CCCBDB List of Species with completed calculations

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List of which calculations are completed at B2PLYP=FULL /aug-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	¹Σ_g	D_∞h
4	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
5	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
6	He	Helium atom	¹S	K_h
7	He	Helium atom
8	He⁺	Helium atom cation	²S	K_h
9	HeH⁺	Helium hydride cation	¹Σ	C_∞v
10	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
11	Li^-	Lithium atom anion	¹S	K_h
12	LiH⁺	lithium hydride cation	²Σ	C_∞v
13	BeH	beryllium monohydride	²Σ	C_∞v
14	MgH	magnesium monohydride	²Σ	C_∞v
15	TiH	Titanium monohydride	⁴Φ	C_∞v
16	ZnH⁺	Zinc, protonated
17	BeH₂⁺	Beryllium dihydride cation
18	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
19	Al	Aluminum atom	²P	K_h
20	Al^-	Aluminum atom anion	³P	K_h
21	Al⁺	Aluminum atom cation	¹S	K_h
22	Sc	Scandium atom	²D	K_h
23	Sc⁺	Scandium cation	³D	K_h
24	Ga	Gallium atom	²P
25	Ga^-	Gallium atom anion	³P	O_h
26	Ga⁺	Gallium atom cation	¹S
27	BH	Boron monohydride	¹Σ	C_∞v
28	BH	Boron monohydride	³Π	C_∞v
29	ScH	Scandium monohydride	¹Σ	C_∞v
30	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
31	GaH	Gallium monohydride	¹Σ	C_∞v
32	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
33	BH₃⁺	boron trihydride cation	²B₂	C_2v
34	BH₃⁺	boron trihydride cation		C_2v
35	AlH₃	aluminum trihydride	¹A₁^'	D_3h
36	AlH₃^-	aluminum trihydride anion		C_3v
37	ScH₃	Scandium trihydride	¹A₁^'	D_3h
38	ScH₃	Scandium trihydride	¹A₁	C_3v
39	BH₄	borohydride	²B₂	C_2v
40	BH₄^-	borohydride anion	¹A₁	T_d
41	C	Carbon atom	³P₀	K_h
42	C^-	Carbon atom anion	²D	K_h
43	Si	Silicon atom	³P	K_h
44	Si	Silicon atom	¹S	K_h
45	Si^-	Silicon atom anion	⁴S	K_h
46	Ge	Germanium atom	³P	K_h
47	Ge^-	Germanium anion	⁴S	K_h
48	Ge⁺	Germanium cation	²P	K_h
49	CH	Methylidyne	²Π_1/2	C_∞v
50	SiH	Silylidyne	²Π	C_∞v
51	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
52	GeH	germylidene	²Π	C_∞v
53	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
54	CH₂	Methylene	³B₁	C_2v
55	CH₂	Methylene	³Σ_G	D_∞h
56	CH₂	Methylene	¹A₁	C_2v
57	CH₂^-	methylene anion	²B₁	C_2v
58	CH₂⁺	methylene cation	²A₁	C_2v
59	CH₂⁺	methylene cation	²Π	D_∞h
60	GeH₂	germylene	¹A₁	C_2v
61	CH₃	Methyl radical	²A₁	D_3h
62	CH₃^-	methyl anion	¹A₁	C_3v
63	CH₃⁺	methyl cation	¹A₁^'	D_3h
64	SiH₃	Silyl radical	²A₁	C_3v
65	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
66	GeH₃	Germyl radical	²A₁	C_3v
67	GeH₃⁺	germyl cation	¹A₁^'	D_3h
68	CH₄	Methane	¹A₁	T_d
69	CH₄^-	Methane anion	²A₁	T_d
70	CH₄^-	Methane anion	²A₁	C_3v
71	SiH₂D₂	silane-d2
72	SiH₄	Silane	¹A₁	T_d
73	GeH₄	Germane	¹A₁	T_d
74	SiH₅⁺	Silane, protonated
75	N	Nitrogen atom	⁴S	K_h
76	P	Phosphorus atom	⁴S	K_h
77	V	Vanadium atom	⁴F	K_h
78	V⁺	Vanadium atom cation	⁵D	K_h
79	As	Arsenic atomic	⁴S	K_h
80	As^-	Arsenic anion	³P	K_h
81	As⁺	Arsenic cation	³P	K_h
82	PH	phosphorus monohydride	³Σ^-	C_∞v
83	AsH	Arsenic monohydride	³Σ	C_∞v
84	NH₂	Amino radical	²B₁	C_2v
85	NH₂⁺	Amino cation	³B₁	C_2v
86	NH₂⁺	Amino cation	¹A₁	C_2v
87	NH₃	Ammonia	¹A₁	C_3v
88	NH₃^-	Ammonia anion	²A₁	C_3v
89	NH₃⁺	ammonia cation	²A₂^"	D_3h
90	PH₃	Phosphine	¹A₁	C_3v
91	PH₃⁺	Phosphine cation	²A₁	C_3v
92	AsH₃	Arsine	¹A₁	C_3v
93	AsH₃⁺	Arsine cation	²A₁	C_3v
94	AsH₄⁺	Arsonium
95	NH₄	Ammonium radical
96	NH₄⁺	ammonium cation	¹A₁	T_d
97	PH₄	Phosphoranyl radical
98	PH₄⁺	phosphonium cation
99	O	Oxygen atom	³S	K_h
100	S	Sulfur atom	³P	K_h
101	S	Sulfur atom
102	S^-	Sulfur atom anion	²P	K_h
103	S⁺	Sulfur atom cation	⁴S	K_h
104	Se	Selenium atom	³P	K_h
105	Se^-	Selenium atom anion	²P	K_h
106	Se⁺	Selenium atom cation	⁴S	K_h
107	OH	Hydroxyl radical	²Π	C_∞v
108	OH^-	hydroxide anion	¹Σ	C_∞v
109	OH⁺	hydoxyl cation	³Σ	C_∞v
110	HS	Mercapto radical	²Π	C_∞v
111	HS^-	mercapto anion	¹Σ	C_∞v
112	HS⁺	sulfur monohydride cation	³Σ	C_∞v
113	CrH	Chromium hydride	⁶Σ	C_∞v
114	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
115	HSe	Selenium monohydride	²Π	C_∞v
116	HSe^-	selenium monohydride anion	¹Σ	C_∞v
117	HSe⁺	selenium monohydride cation	³Σ	C_∞v
118	H₂O	Water	¹A₁	C_2v
119	H₂O^-	water anion	²A₁	C_2v
120	H₂O^-	water anion	²A^'	C_s
121	H₂O⁺	water cation	²B₁	C_2v
122	HDO	Water-d1	¹A₁	C_2v
123	H₂S	Hydrogen sulfide	¹A₁	C_2v
124	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
125	H₂Se	Hydrogen selenide	¹A₁	C_2v
126	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
127	H₃O⁺	hydronium cation	¹A₁	C_3v
128	H₃S⁺	Sulfonium cation	¹A₁	C_3v
129	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
130	F	Fluorine atom	²P	K_h
131	F^-	Fluorine atom anion	¹S	K_h
132	F⁺	Fluorine atom cation	³S	K_h
133	F⁺	Fluorine atom cation	¹D	K_h
134	Cl	Chlorine atom	²P	K_h
135	Cl^-	Chlorine atom anion	¹S	K_h
136	Cl⁺	Chlorine atom cation	³P	K_h
137	Cl⁺	Chlorine atom cation	¹D	K_h
138	Br	Bromine atom	²P	K_h
139	Br^-	Bromine atom anion	¹S	K_h
140	Br⁺	Bromine atom cation	³P	K_h
141	HF	Hydrogen fluoride	¹Σ	C_∞v
142	HF^-	hydrogen fluoride anion	²Σ	C_∞v
143	HF⁺	hydrogen fluoride cation	²Π	C_∞v
144	HCl	Hydrogen chloride	¹Σ	C_∞v
145	HCl^-	hydrogen chloride anion	²Σ	C_∞v
146	HCl⁺	hydrogen chloride cation	²Π	C_∞v
147	HBr	hydrogen bromide	¹Σ	C_∞v
148	HBr^-	hydrogen bromide anion	²Σ	C_∞v
149	HBr⁺	hydrogen bromide cation	²Π	C_∞v
150	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
151	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
152	Ne	Neon atom	¹S	K_h
153	Ne	Neon atom
154	Kr	Krypton atom	¹S	K_h
155	Kr⁺	Krypton cation	²P	K_h
156	HeLi⁺	Helium Lithium cation
157	NeH	neon hydrogen	²Σ	C_∞v
158	ArH⁺	Argon hydride cation	¹Σ	C_∞v
159	KrH⁺	Protonated Krypton	¹Σ	C_∞v
160	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
161	NaLi	lithium sodium	¹Σ	C_∞v
162	Na₂	Sodium diatomic	¹Σ_g	D_∞h
163	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
164	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
165	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
166	BeMg	Beryllium Magnesium	¹Σ	C_∞v
167	LiB	Lithium boride	³Π	C_∞v
168	LiAl	Lithium Aluminum
169	NaAl	Sodium aluminum	¹Σ	C_∞v
170	BeB	Beryllium monoboride	²Π	C_∞v
171	B₂	Boron diatomic	³Σ_g	D_∞h
172	B₂	Boron diatomic	¹Σ_g	D_∞h
173	B₂	Boron diatomic	⁵Σ_u	D_∞h
174	B₂⁺	Boron diatomic cation	²Π	D_∞h
175	BAl	Boron Aluminum	³Σ	C_∞v
176	BGa	Boron Gallium	³Σ	C_∞v
177	AlGa	Aluminum Gallium	³Σ	C_∞v
178	AlGa	Aluminum Gallium	¹Σ	C_∞v
179	Ga₂	Gallium diatomic	³P_iu
180	HBBH	Diborane(2)	³Σ_G	D_∞h
181	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
182	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
183	B₂H₆	Diborane	¹A_g	D_2h
184	B₂H₆⁺	Diborane cation
185	Al₂H₆	dialane	¹A_G	D_2h
186	Ga₂H₆	digallane	¹A_G	D_2h
187	BeC	Beryllium Carbide	³Σ^-	C_∞v
188	BeC	Beryllium Carbide
189	AlC	Aluminum carbide	⁴Σ	C_∞v
190	BSi	Boron silicide	⁴Σ	C_∞v
191	BSi	Boron silicide	²Σ	C_∞v
192	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
193	C₂	Carbon diatomic	³Σ_g^-
194	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
195	SiC	silicon monocarbide	³Σ	C_∞v
196	SiC	silicon monocarbide	¹Σ	C_∞v
197	GeC	Germanium monocarbide	¹Σ	C_∞v
198	SiGe	Silicon Germanium
199	C₂H	Ethynyl radical	²Σ	C_∞v
200	C₂H^-	Ethynyl anion	¹Σ	C_∞v
201	C₂H₂	Acetylene	¹Σ_g	D_∞h
202	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
203	C₂H₂⁺	acetylene cation
204	H₂CC^-	vinylidene anion
205	HCCH^-	acetylene anion
206	HCCH^-	acetylene anion
207	Si₂H₂	disilyne
208	Si₂H₂	disilyne
209	Si₂H₂	disilyne
210	Si₂H₂	disilyne
211	CH₃Li	methyl lithium	¹A₁	C_3v
212	CH₂BH	methyleneborane	¹A₁	C_2v
213	C₂H₃	vinyl	²A^'	C_s
214	C₂H₃^-	vinyl anion	¹A^'	C_s
215	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
216	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
217	C₂H₄	Ethylene	¹A_g	D_2h
218	C₂H₄^-	Ethylene anion	²A_g	C_2h
219	C₂H₄⁺	Ethylene cation	²B₃	D₂
220	Si₂H₄	Disilene
221	Si₂H₄	Disilene
222	Si₂H₄	Disilene
223	CH₃BH₂	methylborane	¹A^'	C_s
224	C₂H₅	Ethyl radical	²A^'	C_s
225	C₂H₆	Ethane	¹A_1g	D_3d
226	Si₂H₆	disilane	¹E_u	D_3d
227	LiN	Lithium Nitride	³Σ	C_∞v
228	LiP	Lithium monophosphide
229	LiP	Lithium monophosphide
230	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
231	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
232	MgN	Magnesium Nitride
233	MgN	Magnesium Nitride
234	BP	Boron monophosphide	³Π	C_∞v
235	BP	Boron monophosphide	¹Σ	C_∞v
236	AlP	Aluminum monophosphide	³Σ	C_∞v
237	AlP	Aluminum monophosphide	³Π	C_∞v
238	AlP	Aluminum monophosphide	¹Σ	C_∞v
239	GaP	Gallium monophosphide	³Σ	C_∞v
240	GaP	Gallium monophosphide	¹Σ	C_∞v
241	GaAs	Gallium arsenide	³Π
242	GaAs	Gallium arsenide	¹Σ
243	BN	boron nitride	³Π	C_∞v
244	BN	boron nitride	¹Σ	C_∞v
245	CN	Cyano radical	²Σ	C_∞v
246	CN^-	cyanide anion	¹Σ	C_∞v
247	SiP	Silicon monophosphide	²Π	C_∞v
248	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
249	N₂	Nitrogen diatomic
250	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
251	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
252	PN	Phosphorus mononitride	¹Σ	C_∞v
253	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
254	HCN	Hydrogen cyanide	¹Σ	C_∞v
255	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
256	HNC⁺	hydrogen isocyanide cation
257	HCP⁺	Phosphaethyne cation
258	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
259	LiNH₂	lithium amide
260	HBNH	Boranimine	¹Σ	C_∞v
