-tetrazine

ttz

1208

C₃H₃N₃

1,3,5-Triazine

triazine135

1209

CH₃N₅

5-Aminotetrazole

c4418615

1210

C₄H₄N₂

1,3-Diazine

diazine13

1211

C₄H₄N₂

Pyrazine

pyrazine

1212

C₄H₄N₂

Pyridazine

pyridazine

1213

C₄H₄N₂

Succinonitrile

c110612

1214

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1215

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1216

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1217

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1218

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1219

C₅H₅N

Pyridine

pyridine

1220

B₃N₃H₆

borazine

1221

C₆H₆

Fulvene

fulvene

1222

C₅H₆N⁺

Pyridinium

c5h6n

1223

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1224

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1225

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1226

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1227

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1228

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1229

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1230

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1231

C₅H₉N

Pentanenitrile

c110598

1232

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1233

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1234

C₅H₁₁N

Cyclopentanamine

cypentam

1235

C₅H₁₁N

Piperidine

piper

1236

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1237

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1238

Li₂CO₃

Lithium Carbonate

li2co3

1239

Na₂CO₃

Sodium Carbonate

na2co3

1240

C₂O₄^--

oxalate anion

c2o4

1241

C₂H₂O₄

Oxalic Acid

oxalic

1242

C₂H₃NO₃

Oxamic acid

oxamic

1243

C₄H₄O₂

2(5H)-Furanone

furanone

1244

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1245

C₂H₄N₂O₂

Oxalamide

oxalamide

1246

C₂H₄N₂S₂

Ethanedithioamide

c79403

1247

C₂H₄CO₃

Ethylene carbonate

etco3

1248

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1249

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1250

C₄H₅NO

3-Methylisoxazole

isox3m

1251

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1252

C₄H₅NS

4-Methylthiazole

c693958

1253

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1254

C₅H₆O

2-methylfuran

furan2m

1255

C₅H₆O

3-Methylfuran

furan3m

1256

C₅H₆S

Thiophene, 2-methyl-

c554143

1257

C₅H₆S

Thiophene, 3-methyl-

c616444

1258

C₄H₆O₂

2,3-Butanedione

c431038

1259

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1260

C₄H₆O₂

Crotonic Acid

crot

1261

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1262

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1263

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1264

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1265

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1266

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1267

C₄H₆OS

Vinyl sulfoxide

c1115157

1268

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1269

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1270

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1271

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1272

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1273

C₄H₇NO

2-Pyrrolidinone

c616455

1274

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1275

C₄H₇NO

Methacrylamide

c79390

1276

C₄H₇NO

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

c1120645

1277

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1278

C₃H₇ONO

Propyl nitrite

prono

1279

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1280

CH₃CH(NH₂)COOH

Alanine

alanine

1281

CH₃NHCH₂COOH

Sarcosine

sarcosine

1282

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1283

NH₂COOC₂H₅

Urethane

urethane

1284

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1285

C₅H₈O

Cyclopentanone

c120923

1286

C₅H₈O

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

c1487156

1287

C₅H₈O

Methyl cyclopropyl ketone

c765435

1288

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1289

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

1290

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1291

C₄H₈O₂

1,3-Dioxane

dioxan13

1292

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1293

C₄H₈O₂

1,4-Dioxane

dioxan14

1294

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1295

C₄H₈OS

s-Ethyl thioacetate

c625605

1296

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1297

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1298

C₄H₉NO

Butanamide

c541355

1299

C₄H₉NO

Propanamide, 2-methyl-

c563837

1300

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1301

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1302

C₅H₁₀O