261	H₂NN	Isodiazene
262	N₂H₂	(E)-diazene	¹A_g	C_2h
263	N₂H₂	(Z)-Diazene	¹A₁	C_2v
264	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
265	CH₂NH	Methanimine	¹A^'	C_s
266	CH₂NH⁺	Methanimine cation
267	CHNH₂	aminomethylene
268	CHNH₂⁺	Aminocarbene cation
269	CH₂PH	Phosphaethene	¹A^'	C_s
270	BH₂NH₂	Boranamine
271	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
272	N₂H₄	Hydrazine	¹A	C₂
273	N₂H₄⁺	hydrazine cation	²A_G	C_2h
274	CH₃NH₂	methyl amine	¹A^'	C_s
275	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
276	SiH₃NH₂	Silane, amino
277	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
278	BH₃PH₃	borane phosphine
279	BH₃NH₃	borane ammonia	¹A₁	C_3v
280	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
281	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
282	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
283	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
284	N₂H₇⁺	ammonia ammonium dimer
285	LiO	lithium oxide	²Σ	C_∞v
286	LiS	Lithium monosulfide	²Π	C_∞v
287	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
288	NaO	sodium monoxide	²Σ	C_∞v
289	NaS	Sodium sulfide	²Π	C_∞v
290	LiSe	Lithium monoselenide
291	BO	boron monoxide	²Σ	C_∞v
292	ScO	Scandium monoxide	²Σ	C_∞v
293	GaO	Gallium monoxide	²Σ	C_∞v
294	GaS	Gallium monosulfide
295	CO	Carbon monoxide	¹Σ	C_∞v
296	CO^-	carbon monoxide anion	²Π	C_∞v
297	CO⁺	carbon monoxide cation	²Σ	C_∞v
298	SiO	Silicon monoxide	¹Σ	C_∞v
299	SiS	silicon monosulfide	¹Σ	C_∞v
300	TiO	Titanium monoxide	³Δ	C_∞v
301	CSe	Carbon monoselenide	¹Σ	C_∞v
302	GeO	Germanium monoxide	¹Σ	C_∞v
303	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
304	GeS	Germanium monosulfide	¹Σ	C_∞v
305	SiSe	Silicon Monoselenide
306	SiSe⁺	Silicon Monoselenide cation
307	GeSe	Germanium monoselenide
308	NO	Nitric oxide	²Π	C_∞v
309	NO^-	nitric oxide anion	³Σ	C_∞v
310	NO⁺	nitric oxide cation	¹Σ	C_∞v
311	NS	Mononitrogen monosulfide	²Π	C_∞v
312	PO	Phosphorus monoxide	²Π	C_∞v
313	PS	phosphorus sulfide	²Σ	C_∞v
314	VO	Vanadium monoxide	⁴Σ^-
315	NSe	Nitrogen monoselenide	²Π	C_∞v
316	AsS	Arsenic monosulfide	²Π	C_∞v
317	PSe	Phosphorus monoselenide	²Π	C_∞v
318	AsSe	Arsenic monoselenide	²Π	C_∞v
319	O₂	Oxygen diatomic	³Σ_g	D_∞h
320	O₂^-	oxygen diatomic anion	²Π	D_∞h
321	O₂^--	dioxygen dianion
322	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
323	SO	Sulfur monoxide	³Σ	C_∞v
324	SO	Sulfur monoxide	¹Σ	C_∞v
325	SO⁺	sulfur monoxide cation	²Π	C_∞v
326	S₂	Sulfur diatomic	³Σ_g	D_∞h
327	SeO	Selenium monoxide	³Σ	C_∞v
328	Se₂	Selenium diatomic	³Σ_g	D_∞h
329	LiOH	lithium hydroxide	¹Σ	C_∞v
330	BeOH	beryllium monohydroxide	²A^'	C_s
331	BeOH	beryllium monohydroxide	²Σ	C_∞v
332	HBO	Boron hydride oxide	¹Σ	C_∞v
333	HBS	hydrogen boron sulfide	¹Σ	C_∞v
334	COH	Hydroxymethylidyne
335	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
336	HCO	Formyl radical	²A^'	C_s
337	HCO^-	formyl anion	¹A^'	C_s
338	HCO⁺	Formyl cation	¹Σ	C_∞v
339	HNO	Nitrosyl hydride	¹A^'	C_s
340	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
341	NOH	Hydroxyimidogen	³A^"	C_s
342	NOH⁺	O-protonated nitric oxide	²A^'	C_s
343	HO₂	Hydroperoxy radical	²A^"	C_s
344	HO₂⁺	Hydroperoxy cation	³A^"	C_s
345	HSO⁺	Sulfur Monoxide, S-protonated
346	SOH	Sulfur Hydroxide
347	SOH⁺	Sulfur Monoxide, protonated
348	H₂CO	Formaldehyde	¹A₁	C_2v
349	H₂CO^-	formaldehyde anion	²A^'	C_s
350	H₂CO^-	formaldehyde anion
351	H₂CO⁺	formaldehyde cation	²B₂	C_2v
352	H₂CS	Thioformaldehyde	¹A₁	C_2v
353	H₂CS^-	thioformaldehyde anion
354	H₂CS^-	thioformaldehyde anion
355	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
356	H₂CSe	Selenoformaldehyde
357	H₂NO	nitroxide	²B₁	C_2v
358	H₂NO	nitroxide	²A^'	C_s
359	H₂O₂	Hydrogen peroxide	¹A	C₂
360	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
361	H₂OO	water oxide
362	HOSH	hydrogen thioperoxide
363	H₂S₂	Disulfane	¹A	C₂
364	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
365	H₂Se₂	hydrogen diselenide
366	CH₂OH	Hydroxymethyl radical	²A	C₁
367	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
368	CH₃O^-	methoxy anion	¹A₁	C_3v
369	CH₃O⁺	Methoxy cation	³A₁	C_3v
370	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
371	NH₂OH	hydroxylamine	¹A^'	C_s
372	NH₂OH⁺	Hydroxylamine cation
373	NH₂SH	Thiohydroxylamine
374	NH₂SH	Thiohydroxylamine
375	NH₃S	sulfidoazane
376	CH₃OH	Methyl alcohol	¹A^'	C_s
377	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
378	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
379	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
380	CH₃SH	Methanethiol	¹A^'	C_s
381	CH₃SH⁺	Methanethiol cation	²A^"	C_s
382	SiH₃OH	silanol
383	NH₂OH₂⁺	protonated hydroxylamine
384	NH₃OH⁺	N-protonated hydroxylamine
385	H₂OH₂O	water dimer	¹A^'	C_s
386	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
387	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
388	LiF	lithium fluoride	¹Σ	C_∞v
389	LiCl	lithium chloride	¹Σ	C_∞v
390	NaF	sodium fluoride	¹Σ	C_∞v
391	NaF⁺	sodium fluoride cation	²Σ	C_∞v
392	NaCl	Sodium Chloride	¹Σ	C_∞v
393	LiBr	Lithium Bromide	¹Σ	C_∞v
394	LiF⁺	lithium fluoride cation	²Π	C_∞v
395	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
396	TiCl	Titanium Monochloride	⁴Σ	C_∞v
397	ZnF	Zinc monofluoride	²Σ	C_∞v
398	BF	Boron monofluoride	¹Σ	C_∞v
399	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
400	AlCl	Aluminum monochloride	¹Σ	C_∞v
401	ScF	Scandium monofluoride	¹Σ	C_∞v
402	GaF	Gallium monofluoride	¹Σ	C_∞v
403	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
404	AlBr	Aluminum monobromide
405	GaCl	Gallium monochloride	¹Σ_G	C_∞v
406	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
407	GaBr	Gallium monobromide
408	CF	Fluoromethylidyne	²Π	C_∞v
409	SiF	silicon monofluoride	²Π	C_∞v
410	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
411	SiCl	Clorosilylidyne	²Π	C_∞v
412	CBr	Carbon monobromide	²Π	C_∞v
413	GeF	Germanium monofluoride	²Π	C_∞v
414	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
415	GeCl	Germanium monochloride	²Π	C_∞v
416	GeCl⁺	Germanium monochloride cation
417	SiBr	Silicon monobromide	²Π	C_∞v
418	SiBr⁺	Silicon monobromide cation
419	NCl	nitrogen monochloride	³Σ	C_∞v
420	AsF	Arsenic monofluoride	³Σ	C_∞v
421	AsCl	Arsenic monochloride	³Σ	C_∞v
422	PBr	Phosphorus monobromide
423	FO	Oxygen monofluoride	²Π	C_∞v
424	ClO	Monochlorine monoxide	²Π	C_∞v
425	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
426	SF	Monosulfur monofluoride	²Π	C_∞v
427	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
428	SCl	sulfur monochloride	²Π	C_∞v
429	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
430	BrO	Bromine monoxide	²Π	C_∞v
431	BrO⁺	Bromine monoxide cation
432	SeF	Selenium monofluoride	²Π	C_∞v
433	SBr	Sulfur monobromide radical
434	SBr⁺	Sulfur monobromide cation
435	SeCl	Selenium monochloride	²Π	C_∞v
436	SeBr	Selenium monobromide
437	BrCl	Bromine monochloride	¹Σ	C_∞v
438	F₂	Fluorine diatomic	¹Σ_g	D_∞h
439	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
440	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
441	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
442	ClF⁺	clorine monofluoride cation	²Π	C_∞v
443	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
444	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
445	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
446	BrF	Bromine monofluoride	¹Σ	C_∞v
447	Br₂	Bromine diatomic	¹Σ_g	D_∞h
448	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
449	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
450	HCF	Fluoromethylene	¹A^'	C_s
451	HCF	Fluoromethylene	³A^"	C_s
452	HSiF	fluorosilylene
453	HSiCl	Chlorosilylene
454	HSiBr	monobromosilylene
455	HOF	Hypofluorous acid	¹A^'	C_s
456	HOCl	hypochlorous acid	¹A^'	C_s
457	HOCl⁺	hypochlorous acid cation
458	HOBr	Hypobromous acid	¹A^'	C_s
459	F₂H⁺	Fluorine, protonated	¹A^'	C_s
460	ClFH⁺	Chlorine fluoride, F-protonated
461	FClH⁺	Chlorine fluoride, Cl-protonated
462	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
463	CH₂Br	bromomethyl radical
464	CH₂F	fluoromethyl radical	²A	C_s
465	CH₂F⁺	fluoromethyl cation
466	CH₂Cl⁺	chloromethyl cation
467	CH₂Cl	chloromethyl radical	²A^'	C_s
468	CH₂Cl	chloromethyl radical	²B₁	C_2v
469	NH₂Cl	chloramine	¹A^'	C_s
470	CH₃F⁺	methyl fluoride cation
471	CD₃F	methylfluoride-d3	¹A₁	C_3v
472	CH₃F	Methyl fluoride	¹A₁	C_3v
473	CH₃Cl	Methyl chloride	¹A₁	C_3v
474	CH₃Cl⁺	Methyl chloride cation
475	SiH₃F	monofluorosilane	¹A₁	C_3v
476	SiH₃Cl	chlorosilane	¹A₁	C₁
477	CH₃Br	methyl bromide	¹A₁	C_3v
478	GeH₃F	monofluorogermane
479	GeH₃Cl	monochlorogermane
480	SiH₃Br	bromosilane	¹A₁	C_3v
481	NH₃Cl⁺	protonated monochloroammonia
482	CH₃ClH⁺	methyl chloride, protonated
483	NH₄Cl	Ammonium chloride
484	LiNe⁺	Lithium Neon cation
485	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
486	Ar₂	Argon diatomic	¹S_g	D_∞h
487	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
488	Li₃	Lithium trimer	²B₂	C_2v
489	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
490	C₃	carbon trimer	¹Σ_g	D_∞h
491	C₃	carbon trimer	¹A₁	C_2v
492	SiC₂	Silicon dicarbide
493	C₃H₃	cyclopropenyl radical	²A^'	C_s
494	C₃H₄	cyclopropene	¹A₁	C_2v
495	CH₂CCH₂	allene	¹A₁	D_2d
496	CH₃CCH	propyne	¹A^'	C_3v
497	C₃H₅	Allyl radical	²A₂	C_2v
498	C₃H₅	Allyl radical	²A^"	C_s
499	C₃H₆	Cyclopropane	¹A₁^'	D_3h
500	CH₂CHCH₃	Propene	¹A^'	C_s

count

Species

Name

State

Conformation

Hydrogen atom

¹S

K_h

H^-

Hydrogen atom anion

²S

K_h

H₂

Hydrogen diatomic

¹Σ_g

D_∞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

BeH

beryllium monohydride

²Σ

C_∞v

MgH

magnesium monohydride

²Σ

C_∞v

TiH

Titanium monohydride

⁴Φ

C_∞v

ZnH⁺

Zinc, protonated

BeH₂⁺

Beryllium dihydride cation

MgH₂

magnesium dihydride

¹Σ_g

D_∞h

Aluminum atom

²P

K_h

Al^-

Aluminum atom anion

³P

K_h

Al⁺

Aluminum atom cation

¹S

K_h

Scandium atom

²D

K_h

Sc⁺

Scandium cation

³D

K_h

Gallium atom

²P

Ga^-

Gallium atom anion

³P

O_h

Ga⁺

Gallium atom cation

¹S

Boron monohydride

¹Σ

C_∞v

Boron monohydride

³Π

C_∞v

ScH

Scandium monohydride

¹Σ

C_∞v

ScH⁺

Scandium monohydride cation

²Σ

C_∞v

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

¹A₁^'

D_3h

AlH₃^-

aluminum trihydride anion

C_3v

ScH₃

Scandium trihydride

¹A₁^'

D_3h

ScH₃

Scandium trihydride

¹A₁

C_3v

BH₄

borohydride

²B₂

C_2v

BH₄^-

borohydride anion

¹A₁

T_d

Carbon atom

³P₀

K_h

C^-

Carbon atom anion

²D

K_h

Silicon atom

³P

K_h

Silicon atom

¹S

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

SiH⁺

silicon monohydride cation

¹Σ

C_∞v

GeH

germylidene

²Π

C_∞v

GeH⁺

Germaniun monohyrdide cation

¹Σ

C_∞v

CH₂

Methylene

³B₁

C_2v

CH₂

Methylene

³Σ_G

D_∞h

CH₂

Methylene

¹A₁

C_2v

CH₂^-

methylene anion

²B₁

C_2v

CH₂⁺

methylene cation

²A₁

C_2v

CH₂⁺

methylene cation

²Π

D_∞h

GeH₂

germylene

¹A₁

C_2v

CH₃

Methyl radical

²A₁

D_3h

CH₃^-

methyl anion

¹A₁

C_3v

CH₃⁺

methyl cation

¹A₁^'

D_3h

SiH₃

Silyl radical

²A₁

C_3v

SiH₃⁺

Silyl cation

¹A₁^'

D_3h

GeH₃

Germyl radical

²A₁

C_3v

GeH₃⁺

germyl cation

¹A₁^'

D_3h

CH₄

Methane

¹A₁

T_d

CH₄^-

Methane anion

²A₁

T_d

CH₄^-

Methane anion

²A₁

C_3v

SiH₂D₂

silane-d2

SiH₄

Silane

¹A₁

T_d

GeH₄

Germane

¹A₁

T_d

SiH₅⁺

Silane, protonated

Nitrogen atom

⁴S

K_h

Phosphorus atom

⁴S

K_h

Vanadium atom

⁴F

K_h

V⁺

Vanadium atom cation

⁵D

K_h

Arsenic atomic

⁴S

K_h

As^-

Arsenic anion

³P

K_h

As⁺

Arsenic cation

³P

K_h

phosphorus monohydride

³Σ^-

C_∞v

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

NH₃^-

Ammonia anion

²A₁

C_3v

NH₃⁺

ammonia cation

²A₂^"

D_3h

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

100

Sulfur atom

³P

K_h

101

Sulfur atom

102

S^-

Sulfur atom anion

²P

K_h

103

S⁺

Sulfur atom cation

⁴S

K_h

104

Selenium atom

³P

K_h

105

Se^-

Selenium atom anion

²P

K_h

106

Se⁺

Selenium atom cation

⁴S

K_h

107

Hydroxyl radical

²Π

C_∞v

108

OH^-

hydroxide anion

¹Σ

C_∞v

109

OH⁺

hydoxyl cation

³Σ

C_∞v

110

Mercapto radical

²Π

C_∞v

111

HS^-

mercapto anion

¹Σ

C_∞v

112

HS⁺

sulfur monohydride cation

³Σ

C_∞v

113

CrH

Chromium hydride

⁶Σ

C_∞v

114

CrH⁺

Chromium hydride cation

⁵Σ

C_∞v

115

HSe

Selenium monohydride

²Π

C_∞v

116

HSe^-

selenium monohydride anion

¹Σ

C_∞v

117

HSe⁺

selenium monohydride cation

³Σ

C_∞v

118

H₂O

Water

¹A₁

C_2v

119

H₂O^-

water anion

²A₁

C_2v

120

H₂O^-

water anion

²A^'

C_s

121

H₂O⁺

water cation

²B₁

C_2v

122

HDO

Water-d1

¹A₁

C_2v

123

H₂S

Hydrogen sulfide

¹A₁

C_2v

124

H₂S⁺

Hydrogen sulfide cation

²B₁

C_2v

125

H₂Se

Hydrogen selenide

¹A₁

C_2v

126

H₂Se⁺

Hydrogen selenide cation

²B₁

C_2v

127

H₃O⁺

hydronium cation

¹A₁

C_3v

128

H₃S⁺

Sulfonium cation

¹A₁

C_3v

129

H₃Se⁺

Hydrogen Selenide, protonated

¹A₁

C_3v

130

Fluorine atom

²P

K_h

131

F^-

Fluorine atom anion

¹S

K_h

132

F⁺

Fluorine atom cation

³S

K_h

133

F⁺

Fluorine atom cation

¹D

K_h

134

Chlorine atom

²P

K_h

135

Cl^-

Chlorine atom anion

¹S

K_h

136

Cl⁺

Chlorine atom cation

³P

K_h

137

Cl⁺

Chlorine atom cation

¹D

K_h

138

Bromine atom

²P

K_h

139

Br^-

Bromine atom anion

¹S

K_h

140

Br⁺

Bromine atom cation

³P

K_h

141

Hydrogen fluoride

¹Σ

C_∞v

142

HF^-

hydrogen fluoride anion

²Σ

C_∞v

143

HF⁺

hydrogen fluoride cation

²Π

C_∞v

144

HCl

Hydrogen chloride

¹Σ

C_∞v

145

HCl^-

hydrogen chloride anion

²Σ

C_∞v

146

HCl⁺

hydrogen chloride cation

²Π

C_∞v

147

HBr

hydrogen bromide

¹Σ

C_∞v

148

HBr^-

hydrogen bromide anion

²Σ

C_∞v

149

HBr⁺

hydrogen bromide cation

²Π

C_∞v

150

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

151

H₂Br⁺

protonated hydrogen bromide

²A₁

C_2v

152

Neon atom

¹S

K_h

153

Neon atom

154

Krypton atom

¹S

K_h

155

Kr⁺

Krypton cation

²P

K_h

156

HeLi⁺

Helium Lithium cation

157

NeH

neon hydrogen

²Σ

C_∞v

158

ArH⁺

Argon hydride cation

¹Σ

C_∞v

159

KrH⁺

Protonated Krypton

¹Σ

C_∞v

160

H₂Ar

H2 Ar dimer

¹Σ

C_∞v

161

NaLi

lithium sodium

¹Σ

C_∞v

162

Na₂

Sodium diatomic

¹Σ_g

D_∞h

163

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

164

Na₂⁺

sodium diatomic cation

²Σ_g

D_∞h

165

Be₂

Beryllium diatomic

¹Σ_g

D_∞h

166

BeMg

Beryllium Magnesium

¹Σ

C_∞v

167

LiB

Lithium boride

³Π

C_∞v

168

LiAl

Lithium Aluminum

169

NaAl

Sodium aluminum

¹Σ

C_∞v

170

BeB

Beryllium monoboride

²Π

C_∞v

171

B₂

Boron diatomic

³Σ_g

D_∞h

172

B₂

Boron diatomic

¹Σ_g

D_∞h

173

B₂

Boron diatomic

⁵Σ_u

D_∞h

174

B₂⁺

Boron diatomic cation

²Π

D_∞h

175

BAl

Boron Aluminum

³Σ

C_∞v

176

BGa

Boron Gallium

³Σ

C_∞v

177

AlGa

Aluminum Gallium

³Σ

C_∞v

178

AlGa

Aluminum Gallium

¹Σ

C_∞v

179

Ga₂

Gallium diatomic

³P_iu

180

HBBH

Diborane(2)

³Σ_G

D_∞h

181

B₂H₄

Diborane(4) D2d

¹A₁

D_2d

182

HBHHBH

Diborane(4) C2V

¹A₁

C_2v

183

B₂H₆

Diborane

¹A_g

D_2h

184

B₂H₆⁺

Diborane cation

185

Al₂H₆

dialane

¹A_G

D_2h

186

Ga₂H₆

digallane

¹A_G

D_2h

187

BeC

Beryllium Carbide

³Σ^-

C_∞v

188

BeC

Beryllium Carbide

189

AlC

Aluminum carbide

⁴Σ

C_∞v

190

BSi

Boron silicide

⁴Σ

C_∞v

191

BSi

Boron silicide

²Σ

C_∞v

192

C₂

Carbon diatomic

¹Σ_g⁺

D_∞h

193

C₂

Carbon diatomic

³Σ_g^-

194

C₂⁺

carbon diatomic cation

⁴Σ_g

D_∞h

195

SiC

silicon monocarbide

³Σ

C_∞v

196

SiC

silicon monocarbide

¹Σ

C_∞v

197

GeC

Germanium monocarbide

¹Σ

C_∞v

198

SiGe

Silicon Germanium

199

C₂H

Ethynyl radical

²Σ

C_∞v

200

C₂H^-

Ethynyl anion

¹Σ

C_∞v

201

C₂H₂

Acetylene

¹Σ_g

D_∞h

202

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

203

C₂H₂⁺

acetylene cation

204

H₂CC^-

vinylidene anion

205

HCCH^-

acetylene anion

206

HCCH^-

acetylene anion

207

Si₂H₂

disilyne

208

Si₂H₂

disilyne

209

Si₂H₂

disilyne

210

Si₂H₂

disilyne

211

CH₃Li

methyl lithium

¹A₁

C_3v

212

CH₂BH

methyleneborane

¹A₁

C_2v

213

C₂H₃

vinyl

²A^'

C_s

214

C₂H₃^-

vinyl anion

¹A^'

C_s

215

C₂H₃⁺

vinyl cation

¹A₁

C2V bridging H

216

C₂H₃⁺

vinyl cation

¹A₁

C2V HCCH2

217

C₂H₄

Ethylene

¹A_g

D_2h

218

C₂H₄^-

Ethylene anion

²A_g

C_2h

219

C₂H₄⁺

Ethylene cation

²B₃

D₂

220

Si₂H₄

Disilene

221

Si₂H₄

Disilene

222

Si₂H₄

Disilene

223

CH₃BH₂

methylborane

¹A^'

C_s

224

C₂H₅

Ethyl radical

²A^'

C_s

225

C₂H₆

Ethane

¹A_1g

D_3d

226

Si₂H₆

disilane

¹E_u

D_3d

227

LiN

Lithium Nitride

³Σ

C_∞v

228

LiP

Lithium monophosphide

229

LiP

Lithium monophosphide

230

BeN⁺

Beryllium mononitride cation

³Σ

C_∞v

231

BeN⁺

Beryllium mononitride cation

¹Σ

C_∞v

232

MgN

Magnesium Nitride

233

MgN

Magnesium Nitride

234

Boron monophosphide

³Π

C_∞v

235

Boron monophosphide

¹Σ

C_∞v

236

AlP

Aluminum monophosphide

³Σ

C_∞v

237

AlP

Aluminum monophosphide

³Π

C_∞v

238

AlP

Aluminum monophosphide

¹Σ

C_∞v

239

GaP

Gallium monophosphide

³Σ

C_∞v

240

GaP

Gallium monophosphide

¹Σ

C_∞v

241

GaAs

Gallium arsenide

³Π

242

GaAs

Gallium arsenide

¹Σ

243

boron nitride

³Π

C_∞v

244

boron nitride

¹Σ

C_∞v

245

Cyano radical

²Σ

C_∞v

246

CN^-

cyanide anion

¹Σ

C_∞v

247

SiP

Silicon monophosphide

²Π

C_∞v

248

N₂

Nitrogen diatomic

¹Σ_g

D_∞h

249

N₂

Nitrogen diatomic

250

N₂^-

nitrogen diatomic anion

²Π_g

D_∞h

251

N₂⁺

diatomic nitrogen cation

²Σ_g

D_∞h

252

Phosphorus mononitride

¹Σ

C_∞v

253

P₂

Phosphorus diatomic

¹Σ_g

D_∞h

254

HCN

Hydrogen cyanide

¹Σ

C_∞v

255

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

256

HNC⁺

hydrogen isocyanide cation

257

HCP⁺

Phosphaethyne cation

258

NNH⁺

Dinitrogen monohydride cation

¹Σ

C_∞v

259

LiNH₂

lithium amide

260

HBNH

Boranimine

¹Σ

C_∞v

261

H₂NN

Isodiazene

262

N₂H₂

(E)-diazene

¹A_g

C_2h

263

N₂H₂

(Z)-Diazene

¹A₁

C_2v

264

N₂H₂⁺

trans-diazene cation

²A_G

C_2h

265

CH₂NH

Methanimine

¹A^'

C_s

266

CH₂NH⁺

Methanimine cation

267

CHNH₂

aminomethylene

268

CHNH₂⁺

Aminocarbene cation

269

CH₂PH

Phosphaethene

¹A^'

C_s

270

BH₂NH₂

Boranamine

271

CH₂NH₂⁺

methyleneamine cation

¹A₁

C_2v

272

N₂H₄

Hydrazine

¹A

C₂

273

N₂H₄⁺

hydrazine cation

²A_G

C_2h

274

CH₃NH₂

methyl amine

¹A^'

C_s

275

CH₃NH₂⁺

methyl amine cation

²A^'

C_s

276

SiH₃NH₂

Silane, amino

277

N₂H₅⁺

protonated hydrazine

¹A^'

C_s

278

BH₃PH₃

borane phosphine

279

BH₃NH₃

borane ammonia

¹A₁

C_3v

280

CH₃NH₃

methyl ammonium radical

²A₁

C_3v

281

CH₃PH₃⁺

methyl phosphine, protonated

¹A₁

C_3v

282

NH₃NH₃

Ammonia Dimer

¹A_g

C_2h

283

NH₃NH₃

Ammonia Dimer

¹A^'