2-methylbutyraldehyde

2meba

1303

C₅H₁₀O

2-Pentanone

mpk

1304

C₅H₁₀O

Cyclopentanol

c96413

1305

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1306

C₅H₁₀O

Pentanal

pal

1307

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1308

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1309

C₅H₁₀S

Cyclopentanethiol

c1679078

1310

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1311

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1312

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1313

C₄H₁₀O₂

1,3-Butanediol

budiol13

1314

C₄H₁₀O₂

1,4-Butanediol

budiol14

1315

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1316

C₄H₁₀OS

Diethyl sulfoxide

c70291

1317

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1318

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1319

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1320

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1321

C₅H₁₂O

1-Pentanol

pentanol1

1322

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1323

C₅H₁₂O

2-Pentanol

peol2

1324

C₅H₁₂O

3-Pentanol

pentan3ol

1325

C₅H₁₂O

Butane, 1-methoxy-

meobu

1326

C₅H₁₂O

Propane, 1-ethoxy-

proet

1327

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1328

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1329

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1330

C₅H₁₂S

1-Pentanethiol

c110667

1331

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1332

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1333

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1334

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1335

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1336

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1337

C₅H₁₂S

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

c6163640

1338

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1339

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1340

B₂F₄

Diboron tetrafluoride

b2f4

1341

B₂Cl₄

Diboron tetrachloride

b2cl4

1342

C₂F₄

Tetrafluoroethylene

c2f4

1343

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1344

CF₂CCl₂

difluorodichloroethylene

cf2ccl2

1345

CFClCClF

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

cfclcclf

1346

CFClCFCl

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

cfclcfcl

1347

C₂FCl₃

fluorotrichloroethene

c2fcl3

1348

C₂Cl₄

Tetrachloroethylene

c2cl4

1349

CF₃OF

Trifluoromethylhypofluorite

cf3of

1350

SOF₄

Sulfur tetrafluoride oxide

sof4

1351

AsF₅

Arsenic pentafluoride

asf5

1352

PCl₅

Phosphorus pentachloride

pcl5

1353

SF₅

Sulfur pentafluoride

sf5

1354

SF₅⁺

pentafluoro sulfur cation

sf5+

1355

SbCl₅

Antimony pentachloride

sbcl5

1356

BrF₅

bromine pentafluoride

brf5

1357

ClF₅

chlorinepentafluoride

clf5

1358

IF₅

pentafluoroiodine

if5

1359

CF₃CHO

trifluoroacetaldehyde

cf3cho

1360

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1361

CHFClCHClF

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

chfclchclf

1362

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1363

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1364

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1365

CHFClCHFCl

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

chfclchfcl

1366

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

1367

CF₃COOH

trifluoroacetic acid

cf3cooh

1368

C₄H₃ClO

Furan, 2-chloro

fur2cl

1369

C₄H₃ClO

Furan,3-chloro

fur3cl

1370

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1371

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1372

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1373

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1374

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1375

C₄H₈Cl₂

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

c2211678

1376

C₄H₈Cl₂

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

c4028562

1377

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1378

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1379

C₆H₅CH₂

benzyl radical

benzyl

1380

C₆H₅CH₃

toluene

1381

C₇H₈

cycloheptatriene

cht

1382

C₇H₈

Norbornadiene

norbor

1383

C₇H₈

Quadricyclane

qucy

1384

C₇H₁₂

Norbornane

nor

1385

C₇H₁₄

cycloheptane

c7h14

1386

C₇H₁₆

2-methylhexane

2mhex

1387

C₇H₁₆

3-methylhexane

hex3m

1388

C₇H₁₆

heptane

1389

C₆H₇N

2-Methylpyridine

1390

C₆H₅NH₂

aniline

1391

C₆H₁₃N

2-Methylpiperidine

pip2m

1392

C₆H₁₃N

cyclohexanamine

cham

1393

C₆H₁₅N

triethylamine

tea

1394

N₂O₅

Dinitrogen pentoxide

n2o5

1395

C₄H₂O₃

Maleic Anhydride

malan

1396

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1397

C₆H₅O

phenoxy radical

phenoxy

1398

C₅H₅NO

2(1H)-Pyridinone

c72762006

1399

C₅H₅NO

2(3H)-Pyridinone

c9000048

1400

C₅H₅NO

2(5H)-Pyridinone

c9000037

1401

C₅H₅NO

2-Pyridinol

c109104

1402

C₅H₅NO

3(2H)-Pyridinone

c9000004

1403

C₅H₅NO

3(4H)-Pyridinone

c9000026

1404

C₅H₅NO

3(6H)-Pyridinone

c9000015

1405

C₅H₅NO

3-Pyridinol

c109002

1406

C₅H₅NO

4(1H)-Pryidinone

c9000060

1407

C₅H₅NO

4(3H)-Pryidinone

c9000059

1408

C₅H₅NO

4-Pyridinol

c626642

1409

C₆H₅OH

phenol

1410

C₆H₆O

2,4-Cyclohexadienone

c24599573

1411

C₆H₆O

2,5-Cyclohexadienone

c5664335

1412

C₆H₅SH

Benzenethiol

phsh

1413

HO₂CCHNH₂CH₂OH

Serine

serine

1414

C₅H₈O₂

Acetylacetone

acac

1415

C₄H₈O₂S

Sulfolane

sulfolane

1416

CH(C₂H₃)₃

trivinyl methane

tvm

1417

C₆H₁₀O

cyclohexanone

chexo

1418

C₆H₁₂O

hexanal

c6h12o

1419

C₃H₇OC₃H₇

di-n-propyl ether

propr

1420

CF₃COO^-

trifluoro acetate anion

cf3coo-

1421

CF₃COF

trifluoroacetyl fluoride

cf3cof

1422

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1423

PF₆

Hexafluorophosphate neutral

pf6

1424

PF₆^-

Hexafluorophosphate ion

pf6-

1425

SeF₆

Selenium hexafluoride

sef6

1426

SF₅Cl

sulfur chloropentafluoride

sf5cl

1427

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1428

CF₃CHCl₂

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

cf3chcl2

1429

CHCl₂CClF₂

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

chcl2cclf2

1430

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1431

C₆H₅F

Fluorobenzene

bzf

1432

C₆H₅Cl

chlorobenzene

bzcl

1433

C₆H₅Br

bromobenzene

bzbr

1434

C₈H₆

Calicene

calicene

1435

C₆H₅CCH

phenylacetylene

phac

1436

C₈H₆

benzocyclobutadiene

bcbd

1437

C₈H₆

Pentalene

pentalene

1438

C₆H₅CHCH₂

Styrene

styrene

1439

C₈H₈

cyclooctatetraene

cot

1440

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1441

CH₃C₆H₄CH₃

meta-xylene

mxylene

1442

CH₃C₆H₄CH₃

paraxylene

pxylene

1443

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1444

C₈H₁₆

cyclooctane

cyclooct

1445

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1446

C₈H₁₈

Octane

c8h18

1447

C₆H₅CN

phenyl cyanide

phcn

1448

C₆H₁₂N₂

Triethylenediamine

ted

1449

C₄O₄^--

squarate dianion

c4o4--

1450

S₈

Octasulfur

1451

C₆H₄O₂

parabenzoquinone

pbq

1452

C₄H₄N₂O₂

Uracil

uracil

1453

C₆H₅OCH₃

Anisole

anisole

1454

C₅H₉NO₂

Proline

proline

1455

C₆H₁₂O₂

Methyl pivalate

c598981

1456

C₆H₁₂O₂

Hexanoic acid

hexa

1457

C₄F₄

tetrafluorcyclobutadiene

c4f4

1458

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1459

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1460

CF₂ClCF₂Cl

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

cf2clcf2cl

1461

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1462

CF₂ClCFCl₂

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

cf2clcfcl2

1463

CF₃CCl₃

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

cf3ccl3

1464

C₂F₆

hexafluoroethane

c2f6

1465

IF₇

Iodine heptafluoride

if7

1466

C₆H₄F₂

metadifluorobenzene

mdfb

1467

C₆H₄F₂

orthodifluorobenzene

odfb

1468

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1469

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1470

C₉H₈

Indene

indene

1471

C₉H₈

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

snt

1472

C₉H₁₂

n-propyl benzene

prbz

1473

C₉H₂₀

Nonane

nonane

1474

C(CN)₄

tetracyanomethane

c5n4

1475

C₅H₄N₄

purine

1476

C₈H₇N

Indole

indole

1477

C₃H₃N₃O₃

cyanuric acid

cyanuric

1478

C₆H₅NO₂

Nitrobenzene

c6h5no2

1479

C₆H₅COOH

benzoic acid

benzo

1480

CH₃COC₆H₅

acetophenone

acph

1481

C₃Cl₃N₃

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

c3cl3n3

1482

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1483

C₁₀H₈

Azulene

azu

1484

C₁₀H₈

naphthalene

naph

1485

C₁₀H₁₆

adamantane

1486

C₆N₄

Tetracyanoethylene

tcne

1487

C₆N₄^-

tetracyanoethylene anion

tcne-

1488

C₁₀H₂₂

Decane

decane

1489

C₄F₆

perfluorobutadiene

c4f6

1490

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1491

C₃F₈

perfluoropropane

c3f8

1492

Fe(CO)₅

Iron pentacarbonyl

ipc

1493

Fe(C₅H₅)₂

ferrocene

fecp2

1494

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1495

C₁₂H₈

Acenaphthylene

acenaph

1496

C₁₂H₈

biphenylene

biph

1497

C₁₂H₁₀

biphenyl

1498

C₁₂H₁₀

Heptalene

heptalene

1499

C₆H₁₂O₆

Inositol

inositol

1500

C₆F₆

hexafluorobenzene

c6f6

1501

C₁₄H₁₀

Anthracene

anth

1502

C₁₄H₁₀

Phenanthrene

phenanthrene

1503

C₁₂H₁₀N₂

azobenzene

1504

C₁₆H₁₀

Pyrene

pyrene

1505

C₁₈H₁₂

Tetracene

tetracene

1506

C₂₄H₁₂

Coronene

coronene

1507

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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