C_s

284

N₂H₇⁺

ammonia ammonium dimer

285

LiO

lithium oxide

²Σ

C_∞v

286

LiS

Lithium monosulfide

²Π

C_∞v

287

LiS⁺

Lithium sulfide cation

³Σ

C_∞v

288

NaO

sodium monoxide

²Σ

C_∞v

289

NaS

Sodium sulfide

²Π

C_∞v

290

LiSe

Lithium monoselenide

291

boron monoxide

²Σ

C_∞v

292

ScO

Scandium monoxide

²Σ

C_∞v

293

GaO

Gallium monoxide

²Σ

C_∞v

294

GaS

Gallium monosulfide

295

Carbon monoxide

¹Σ

C_∞v

296

CO^-

carbon monoxide anion

²Π

C_∞v

297

CO⁺

carbon monoxide cation

²Σ

C_∞v

298

SiO

Silicon monoxide

¹Σ

C_∞v

299

SiS

silicon monosulfide

¹Σ

C_∞v

300

TiO

Titanium monoxide

³Δ

C_∞v

301

CSe

Carbon monoselenide

¹Σ

C_∞v

302

GeO

Germanium monoxide

¹Σ

C_∞v

303

GeO⁺

Germanium monoxide cation

²Σ

C_∞v

304

GeS

Germanium monosulfide

¹Σ

C_∞v

305

SiSe

Silicon Monoselenide

306

SiSe⁺

Silicon Monoselenide cation

307

GeSe

Germanium monoselenide

308

Nitric oxide

²Π

C_∞v

309

NO^-

nitric oxide anion

³Σ

C_∞v

310

NO⁺

nitric oxide cation

¹Σ

C_∞v

311

Mononitrogen monosulfide

²Π

C_∞v

312

Phosphorus monoxide

²Π

C_∞v

313

phosphorus sulfide

²Σ

C_∞v

314

Vanadium monoxide

⁴Σ^-

315

NSe

Nitrogen monoselenide

²Π

C_∞v

316

AsS

Arsenic monosulfide

²Π

C_∞v

317

PSe

Phosphorus monoselenide

²Π

C_∞v

318

AsSe

Arsenic monoselenide

²Π

C_∞v

319

O₂

Oxygen diatomic

³Σ_g

D_∞h

320

O₂^-

oxygen diatomic anion

²Π

D_∞h

321

O₂^--

dioxygen dianion

322

O₂⁺

diatomic oxygen cation

²Π_g

D_∞h

323

Sulfur monoxide

³Σ

C_∞v

324

Sulfur monoxide

¹Σ

C_∞v

325

SO⁺

sulfur monoxide cation

²Π

C_∞v

326

S₂

Sulfur diatomic

³Σ_g

D_∞h

327

SeO

Selenium monoxide

³Σ

C_∞v

328

Se₂

Selenium diatomic

³Σ_g

D_∞h

329

LiOH

lithium hydroxide

¹Σ

C_∞v

330

BeOH

beryllium monohydroxide

²A^'

C_s

331

BeOH

beryllium monohydroxide

²Σ

C_∞v

332

HBO

Boron hydride oxide

¹Σ

C_∞v

333

HBS

hydrogen boron sulfide

¹Σ

C_∞v

334

COH

Hydroxymethylidyne

335

COH⁺

Carbon Monoxide, protonated

¹Σ

C_∞v

336

HCO

Formyl radical

²A^'

C_s

337

HCO^-

formyl anion

¹A^'

C_s

338

HCO⁺

Formyl cation

¹Σ

C_∞v

339

HNO

Nitrosyl hydride

¹A^'

C_s

340

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

341

NOH

Hydroxyimidogen

³A^"

C_s

342

NOH⁺

O-protonated nitric oxide

²A^'

C_s

343

HO₂

Hydroperoxy radical

²A^"

C_s

344

HO₂⁺

Hydroperoxy cation

³A^"

C_s

345

HSO⁺

Sulfur Monoxide, S-protonated

346

SOH

Sulfur Hydroxide

347

SOH⁺

Sulfur Monoxide, protonated

348

H₂CO

Formaldehyde

¹A₁

C_2v

349

H₂CO^-

formaldehyde anion

²A^'

C_s

350

H₂CO^-

formaldehyde anion

351

H₂CO⁺

formaldehyde cation

²B₂

C_2v

352

H₂CS

Thioformaldehyde

¹A₁

C_2v

353

H₂CS^-

thioformaldehyde anion

354

H₂CS^-

thioformaldehyde anion

355

H₂CS⁺

thioformaldehyde cation

²B₂

C_2v

356

H₂CSe

Selenoformaldehyde

357

H₂NO

nitroxide

²B₁

C_2v

358

H₂NO

nitroxide

²A^'

C_s

359

H₂O₂

Hydrogen peroxide

¹A

C₂

360

H₂O₂

Hydrogen peroxide

¹A_g

C_2h

361

H₂OO

water oxide

362

HOSH

hydrogen thioperoxide

363

H₂S₂

Disulfane

¹A

C₂

364

H₂S₂⁺

hydrogen disulfide cation

²B_g

C_2h

365

H₂Se₂

hydrogen diselenide

366

CH₂OH

Hydroxymethyl radical

²A

C₁

367

CH₂OH⁺

hydroxymethyl cation

¹A^'

C_s

368

CH₃O^-

methoxy anion

¹A₁

C_3v

369

CH₃O⁺

Methoxy cation

³A₁

C_3v

370

H₂CSH⁺

Thioformaldehyde, protonated

¹A^'

C_s

371

NH₂OH

hydroxylamine

¹A^'

C_s

372

NH₂OH⁺

Hydroxylamine cation

373

NH₂SH

Thiohydroxylamine

374

NH₂SH

Thiohydroxylamine

375

NH₃S

sulfidoazane

376

CH₃OH

Methyl alcohol

¹A^'

C_s

377

CH₃OH^-

Methyl alcohol anion

²A^'

C_s

378

CH₃OH^-

Methyl alcohol anion

²A^'

CS eclipsed

379

CH₃OH⁺

Methyl alcohol cation

²A^"

C_s

380

CH₃SH

Methanethiol

¹A^'

C_s

381

CH₃SH⁺

Methanethiol cation

²A^"

C_s

382

SiH₃OH

silanol

383

NH₂OH₂⁺

protonated hydroxylamine

384

NH₃OH⁺

N-protonated hydroxylamine

385

H₂OH₂O

water dimer

¹A^'

C_s

386

CH₃SH₂⁺

protonated methylsulfide

¹A^'

C_s

387

H₅O₂⁺

Dihydroxonium ion

¹A

C₂

388

LiF

lithium fluoride

¹Σ

C_∞v

389

LiCl

lithium chloride

¹Σ

C_∞v

390

NaF

sodium fluoride

¹Σ

C_∞v

391

NaF⁺

sodium fluoride cation

²Σ

C_∞v

392

NaCl

Sodium Chloride

¹Σ

C_∞v

393

LiBr

Lithium Bromide

¹Σ

C_∞v

394

LiF⁺

lithium fluoride cation

²Π

C_∞v

395

MgF⁺

magnesium fluoride cation

¹Σ

C_∞v

396

TiCl

Titanium Monochloride

⁴Σ

C_∞v

397

ZnF

Zinc monofluoride

²Σ

C_∞v

398

Boron monofluoride

¹Σ

C_∞v

399

AlF

Aluminum monofluoride

¹Σ⁺

C_∞v

400

AlCl

Aluminum monochloride

¹Σ

C_∞v

401

ScF

Scandium monofluoride

¹Σ

C_∞v

402

GaF

Gallium monofluoride

¹Σ

C_∞v

403

GaF⁺

Gallium monofluoride cation

²Σ

C_∞v

404

AlBr

Aluminum monobromide

405

GaCl

Gallium monochloride

¹Σ_G

C_∞v

406

GaCl⁺

Gallium monochloride cation

²Σ

C_∞v

407

GaBr

Gallium monobromide

408

Fluoromethylidyne

²Π

C_∞v

409

SiF

silicon monofluoride

²Π

C_∞v

410

SiF⁺

silicon monofluoride cation

¹Σ

C_∞v

411

SiCl

Clorosilylidyne

²Π

C_∞v

412

CBr

Carbon monobromide

²Π

C_∞v

413

GeF

Germanium monofluoride

²Π

C_∞v

414

GeF⁺

Germanium monofluoride cation

¹Σ

C_∞v

415

GeCl

Germanium monochloride

²Π

C_∞v

416

GeCl⁺

Germanium monochloride cation

417

SiBr

Silicon monobromide

²Π

C_∞v

418

SiBr⁺

Silicon monobromide cation

419

NCl

nitrogen monochloride

³Σ

C_∞v

420

AsF

Arsenic monofluoride

³Σ

C_∞v

421

AsCl

Arsenic monochloride

³Σ

C_∞v

422

PBr

Phosphorus monobromide

423

Oxygen monofluoride

²Π

C_∞v

424

ClO

Monochlorine monoxide

²Π

C_∞v

425

ClO⁺

chlorine monoxide cation

³Σ

C_∞v

426

Monosulfur monofluoride

²Π

C_∞v

427

SF⁺

sulfur monofluoride cation

³Σ

C_∞v

428

SCl

sulfur monochloride

²Π

C_∞v

429

SCl⁺

sulfur monochloride cation

³Σ_g

C_∞v

430

BrO

Bromine monoxide

²Π

C_∞v

431

BrO⁺

Bromine monoxide cation

432

SeF

Selenium monofluoride

²Π

C_∞v

433

SBr

Sulfur monobromide radical

434

SBr⁺

Sulfur monobromide cation

435

SeCl

Selenium monochloride

²Π

C_∞v

436

SeBr

Selenium monobromide

437

BrCl

Bromine monochloride

¹Σ

C_∞v

438

F₂

Fluorine diatomic

¹Σ_g

D_∞h

439

F₂^-

flourine diatomic anion

²Σ_u

D_∞h

440

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

441

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

442

ClF⁺

clorine monofluoride cation

²Π

C_∞v

443

Cl₂

Chlorine diatomic

¹Σ_g

D_∞h

444

Cl₂^-

chlorine diatomic anion

²Σ_u

D_∞h

445

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

446

BrF

Bromine monofluoride

¹Σ

C_∞v

447

Br₂

Bromine diatomic

¹Σ_g

D_∞h

448

Br₂^-

bromine diatomic anion

²Σ_u

D_∞h

449

Br₂⁺

bromine diatomic cation

²Π_g

D_∞h

450

HCF

Fluoromethylene

¹A^'

C_s

451

HCF

Fluoromethylene

³A^"

C_s

452

HSiF

fluorosilylene

453

HSiCl

Chlorosilylene

454

HSiBr

monobromosilylene

455

HOF

Hypofluorous acid

¹A^'

C_s

456

HOCl

hypochlorous acid

¹A^'

C_s

457

HOCl⁺

hypochlorous acid cation

458

HOBr

Hypobromous acid

¹A^'

C_s

459

F₂H⁺

Fluorine, protonated

¹A^'

C_s

460

ClFH⁺

Chlorine fluoride, F-protonated

461

FClH⁺

Chlorine fluoride, Cl-protonated

462

Cl₂H⁺

Chlorine, protonated

¹A^'

C_s

463

CH₂Br

bromomethyl radical

464

CH₂F

fluoromethyl radical

²A

C_s

465

CH₂F⁺

fluoromethyl cation

466

CH₂Cl⁺

chloromethyl cation

467

CH₂Cl

chloromethyl radical

²A^'

C_s

468

CH₂Cl

chloromethyl radical

²B₁

C_2v

469

NH₂Cl

chloramine

¹A^'

C_s

470

CH₃F⁺

methyl fluoride cation

471

CD₃F

methylfluoride-d3

¹A₁

C_3v

472

CH₃F

Methyl fluoride

¹A₁

C_3v

473

CH₃Cl

Methyl chloride

¹A₁

C_3v

474

CH₃Cl⁺

Methyl chloride cation

475

SiH₃F

monofluorosilane

¹A₁

C_3v

476

SiH₃Cl

chlorosilane

¹A₁

C₁

477

CH₃Br

methyl bromide

¹A₁

C_3v

478

GeH₃F

monofluorogermane

479

GeH₃Cl

monochlorogermane

480

SiH₃Br

bromosilane

¹A₁

C_3v

481

NH₃Cl⁺

protonated monochloroammonia

482

CH₃ClH⁺

methyl chloride, protonated

483

NH₄Cl

Ammonium chloride

484

LiNe⁺

Lithium Neon cation

485

Ne₂⁺

Neon diatomic cation

²Σ_u

D_∞h

486

Ar₂

Argon diatomic

¹S_g

D_∞h

487

Ar₂⁺

Argon diatomic cation

²Σ_u

D_∞h

488

Li₃

Lithium trimer

²B₂

C_2v

489

Li₃⁺

Lithium trimer cation

¹A₁^'

D_3h

490

C₃

carbon trimer

¹Σ_g

D_∞h

491

C₃

carbon trimer

¹A₁

C_2v

492

SiC₂

Silicon dicarbide

493

C₃H₃

cyclopropenyl radical

²A^'

C_s

494

C₃H₄

cyclopropene

¹A₁

C_2v

495

CH₂CCH₂

allene

¹A₁

D_2d

496

CH₃CCH

propyne

¹A^'

C_3v

497

C₃H₅

Allyl radical

²A₂

C_2v

498

C₃H₅

Allyl radical

²A^"

C_s

499

C₃H₆

Cyclopropane

¹A₁^'

D_3h

500

CH₂CHCH₃

Propene

¹A^'

C_s

501

C₃H₇

n-Propyl radical

²A^"

C₁

502

C₃H₇⁺

cyclopropane, protonated

503

CH₃CHCH₃

Isopropyl radical

²A

C₂

504

CH₃CHCH₃⁺

Isopropyl cation

¹A

C₂

505

C₃H₈

Propane

¹A₁

C_2v

506

Si₃H₈

trisilane

507

LiCN

lithium cyanide

¹Σ

C*V LiCN

508

LiCN

lithium cyanide

¹A^'

C_s

509

LiCN

lithium cyanide

¹Σ

C*V LiNC

510

NaCN

Sodium Cyanide

¹Σ

C_∞v

511

NaCN

Sodium Cyanide

¹A

C_s

512

NaCN

Sodium Cyanide

¹Σ

C_∞v

513

ZnCN

Zinc monocyanide

²Σ

C_∞v

514

ZnNC

Zinc isocyanide

²Σ

C_∞v

515

AlCN

Aluminum monocyanide

516

AlNC

Aluminum isocyanide

517

CNN

Diazocarbene

518

N₃

azide radical

²Π_g

D_∞h

519

N₃⁺

azide cation

³Σ_g

D_∞h

520

N₃⁺

azide cation

³Σ

C_∞v

521

HCCN

cyanomethylene

³A^"

C_s

522

HCCN

cyanomethylene

³Σ

C_∞v

523

HCCN

cyanomethylene

524

HN₃

hydrogen azide

¹A^'

C_s

525

HN₃⁺

Hydrazoic acid cation

526

HNCNH

diiminomethane

¹A

C₂

527

NH₂CN

cyanamide

¹A₁

C_2v

528

HNNNH⁺

1,2-Triazadienium

529

NH₂NN⁺

hydrazoic acid, protonated

530

CH₃CN

Acetonitrile

¹A₁

C_3v

531

CH₃CN^-

acetonitrile anion

²E

C_3v

532

CH₃CN^-

acetonitrile anion

²A^'

C_s

533

CHNCH₂

2H-Azirine

534

CHNHCH

1H-Azirine

535

H₂CCNH

Ethenimine

536

H₂CNCH

methyleneaminomethylene

537

HCCNH₂

Ethynamine

538

HCNCH₂⁺

2H-Azirine cation

539

HNCNH₂⁺

diiminomethane, protonated

¹A^'

C_s

540

NCNH₃⁺

Cyanamide, protonated

¹A₁

C_3v

541

NH₂CNH⁺

cyanamide, cn protonated

542

NH₃CN⁺

cyanamide, amine protonated

543

CH₂CHNH

vinylazine

²A^"

CS cis

544

CH₂CHNH

vinylazine

²A^"

CS trans

545

C₂H₅NH⁺

Protonated Aziridine

¹A₁

C_2v

546

C₂H₆N⁺

aziridine, protonated

¹A₁

C_2v

547

CH₃CH₂NH₂

Ethylamine

548

CH₃PHCH₃

dimethylphosphine

¹A^'

C_s

549

(CH₃)₂NH₂⁺

dimethylammonium cation

¹A₁

C_2v

550

CH₃CH₂NH₃⁺

ethylamine, protonated

¹A^'

C_s

551

Li₂O

dilithium oxide

¹Σ_g

D_∞h

552

Li₂S

dilithium sulfide

¹Σ_G

D_∞h

553

Li₂S

dilithium sulfide

¹A₁

C_2v

554

Na₂O

disodium monoxide

¹Σ_g

Linear

555

Na₂O

disodium monoxide

¹A₁

C_2v

556

Na₂S

Sodium sulfide

557

Na₂S

Sodium sulfide

558

LiO₂

Lithium dioxide

559

NaO₂

Sodium superoxide

560

CCO

Dicarbon monoxide

³Σ

C_∞v

561

CCO

Dicarbon monoxide

¹Π

C_∞v

562

NCO

isocyanato radical

²Π

C_∞v

563

N₂O

Nitrous oxide

¹Σ

C_∞v

564

N₂O^-

Nitrous oxide anion

²A^'

C_s

565

CO₂

Carbon dioxide

¹Σ_g

D_∞h

566

OCS

Carbonyl sulfide

¹Σ

C_∞v

567

CS₂

Carbon disulfide

¹Σ_g

D_∞h

568

CS₂^-

Carbon disulfide anion

²A₁

C_2v

569

TiO₂

Titanium dioxide

¹A₁

C_2v

570

SiS₂

Silicon disulfide

¹Σ_G

D_∞h

571

GeO₂

Germanium dioxide

¹Σ_g

D_∞h

572

OCSe

Carbonyl selenide

¹Σ

C_∞v

573

SCSe

Carbon sulfide selenide

574

CSe₂

Carbon diselenide

¹A₁

D_∞h

575

NO₂

Nitrogen dioxide

²A₁

C_2v

576

NO₂⁺

Nitrogen dioxide cation

¹Σ_G

D_∞h

577

NSO

sulfinyl amidogen

578

SNO

Nitrogen oxide sulfide

579

O₃

Ozone

¹A₁

C_s

580

SO₂

Sulfur dioxide

¹A₁

C_2v

581

SSO

Disulfur monoxide

¹A^'

C_s

582

S₃

Sulfur trimer

¹A₁

C_2v

583

S₃

Sulfur trimer

584

S₃⁺

Sulfur trimer cation

²B₂

C_2v

585

SeO₂

Selenium dioxide

¹A₁

C_2v

586

SeO₂⁺

Selenium dioxide cation

²A₁

C_2v

587

HCCO

ketenyl radical

²Π

C_∞v

588

HCCO

ketenyl radical

²A^"

C_s

589

HCNO

fulminic acid

¹Σ

C_∞v

590

HCNO

fulminic acid

¹A^'

C_s

591

HNCS

Isothiocyanic acid

592

HSCN

thiocyanic acid

¹A^'

C_s

593

HNNO⁺

Nitrous oxide, N-protonated

¹A^'

C_s

594

NNOH⁺

Nitrous Oxide, O-protonated

¹A^'

C_s

595

HOCO

Hydrocarboxyl radical

¹A^'

cis

596

HOCO

Hydrocarboxyl radical

¹A^'

trans

597

O₃H⁺

protonated ozone

¹A^'

C_s

598

O₃H⁺

protonated ozone

599

SO₂H⁺

protonated sulfur dioxide

¹A^'

C_s

600

C₂H₂O

Oxirene

¹A₁

C_2v

601

CH₂CO

Ketene

¹A₁

C_2v

602

CH₂CS

Thioketene

603

Be(OH)₂

Beryllium hydroxide

604

NH₂NO

Nitrosamide

¹A

C₁

605

H₂COO

Dioxymethyl radical

²A^'

C_s

606

H₂COO⁺

dioxymethyl cation

²A^'

C_s

607

HCOOH

Formic acid

¹A^'

C_s

608

HCOOH

Formic acid

609

HSSSH

trisulfane

¹A^'

C_s

610

CH₂BOH

hydroxy(methylene)borane

¹A^'

C_s

611

BH₃CO

Borane carbonyl

¹A₁

C_3v

612

CH₃BO

Borane, methyloxo-

¹A₁

C_3v

613

CH₂COH⁺

ketene, protonated

614

CH₂NOH

formaldoxime

¹A^'

C_s

615

CH₃NO

nitrosomethane

¹A^'

C_s

616

CHONH₂

formamide

¹A^'

Planar

617

CHONH₂

formamide

¹A

Non-Planar

618

CNOH₃

1,2-oxaziridine

¹A

C₁

619

HOCHNH

hydroxymethylimine

¹A^'

CS H all up

620

HOCHNH

hydroxymethylimine

¹A^'

CS CH up

621

CHSNH₂

thioformamide

622

NHCHSH

Methanimidothioic acid

623

C₂H₄O

Ethylene oxide

¹A₁

C_2v

624

C₂H₄O⁺

ethylene oxide cation

625

CH₃CHO

Acetaldehyde

¹A^'

C_s

626

CH₃CHO⁺

acetaldehyde cation

627

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

628

C₂H₄S

Thiirane

¹A₁

C_2v

629

CH₂CHSH

Ethenethiol

630

CH₃CHS

Thioacetaldehyde

¹A^'

C₁

631

NH₂CHOH⁺

Formamide, O-protonated

632

CH₃SSH

Hydrogen methyl disulfide

633

HSCH₂SH

Methanedithiol

634

C₂H₄OH⁺

ethylene oxide, protonated

¹A^'

C_s

635

CH₃CHOH

1-hydroxy-ethyl radical

²A

C₁

636

CH₃CHOH⁺

acetaldehyde, protonated

¹A^'

C_s

637

NH₂CH₂OH

aminomethanol

638

CH₃CH₂OH

Ethanol

¹A^'

C_s

639

CH₃OCH₃

Dimethyl ether

¹A₁

C_2v

640

CH₃CH₂SH

ethanethiol

¹A^'

C_s

641

CH₃CH₂SH

ethanethiol

¹A

C₁

642

CH₃SCH₃

Dimethyl sulfide

¹A₁

C_2v

643

CH₃SCH₃⁺

dimethyl sulfide cation

644

CH₃SeCH₃

dimethylselenide

¹A₁

C_2v

645

CuF₂

Copper difluoride

²Π_g

D_∞h

646

CNF

iso cyanogen fluoride

¹Σ

C_∞v

647

BrCN

Cyanogen bromide

¹Σ

C_∞v

648

FBO

Boron monofluoride monoxide

649

BeBr₂

Beryllium bromide

650

FCO

Carbonyl fluoride

²A^'

C_s

651

FCO⁺

Carbonyl fluoride cation

¹Σ

C_∞v

652

ClCO

carbonyl monochloride

²A^'

C_s

653

BF₂

Boron difluoride radical

²A₁

C_2v

654

FNO

Nitrosyl fluoride

¹A^'

C_s

655

ClNO

Nitrosyl chloride

¹A^'

C_s

656

FNS

Thionitrosyl fluoride

¹A^'

C_s

657

FSN

Thiazyl fluoride

¹A^'

C_s

658

OPCl

Phosphorus oxychloride

659

CF₂

Difluoromethylene

¹A₁

D_∞h

660

CFCl

chlorofluoromethylene

¹A^'

C_s

661

SiF₂

Silicon difluoride

¹A₁

C_2v

662

SiF₂⁺

Silicon difluoride cation

²A₁

C_2v

663

GeCl₂

Germanium dichloride

¹A₁

C_2v

664

CBr₂

dibromomethylene

¹A₁

C_2v

665

CBr₂

dibromomethylene

³B₁

C_2v

666

FOO⁺

Fluorine dioxide cation

667

OClO

Chlorine dioxide

²B₁

D_∞h

668

OClO^-

Chlorine dioxide anion

¹A^'

C_s

669

ClSO

Sulfur chloride oxide

²A^"

C_s

670

BrOO

Bromine dioxide

671

OBrO

Bromine dioxide radical

²B₁

C_2v

672

PF₂

Phosphorus difluoride

673

PF₂⁺

Phosphorus difluoride cation

674

FClO

chlorosyl fluoride

¹A^'

C_s

675

ClOF

Chlorine hypofluorite

¹A^'

C_s

676

SF₂

sulfur difluoride

¹A₁

C_2v

677

SeF₂

Selenium difluoride

678

SeCl₂

Selenium Dichloride

679

SBr₂

Sulfur dibromide

680

SeBr₂

Selenium dibromide

681

Br₃^-

tribromide anion

682

SFCl

Sulfur chloride fluoride

683

HCCF

Fluoroacetylene

¹Σ

C_∞v

684

HCCCl

Chloroacetylene

¹Σ

C_∞v

685

HCCBr

bromoacetylene

¹Σ

C_∞v

686

HFCO⁺

formyl fluoride cation

²A^'

C_s

687

CHCl₂

dichloromethyl radical

²B₁

C_2v

688

CHCl₂

dichloromethyl radical

²A^'

C_s

689

CHF₂

difluoromethyl radical

²A

C_s

690

CHF₂⁺

difluoromethyl cation

691

CHFCl

Chlorofluoromethyl radical

692

CHFCl⁺

Chlorofluoromethyl cation

693

CHCl₂⁺

dichloromethyl cation

694

CHBr₂

dibromomethyl radical

695

NHF₂

difluoramine

696

NHCl₂

dichloroamine

697

CH₂F₂

Methane, difluoro-

¹A₁

C_2v

698

SiH₂F₂

difluorosilane

699

CH₂Cl₂

Methylene chloride

¹A₁

C_2v

700

CH₂BrF

Methane, bromofluoro-

¹A^'

C_s

701

CH₂BrCl

Methane, bromochloro-

¹A^'

C_s

702

CH₂Br₂

dibromomethane

¹A₁

C_2v

703

SiH₂Cl₂

dichlorosilane

¹A₁

C_2v

704

CH₃MgBr

Methyl Magnesium Bromide

705

CH₂CHF

Ethene, fluoro-

¹A^'

C_s

706

CH₂FOH

fluoromethanol

707

CH₂CH₂Cl

2-chloroethyl radical

²A^'

C_s

708

CHClCH₃

1-chloroethyl radical

²A

C₁

709

C₂H₅Br

Ethyl bromide

¹A^'

C_s

710

B₄H₁₀

Tetraborane(10)

¹A₁

C_2v

711

C₄

Carbon tetramer

³Σ_g

D_∞h

712

C₄

Carbon tetramer

713

C₄H₂

Diacetylene

¹Σ_g

D_∞h

714

C₄H₂⁺

diacetlyene cation

²Π_g

D_∞h

715

C₄H₄

Tetrahedrane

716

C₄H₆

1-Methylcyclopropene

¹A

C₁

717

CHCCH₂CH₃

1-Butyne

¹A^'

C_s

718

CH₃CHCHCH₂

methylallyl radical

²A^"

C_s

719

C₄H₈

methylcyclopropane

¹A^'

C_s

720

CH₂CHCH₂CH₃

1-Butene

¹A

C₁

721

CH₃CH₂CH₂CH₃

Butane

¹A_g

Anti

722

CH₃CH₂CH₂CH₃

Butane

¹A

Gauche

723

Li₃N

trilithium nitride

¹A^'

D_3h

724

Li₃N

trilithium nitride

¹A₁

C_3v

725

C₂N₂

Cyanogen

¹Σ_g

D_∞h

726

As₄

Arsenic tetramer

¹A₁

T_d

727

HCCCN⁺

Cyanoacetylene cation

²Π

C_∞v

728

H₂CNCN

cyanamide, methylene

729

HNCCNH

Ethenediimine

730

C₃H₃N⁺

acrylonitrile cation

²A^"

C_s

731

CH₃N₃

methyl azide

¹A^'

C_s

732

NH₂CCNH₂

Diaminoacetylene

¹A

C₂

733

NH₂CH₂CN

Aminoacetonitrile

¹A^'

C_s

734

CH₃NHN₂⁺

methyl azide, protonated

¹A

C₁

735

C₂H₅CN

ethyl cyanide

¹A^'

C_s

736

C₄H₆

Bicyclo[1.1.0]butane

¹A₁

C_2v

737

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

¹A₁

C_2v

738

H₂NCHCHNH₂

diaminoethylene

739

CH₇N₃

triaminomethane

740

C₄H₈

cyclobutane

¹A₁

D_2d

741

NH₂CH₂CH₂CH₃

1-Propanamine

¹A^'

C_s

742

P(CH₃)₃

trimethylphosphine

¹A₁

C_3v

743

N(SiH₃)₃

trisilylamine

744

(CH₃)₃NH⁺

protonated trimethyl amine

745

C₃H₇NH₃⁺

n-propylamine, protonated

¹A^'

C_s

746

C₃O

Tricarbon monoxide

¹Σ

C_∞v

747

ONNO

NO dimer

¹A_g

trans C2H

748

ONNO

NO dimer

¹A₁

cis C2V

749

S₂N₂

Disulfur dinitride

¹A_G

D_2h

750

CS₃^--

Carbonotrithioate

751

NO₃^-

nitrate anion

¹A₁^'

D_3h

752

SO₃

Sulfur trioxide

¹A₁^'

D_3h

753

SO₃^--

Sulfate dianion

754

S₄

Sulfur tetramer

755

S₄

Sulfur tetramer

756

S₄

Sulfur tetramer

757

HNO₃

Nitric acid

¹A^'

C_s

758

NH₂NO₂

nitramide

¹A^'

C_s

759

C₃H₂O

Propadienal

760

C₃H₂O

Propadienal

761

C₂H₂O₂

Ethanedial

¹A_g

C_2h

762

H₂SO₃

Sulfurous acid

¹A^'

C_s

763

C₂H₃NO

Nitrosoethylene

764

CH₃NCO

methylisocyante

765

HOCH₂CN

cyanomethanol

766

CH₃NO₂

Methane, nitro-

¹A^'

C_s

767

NH₂COOH

Carbamic acid

¹A^'

C_s

768

NH₂COOH

Carbamic acid

¹A

C₁

769

H₃AlO₃

Aluminum hydroxide

770

CH₂CHCHO

Acrolein

¹A^'

C_s

771

CH₂CHCHO

Acrolein

772

NH₂CONH₂

Urea

¹A₁

C_2v

773

NH₂COOH₂⁺

Carbamic acid, O-protonated

¹A

C₁

774

NH₃COOH⁺

protonated Carbamic acid

¹A^'

C_s

775

CH₃COCH₂

Acetonyl radical

²A^"

C_s

776

CH₂C(OH)NH₂

1-amino vinyl alchohol

777

CH₃C(OH)=NH

Ethaninidic acid

778

CH₃CHNOH

Acetaldoxime

¹A^'

CS cis

779

HCONHCH₃

N-methylformamide

¹A^'

CS cis

780

HCONHCH₃

N-methylformamide

¹A^'

CS trans

781

CH₃CSNH₂

Ethanethioamide

782

CH₅N₂O⁺

urea, N-protonated

¹A^'

C_s

783

H₂NCOHNH₂⁺

urea, protonated

¹A^'

C_s

784

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

¹A_G

C_2h

785

C₃H₅OH

Cyclopropanol

¹A

C₁

786

C₃H₆O

2-Propen-1-ol

¹A

C₁

787

C₃H₆O

Acetone enol

¹A^'

C_s

788

C₃H₆O

Oxetane

¹A₁

C_2v

789

C₃H₆O

Oxetane

¹A^'

C_s

790

CH₃CH₂CHO

Propanal

¹A^'

C_s

791

CH₃COCH₃

Acetone

¹A₁

C_2v

792

CH₃SOCH₃

Dimethyl sulfoxide

¹A^'

C_s

793

HOCH₂CH₂NH₂

monoethanolamine

¹A

C1 OH in

794

C₃H₇OH

1-Propanol

795

CH₃OC₂H₅

Ethane, methoxy-

¹A^'

C_s

796

Li₂F₂

Lithium fluoride dimer

797

FNO₂

Nitryl fluoride

¹A₁

C_2v

798

FONO

Nitrosyl hypofluorite

¹A^'

CS cis

799

ClONO

chlorine nitrite

¹A^'

CS cis

800

CF₂O

Carbonic difluoride

¹A₁

C_2v

801

CF₂O⁺

Carbonic difluoride cation

802

BF₃⁺

boron trifluoride cation

²B₂

C_2v

803

BF₃⁺

boron trifluoride cation

804

BClF₂

Chlorodifluoroborane

805

ScF₃

Scandium trifluoride

¹A₁^'

D_3h

806

BCl₃

Borane, trichloro-

¹A₁^'

D_3h

807

BCl₃⁺

Boron Trichloride cation

808

GaF₃

Gallium trifluoride

¹A₁^'

D_3h

809

GaCl₃

Gallium trichloride

¹A₁^'

D_3h

810

CF₃^-

Trifluoromethyl anion

¹A₁

C_3v

811

CF₃⁺

Trifluoromethyl cation

¹A₁^'

D_3h

812

CF₂Cl

difluorochloromethyl radical

813

SiF₃

Silicon trifluoride radical

²A₁

C_3v

814

SiF₃⁺

Silicon trifluoride cation

¹A₁^'

D_3h

815

CFCl₂

dichlorofluoromethyl radical

816

CBr₃

tribromomethyl radical

817

ClO₂F

Chloryl fluoride

¹A^'

C_s

818

ClOOCl

Dichlorine dioxide

¹A

C₂

819

SSCl₂

Thiothionyl chloride

820

NF₃

Nitrogen trifluoride

¹A₁

C_3v

821

NCl₃

nitrogen trichloride

¹A₁

C_3v

822

AsCl₃

Arsenous trichloride

¹A₁

C_3v

823

NBr₃

Nitrogen Tribromide

¹A₁

C_3v

824

ClF₃

Chlorine trifluoride

¹A₁^'

D_3h

825

ClF₃

Chlorine trifluoride

¹A₁

C_2v

826

HClO₃

Chloric Acid

¹A^'

C_s

827

HClO₃

Chloric Acid

¹A

C₁

828

CHF₃

Methane, trifluoro-

¹A₁

C_3v

829

SiHF₃

trifluorosilane

830

CHBrF₂

Methane, bromodifluoro-

¹A^'

C_s

831

CHFClBr

fluorochlorobromomethane

¹A

C₁

832

CHBrCl₂

Methane, bromodichloro-

¹A^'

C_s

833

CHBr₂F

dibromofluoromethane

834

NF₃H⁺

protonated nitrogen trifluoride

¹A₁

C_3v

835

AsF₃H⁺

Arsenic trifluoride, protonated

836

C₂H₂ClF

1-chloro-1-fluoroethylene

¹A^'

C_s

837

CHFCHCl

(E)-1-chloro-2-fluoroethene

¹A^'

C_s

838

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

¹A^'

C_s

839

CHBrCHBr

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

840

CHBrCHBr

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

841

C₂H₄F₂

1,2-difluoroethane

¹A_g

C2H anti

842

C₂H₄F₂

1,2-difluoroethane

¹A

C2 gauche

843

CH₃CHF₂

Ethane, 1,1-difluoro-

¹A^'

C_s

844

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

¹A^'

C_s

845

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

¹A

C₁

846

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

¹A

C₂

847

CH₂BrCH₂Cl

1-bromo-2-chloroethane

848

CH₂BrCH₂Cl

1-bromo-2-chloroethane

849

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

¹A_g

C_2h

850

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

¹A

C₂

851

CH₂CHCH₂F

Allyl Fluoride

852

CH₂CHCH₂F

Allyl Fluoride

853

CH₃CHCHF

trans-1-Fluoro-1-propene

854

CH₂FCH₂OH

2-fluoroethanol

855

CH₂ClCH₂OH

2-Chloroethanol

¹A^'

C_s

856

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

¹A

C₁

857

CH₂FCH₂CH₃

1-Fluoropropane

¹A^'

C_s

858

CH₂FCH₂CH₃

1-Fluoropropane

859

CH₃CHFCH₃

2-Fluoropropane

¹A^'

C_s

860

CH₃CHClCH₃

Propane, 2-chloro-

¹A^'

C_s

861

B₅H₉

pentaborane9

862

C₅H₄

pentatetraene

863

C₅H₆

Propellane

¹A₁

D_3h

864

C₅H₈

Bicyclo[1.1.1]pentane

865

C₅H₈

Ethenylcyclopropane

¹A^'

C_s

866

CH₂N₄

1H-Tetrazole

¹A^'

C_s

867

C₃H₃N₂

imidazolyl radical

²B₁

C_2v

868

C₃H₃N₂^-

imidizolyl anion

¹A₁

C_2v

869

C₄H₄N

pyrrolide radical

²A₂

C_2v

870

C₄H₄N^-

pyrrolide anion

¹A₁

C_2v

871

C₃H₄N₂

1H-Imidazole

¹A^'

C_s

872

C₃H₄N₂

2H-Imidazole

¹A₁

C_2v

873

C₃H₄N₂

4H-Imidazole

¹A^'

C_s

874

C₄H₅N

Pyrrole

¹A₁

C_2v

875

C₄H₆N⁺

pyrrole, alpha-protonated

¹A^'

C_s

876

C₄H₆N⁺

pyrrole, beta-protonated

¹A^'

C_s

877

C₄H₆N⁺

pyrrole, protonated

¹A₁

C_2v

878

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

¹A^'

C_s

879

CH₃CH₂CH₂CN

Butanenitrile

¹A^'

C_s

880

NH(C₂H₅)₂

diethylamine

¹A^'

C_s

881

C₃O₂

Carbon suboxide

¹Σ_G

D_∞h

882

B₂O₃

diboron trioxide

883

B₂O₃

diboron trioxide

884

MgCO₃

Magnesium Carbonate

¹A₁

C_2v

885

BeCO₃

Beryllium Carbonate

¹A₁

C_2v

886

HSO₄^-

bisulfate anion

¹A^'

C_s

887

CHOOCHO

diformyl ether

888

C₃H₃NO

Isoxazole

¹A^'

C_s

889

C₃H₃NO

Oxazole

¹A^'

C_s

890

C₃H₃NS

Thiazole

891

C₄H₄O

Furan

¹A₁

C₂

892

CH₃COCCH

3-butyn-2-one

¹A^'

C_s

893

C₄H₄Se

selenophene

894

CH₃OCH₂CN

Methoxyacetonitrile

¹A^'

C_s

895

CH₃OCH₂CN

Methoxyacetonitrile

¹A

C₁

896

CH₃SO₂NH₂

methanesulfonamide

¹A^'

C_s

897

CH₂CHSCHCH₂

Divinyl sulfide

898

CH₃CH₂COOH

Propanoic Acid

¹A^'

C_s

899

HCOOC₂H₅

Ethyl formate

¹A^'

C_s

900

C₂H₆O₂S

Dimethyl sulfone

¹A₁

C_2v

901

C₄H₈S

Thiophene, tetrahydro-

¹A

C₁

902

C₄H₁₀O

1-Butanol

¹A^'

C_s

903

C₄H₁₀O

Ethoxy ethane

¹A₁

C_2v

904

C₄H₁₀O

Methyl propyl ether

¹A

C₁

905

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

¹A^'

C_s

906

C₄H₉SH

1-Butanethiol

907

BrONO₂

Bromine nitrate

¹A^'

C_s

908

CF₃Cl

Methane, chlorotrifluoro-

¹A₁

C_3v

909

CF₂Cl₂

difluorodichloromethane

¹A₁

C_2v

910

TiF₄

Titanium tetrafluoride

¹A₁

T_d

911

CF₃Br

Bromotrifluoromethane

¹A₁

C_3v

912

GeF₄

Germanium tetrafluoride

¹A₁

T_d

913

CCl₄

Carbon tetrachloride

¹A₁

T_d

914

CBrCl₂F

bromodichlorofluoromethane

915

CBr₂ClF

dibromochlorofluoromethane

916

CBr₂Cl₂

dibromodichloromethane

¹A₁

C_2v

917

CFBr₃

fluorotribromomethane

¹A₁

C_3v

918

CBr₃Cl

tribromochloromethane

¹A₁

C_3v

919

SiBr₄

Silicon tetrabromide

¹A₁

T_d

920

GeBr₄

Germanium tetrabromide

921

ClOF₃

Chlorine trifluoride oxide

¹A^'

C_s

922

SF₄

Sulfur tetrafluoride

¹A₁

C_2v

923

SeF₄

Selenium tetrafluoride

924

SCl₄

Sulfur tetrachloride

925

CH₂ClCCCl

1,3-dichloropropyne

926

CHCl₂CCH

3,3-dichloropropyne

927

CHCl₂CHO

dichloroacetaldehyde

928

PF₃CH₂

phosphorane, trifluoromethylene-

¹A^'

C_s

929

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

¹A

C₁

930

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

¹A^'

C_s

931

SiH₃CCl₃

(trichloromethyl)silane

¹A₁

C_3v

932

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

933

CH₂FCH₂CH₂F

1,3-difluoropropane

934

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

¹A₁

C_2v

935

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

¹A^'

C_s

936

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

¹A

C₁

937

C₂H₂N₂O

Furazan

938

CF₃PH₂

phosphine, (trifluoromethyl)-

¹A^'

C_s

939

NH₃BF₃

Amminetrifluoroboron

¹A₁

C_3v

940

C₆H₂

hexatriyne

¹Σ_g

D_∞h

941

C₆H₆

Prismane

942

C₆H₆

1,2,4,5-Hexatetraene

¹A_g

C_2h

943

C₆H₆

Benzene

¹A_1g

D_6h

944

C₆H₆

Benzvalene

¹A₁

C_2v

945

C₆H₆

Dewar Benzene

946

C₆H₆

Hexa-1,5-diene-3-yne

¹A_g

C_2h

947

C₆H₆

Trimethylenecycopropane

¹A^'

D_3h

948

C₆H₇⁺

benzene, protonated

¹A₁

C_2v

949

C₆H₈

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

¹A^'

C_2h

950

C₆H₁₀

1,5-Hexadiene

¹A_g

C₂

951

C₆H₁₀

3-Hexyne

¹A₁

C_2v

952

C₆H₁₂

(E)-hex-3-ene

¹A_G

C_i

953

C₆H₁₂

(Z)-hex-3-ene

¹A

C₂

954

C₆H₁₂

2,3-dimethylbut-1-ene

¹A^'

C₂

955

C₆H₁₂

hex-1-ene

¹A^'

C_s

956

N₃P₃

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

957

C₄H₂N₂

Fumaronitrile

¹A_g

C_2h

958

C₅H₆N⁺

Pyridinium

¹A₁

C_2v

959

MgSO₄

Magnesium Sulfate

¹A₁

C_2v

960

N₂O₄

Dinitrogen tetroxide

¹A_g

D_2d

961

C₃H₂O₃

vinylene carbonate

962

C₂H₂O₄

Oxalic Acid

¹A_g

C_2h

963

C₂H₄N₂S₂

Ethanedithioamide

¹A_G

C_2h

964

C₂H₄CO₃

Ethylene carbonate

¹A₁

C_2v

965

C₂H₄CO₃

Ethylene carbonate

¹A

C₂

966

C₂H₄O₄

Formic acid dimer

¹A_G

C_2h

967

C₅H₆O

2H-Pyran

968

C₅H₆O

Pentadienal

969

C₄H₆O₂

γ–Butyrolactone

¹A

C₁

970

C₃H₆O₃

1,3,5-Trioxane

¹A₁

C₁

971

C₃H₆S₃

1,3,5-Trithiane

¹A₁

C_3v

972

C₅H₈O

Cyclopentanone

¹A

C₂

973

C₅H₈O

Methyl cyclopropyl ketone

¹A^'

C_s

974

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

¹A

C₂

975

C₄H₈O₂

Ethyl acetate

¹A^'

C_s

976

C₅H₁₀O

2-methylbutyraldehyde

¹A

C₁

977

C₅H₁₀O

3-Pentanone

¹A₁

C_2v

978

C₄F₂

difluorobutadiyne

979

ClCOClCO

Oxalyl chloride

¹A_G

C_2h

980

B₂Cl₄

Diboron tetrachloride

¹A₁

D₂

981

C₂ClF₃

Ethene, chlorotrifluoro-

982

CF₂CCl₂

difluorodichloroethylene

¹A₁

C_2v

983

CFClCClF

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

¹A_G

C_2h

984

CFClCFCl

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

¹A₁

C_2v

985

C₂Br₄

tetrabromoethene

986

CF₃OF

Trifluoromethylhypofluorite

¹A^'

C_s

987

SiF₅^-

silicon pentafluoride anion

988

SOF₄

Sulfur tetrafluoride oxide

¹A₁

C_2v

989

PF₅

Phosphorus pentafluoride

¹A₁^'

D_3h

990

SF₅⁺

pentafluoro sulfur cation

¹A₁^'

D_3h

991

CHFClCHClF

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

¹A_G

C_i

992

CHFClCHFCl

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

¹A

C₂

993

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

994

CHCl₂CHCl₂

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

995

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

996

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

¹A^'

C_s

997

C₄H₃ClO

Furan, 2-chloro

¹A^'

C_s

998

C₄H₃ClO

Furan,3-chloro

¹A^'

C_s

999

C₄H₈O₂

Butanoic acid

¹A

C₁

1000

C₇H₇

cycloheptatrienyl radical

²A₂

C_2v

1001

C₇H₇⁺

cycloheptatrienyl cation

¹A₁^'

D_7h

1002

CH(CN)₃

tricyanomethane

1003

HN=C=C(CN)₂

Dicyanoketenimine

1004

C₅H₄O₂

furfural

¹A^'

OCCO cis

1005

C₅H₄O₂

furfural

¹A^'

OCCO trans

1006

C₆H₆O

2,5-Cyclohexadienone

¹A₁

C_2v

1007

HO₂CCHNH₂CH₂OH

Serine

¹A

C₁

1008

C₅H₈O₂

Acetylacetone

¹A

C₂

1009

C₇H₁₀

Norbornene

1010

C₆H₁₂O

Oxepane

1011

F₂CCCF₂

tetrafluoroallene

1012

CF₃COO^-

trifluoro acetate anion

¹A^'

C_s

1013

PF₆

Hexafluorophosphate neutral

²B₂

C_2v

1014

PF₆^-

Hexafluorophosphate ion

¹A_1G

O_h

1015

SF₆

Sulfur Hexafluoride

¹A_1G

O_h

1016

SeF₆

Selenium hexafluoride

¹A_1G

O_h

1017

SF₅Cl

sulfur chloropentafluoride

¹A₁

C_4v

1018

CF₃CHF₂

pentafluoroethane

¹A^'

C_s

1019

C₈H₆

Calicene

¹A₁

C_2v

1020

C₈H₈

cubane

¹A_1G

O_h

1021

C₆H₁₂N₂

Triethylenediamine

¹A₁

D₃

1022

S₄N₄

Tetrasulfur tetranitride

1023

C₆H₅CHO

benzaldehyde

¹A^'

C_s

1024

C₅H₉NO₂

Proline

¹A

C₁

1025

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

¹A_G

D_2h

1026

C₂Cl₆

hexachloroethane

¹A_1g

D_3d

1027

C₆H₄F₂

1,4-difluorobenzene

¹A_g

D_2h

1028

C₆H₄Cl₂

1,2-dichlorobenzene

¹A₁

C_2v

1029

C₆H₄Cl₂

1,3-dichlorobenzene

¹A₁

C_2v

1030

C₆H₄Cl₂

1,4-dichlorobenzene

1031

C₆H₅NO

nitrosobenzene

¹A^'

C_s

1032

C(CN)₄

tetracyanomethane

¹A₁

T_d

1033

C₃H₃N₃O₃

cyanuric acid

¹A₁^'

D_3h

1034

C₃F₆

hexafluoropropene

1035

C₈H₁₈O

1-Octanol

1036

C₁₀H₈

Azulene

¹A₁

C_2v

1037

C₁₀H₈

naphthalene

¹A_g

D_2h

1038

C₁₀H₁₀

bullvalene

1039

C₁₀H₂₂

Decane

¹A_G

C_2h

1040

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

1041

C₁₂H₈

biphenylene

¹A_g

D_2h

1042

S₂F₁₀

disulphur decafluoride

1043

C₁₃H₁₀

Fluorene

1044

C₁₄H₁₄

Bibenzyl

¹A

C₂

1045

C₆H₅COC₆H₅

benzophenone

¹A

C₂

1046

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	HD	Deuterium hydride	hd
7	H₃⁺	hydrogen trimer cation	h3+
8	He^-	Helium atom anion	he-
9	HeH	Helium hydride	heh
10	Li	Lithium atom	li
11	Li⁺	Lithium atom cation	li+
12	Na	Sodium atom	na
13	Na^-	Sodium atom anion	na-
14	Na⁺	Sodium atom cation	na+
15	K	Potassium atom	k
16	K^-	Potassium atom anion	k-
17	K⁺	Potassium atom cation	k+
18	Cu	Copper atom	cu
19	Cu^-	Copper atom anion	cu-
20	Cu⁺	Copper atom cation	cu+
21	LiH	Lithium Hydride	lih
22	LiH^-	lithium hydride anion	lih-
23	NaH	sodium hydride	nah
24	NaH^-	sodium hydride anion	nah-
25	KH	Potassium hydride	kh
26	KH⁺	Potassium hydrogen cation	kh+
27	CuH	Copper monohydride	cuh
28	Be	Beryllium atom	be
29	Be^-	Beryllium atom anion	be-
30	Be⁺	Beryllium atom cation	be+
31	Mg	Magnesium atom	mg
32	Mg^-	Magnesium atom anion	mg-
33	Mg⁺	Magnesium atom cation	mg+
34	Ca	Calcium atom	ca
35	Ca^-	Calcium atom anion	ca-
36	Ca⁺	Calcium atom cation	ca+
37	Zn	Zinc atom	zn
38	Zn^-	Zinc atom anion	zn-
39	Zn⁺	Zinc atom cation	zn+
40	BeH^-	berylium monohydride anion	beh-
41	BeH⁺	beryllium monohydride cation	beh+
42	MgH^-	magnesium monohydride anion	mgh-
43	MgH⁺	magnesium monohydride cation	mgh+
44	CaH	Calcium monohydride	cah
45	CaH⁺	Calcium monohydride cation	cah+
46	ZnH	Zinc monohydride	znh
47	BeH₂	beryllium dihydride	beh2
48	CaH₂	Calcium Hydride	cah2
49	ZnH₂	Zinc hydride	znh2
50	B	Boron atom	b
51	B^-	Boron atom anion	b-
52	B⁺	Boron atom cation	b+
53	BH^-	boron monohydride anion	bh-
54	BH⁺	boron monohydride cation	bh+
55	AlH	aluminum monohydride	alh
56	AlH^-	aluminum monohydride anion	alh-
57	AlH⁺	aluminum monohydride cation	alh+
58	BH₂	boron dihydride	bh2
59	BH₂⁺	Boron dihydride cation	bh2+
60	AlH₂	aluminum dihydride	alh2
61	AlH₂^-	aluminum dihydride anion	alh2-
62	AlH₂⁺	aluminum dihydride cation	alh2+
63	BH₃	boron trihydride	bh3
64	BH₃^-	boron trihydride anion	bh3-
65	AlH₃⁺	aluminum trihydride cation	alh3+
66	GaH₃	Gallium trihydride	gah3
67	AlH₄^-	Aluminum tetrahydride anion	alh4-
68	C^-	Carbon atom anion	c-
69	C⁺	Carbon atom cation	c+
70	Si⁺	Silicon atom cation	si+
71	Ti	Titanium atom	ti
72	Ti^-	Titanium atom anion	ti-
73	Ti⁺	Titanium atom cation	ti+
74	Sn	Tin atom	sn
75	Sn⁺	Tin cation	sn+
76	CH^-	methylidyne anion	ch-
77	CH⁺	Methylidyne cation	ch+
78	SiH^-	silicon monohydride anion	sih-
79	SiH₂	silicon dihydride	sih2
80	SiH₂^-	silicon dihydride anion	sih2-
81	SiH₂⁺	silicon dihydride cation	sih2+
82	SiH₃^-	Silyl anion	sih3-
83	CD₄	methane-d4	cd4
84	CH₂D₂	methane-d2	ch2d2
85	CH₃D	methane-d	ch3d
86	CH₄⁺	Methane cation	ch4+
87	CHD₃	methane-d3	chd3
88	SiH₄⁺	Silane cation	sih4+
89	SnH₄	Stannane	snh4
90	N^-	Nitrogen atom anion	n-
91	N⁺	Nitrogen atom cation	n+
92	P^-	Phosphorus atom anion	p-
93	P⁺	Phosphorus atom cation	p+
94	Sb	Antimony atom	sb
95	NH	Imidogen	nh
96	NH^-	Imidogen anion	nh-
97	NH⁺	imidogen cation	nh+
98	PH^-	phosphorus monohydride anion	ph-
99	PH⁺	phosphorus monohydride cation	ph+
100	SbH	Antimony monohydride	sbh
101	ND₂	Amidogen-d2	nd2
102	NH₂^-	amino anion	nh2-
103	PH₂	Phosphino radical	ph2
104	PH₂^-	Phosphino anion	ph2-
105	PH₂⁺	Phosphino cation	ph2+
106	AsH₂	Arsenic dihydride	ash2
107	AsH₂⁺	Arsenic dihydride cation	ash2+
108	ND₃	Ammonia-d3	nd3
109	SbH₃	Stibine	sbh3
110	O^-	Oxygen atom anion	o-
111	O⁺	Oxygen atom cation	o+
112	Cr	Chromium atom	cr
113	Te	Tellurium atom	te
114	Te⁺	Tellurium atom cation	te+
115	DO	Hydroxyl-d	od
116	DS	Mercapto-d	ds
117	TeH	Telluryl radical	teh
118	D₂O	Deuterium oxide	d2o
119	D₂S	Hydrogen sulfide-d2	d2s
120	H₂Te	Hydrogen Telluride	h2te
121	Mn	Manganese atom	mn
122	I	Iodine atom	iodine
123	I^-	Iodine atom anion	iodine-
124	I⁺	Iodine atom cation	iodine+
125	DF	Hydrofluoric acid-d	df
126	DCl	Hydrochloric acid-d	dcl
127	HI	Hydrogen iodide	hi
128	HI⁺	Hydrogen iodide cation	hi+
129	H₂F⁺	dihydrogen fluoride cation	h2f+
130	H₂I⁺	Iodonium	h2i+
131	Ne^-	Neon atom anion	ne-
132	Ne⁺	Neon atom cation	ne+
133	Ar	Argon atom	ar
134	Ar^-	Argon atom anion	ar-
135	Ar⁺	Argon atom cation	ar+
136	Fe	Iron atom	fe
137	Xe	Xenon atom	xe
138	NeH⁺	neon hydrogen cation	neh+
139	XeH⁺	Xenon, protonated	xeh+
140	Co	Cobalt atom	cobalt
141	Ni	Nickel atom	ni
142	Li₂	Lithium diatomic	li2
143	Li₂^-	lithium diatomic anion	li2-
144	NaLi^-	lithium sodium anion	lina-
145	NaLi⁺	lithium sodium cation	lina+
146	LiK	Lithium Potassium	lik
147	NaK	Sodium Potassium	nak
148	NaK⁺	Sodium Potassium diatomic cation	nak+
149	K₂	Potassium diatomic	k2
150	Cu₂	Copper diatomic	cu2
151	LiBe	Lithium Beryllium	libe
152	LiMg	Lithium magnesium	limg
153	NaBe	Sodium Beryllium	nabe
154	NaMg	Sodium Magnesium	namg
155	Be₂^-	Beryllium diatomic anion	be2-
156	Be₂⁺	Beryllium diatomic cation	be2+
157	Mg₂	Magnesium diatomic	mg2
158	Mg₂^-	magnesium diatomic anion	mg2-
159	Mg₂⁺	magnesium diatomic cation	mg2+
160	Ca₂	Calcium diatomic	ca2
161	B₂^-	Boron diatomic anion	b2-
162	Al₂	Aluminum diatomic	al2
163	Al₂^-	aluminum diatomic anion	al2-
164	Al₂⁺	aluminum diatomic cation	al2+
165	LiBH₄	Lithium borohydride	libh4
166	CaC	Calcium monocarbide	cac
167	BC^-	boron monocarbide anion	bc-
168	BC⁺	boron monocarbide cation	bc+
169	C₂^-	carbon diatomic anion	c2-
170	SiC^-	silicon monocarbide anion	sic-
171	SiC⁺	silicon monocarbide cation	sic+
172	Si₂	Silicon diatomic	si2
173	Si₂^-	silcon diatomic anion	si2-
174	Si₂⁺	silcon diatomic cation	si2+
175	Ge₂	Germanium diatomic	ge2
176	C₂H⁺	Ethynyl cation	c2h+
177	ZnCH₂	Zinc methylene	znch2
178	CCH₂	vinylidene	vinylidene
179	CuCH₃	monomethyl copper	cuch3
180	ZnCH₃	Zinc monomethyl	znch3
181	CH₃CH	methylmethylene	ch3ch
182	CH₂SiH₂	silaethylene	ch2sih2
183	C₂H₅^-	Ethyl anion	c2h5-
184	C₂H₅⁺	Ethyl cation	c2h5+
185	C₂H₆⁺	ethane cation	c2h6+
186	CH₃SiH₃	methyl silane	ch3sih3
187	GeH₃CH₃	methyl germane	geh3ch3
188	C₂H₇⁺	Ethane, protonated	c2h7+
189	LiN⁺	Lithium Nitride cation	lin+
190	BeN^-	Beryllium mononitride anion	ben-
191	BN^-	boron nitride anion	bn-
192	AlN^-	aluminum mononitride anion	aln-
193	AlN⁺	aluminum mononitride cation	aln+
194	BN⁺	boron nitride cation	bn+
195	AlN	Aluminum nitride	aln
196	CN⁺	Cyano cation	cn+
197	CP	Carbon monophosphide	cp
198	CP^-	carbon monophosphide anion	cp-
199	CP⁺	carbon monophosphide cation	cp+
200	SiN	Silicon nitride	sin
201	SiN^-	silicon mononitride anion	sin-
202	SiN⁺	silicon mononitride cation	sin+
203	SiP^-	Silicon monophosphide anion	sip-
204	SiP⁺	Silicon monophosphide cation	sip+
205	TiN	Titanium mononitride	tin
206	PN^-	phosphorus nitride anion	pn-
207	PN⁺	phosphorus nitride cation	pn+
208	P₂^-	phosphorus diatomic anion	p2-
209	P₂⁺	phosphorus diatomic cation	p2+
210	AsN	Arsenic mononitride	asn
211	AsP	Arsenic monophosphide	asp
212	SbN	Antimony nitride	sbn
213	As₂	Arsenic diatomic	as2
214	HNB	hydrogen nitrogen boron	hnb
215	HNC	hydrogen isocyanide	hnc
216	HCN^-	Hydrogen cyanide anion	hcn-
217	HCP	Phosphaethyne	hcp
218	NNH	Dinitrogen monohydride	nnh
219	HPO	Hydrogen phosphorus oxide	hpo
220	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
221	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
222	H₂CN⁺	hydrocyanonium cation	h2cn+
223	HCNH⁺	N-protonated HCN	hcnh+
224	P₂H₄	Diphosphine	p2h4
225	CH₃PH₂	Methyl phosphine	ch3ph2
226	CH₃NH₃⁺	protonated methylamine	ch3nh3+
227	LiO^-	lithium oxide anion	lio-
228	LiO⁺	lithium oxide cation	lio+
229	NaO^-	sodium oxide anion	nao-
230	NaO⁺	sodium oxide cation	nao+
231	KO	Potassium monoxide	ko
232	KO⁺	Potassium monoxide cation	ko+
233	CuO	Copper Monoxide	cuo
234	BeO	beryllium oxide	beo
235	BeO^-	Beryllium monoxide anion	beo-
236	BeS	beryllium sulfide	bes
237	MgO	magnesium oxide	mgo
238	MgO^-	magnesium oxide anion	mgo-
239	MgO⁺	magnesium oxide cation	mgo+
240	CaO	Calcium monoxide	cao
241	MgS	magnesium sulfide	mgs
242	MgS^-	magnesium sulfide anion	mgs-
243	MgS⁺	magnesium sulfide cation	mgs+
244	CaS	Calcium sulfide	cas
245	ZnO	zinc monoxide	zno
246	ZnS	Zinc sulfide	zns
247	BeS^-	Beryllium monosulfide anion	bes-
248	BeS⁺	Beryllium monosulfide cation	bes+
249	BO^-	boron monoxide anion	bo-
250	AlO	Aluminum monoxide	alo
251	AlO^-	Aluminum monoxide anion	alo-
252	AlO⁺	aluminum monoxide cation	alo+
253	BS	boron sulfide	bs
254	BS^-	boron monosulfide anion	bs-
255	BS⁺	boron monosulfide cation	bs+
256	AlS	Aluminum sulfide	als
257	AlS^-	aluminum monosulfide anion	als-
258	AlS⁺	aluminum monosulfide cation	als+
259	BO⁺	boron monoxide cation	bo+
260	CS	carbon monosulfide	cs
261	CS^-	carbon monosulfide anion	cs-
262	CS⁺	carbon monosulfide cation	cs+
263	SiO^-	silicon monoxide anion	sio-
264	SiO⁺	silicon monoxide cation	sio+
265	SiS^-	silicon monosulfide anion	sis-
266	SiS⁺	silicon monosulfide cation	sis+
267	CSe^-	Carbon monoselenide anion	cse-
268	CSe⁺	Carbon monoselenide cation	cse+
269	NS^-	nitrogen sulfide anion	ns-
270	NS⁺	nitrogen sulfide cation	ns+
271	PO^-	phosphorus monoxide anion	po-
272	PO⁺	phosphorus monoxide cation	po+
273	PS^-	phosphorus monosulfide anion	ps-
274	PS⁺	phosphorus monosulfide cation	ps+
275	AsO	Arsenic monoxide	aso
276	SO^-	sulfur monoxide anion	so-
277	S₂^-	sulfur diatomic anion	s2-
278	S₂⁺	sulfur diatomic cation	s2+
279	SeO^-	selenium monoxide anion	seo-
280	SeO⁺	selenium monoxide cation	seo+
281	SeS	Selenium monosulfide	ses
282	SeS^-	selenium monosulfide anion	ses-
283	SeS⁺	selenium monosulfide cation	ses+
284	TeO	Tellurium monoxide	teo
285	Se₂^-	selenium diatomic anion	se2-
286	Se₂⁺	selenium diatomic cation	se2+
287	Te₂	Tellurium diatomic	te2
288	NaOH	sodium hydroxide	naoh
289	KOH	Potassium hydroxide	koh
290	MgOH	magnesium hydroxide	mgoh
291	CaOH	Calcium monohydroxide	caoh
292	HCS	Thioformyl radical	hcs
293	HCS^-	Thioformyl anion	hcs-
294	HCS⁺	Thioformyl cation	hcs+
295	HNO^-	Nitrosyl hydride anion	hno-
296	HNS	Sulfur imide	hns
297	HNS^-	Sulfur imide anion	hns-
298	HO₂^-	Hydroperoxy anion	ho2-
299	HS₂	Thiosulfeno radical	hs2
300	HOCH	hydroxycarbene	hoch
301	CH₃O	Methoxy radical	ch3o
302	CH₃S	thiomethoxy	ch3s
303	NH₃O	Ammonia Oxide	nh3o
304	H₂POH	Phosphinous acid	h2poh
305	H₃PO	Phosphine oxide	h3po
306	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
307	CH₃SeH	Methane selenol	ch3seh
308	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
309	H₂ONH₃	Water Ammonia Dimer	h2onh3
310	LiCl^-	lithium chloride anion	licl-
311	LiCl⁺	lithium chloride cation	licl+
312	NaF^-	sodium fluoride anion	naf-
313	KF	Potassium Fluoride	kf
314	NaCl^-	sodium chloride anion	nacl-
315	NaCl⁺	sodium chloride cation	nacl+
316	KCl	Potassium Chloride	kcl
317	CuF	Copper monofluoride	cuf
318	LiBr^-	lithium bromide anion	libr-
319	LiBr⁺	lithium bromide cation	libr+
320	CuCl	Copper monochloride	cucl
321	NaBr	Sodium Bromide	nabr
322	NaBr^-	sodium bromide anion	nabr-
323	NaBr⁺	sodium bromide cation	nabr+
324	KBr	Potassium Bromide	kbr
325	LiI	Lithium Iodide	lii
326	NaI	Sodium Iodide	nai
327	KI	Potassium Iodide	ki
328	LiF^-	lithium fluoride anion	lif-
329	BeF	Beryllium monofluoride	bef
330	BeF^-	Beryllium monofluoride anion	bef-
331	BeF⁺	Beryllium monofluoride cation	bef+
332	BeCl	beryllium monochloride	becl
333	MgF	Magnesium monofluoride	mgf
334	MgF^-	magnesium fluoride anion	mgf-
335	CaF	Calcium monofluoride	caf
336	MgCl	magnesium monochloride	mgcl
337	MgCl^-	magnesium monochloride anion	mgcl-
338	MgCl⁺	magnesium monochloride cation	mgcl+
339	CaCl	calcium monochloride	cacl
340	ZnF^-	Zinc monofluoride anion	znf-
341	ZnF⁺	Zinc monofluoride cation	znf+
342	ZnCl	Zinc monochloride	zncl
343	CaBr	Calcium monobromide	cabr
344	BeCl^-	beryllium monochloride anion	becl-
345	BeCl⁺	beryllium monochloride cation	becl+
346	BF^-	Boron monofluoride anion	bf-
347	BF⁺	Boron monofluoride cation	bf+
348	AlF^-	Aluminum monofluoride anion	alf-
349	AlF⁺	Aluminum monofluoride cation	alf+
350	BCl	boron monochloride	bcl
351	BCl^-	boron monochloride anion	bcl-
352	BCl⁺	boron monochloride cation	bcl+
353	AlCl^-	aluminum monochloride anion	alcl-
354	AlCl⁺	aluminum monochloride cation	alcl+
355	BBr	Boron monobromide	bbr
356	AlI	Aluminum monoiodide	ali
357	CF^-	carbon monofluoride anion	cf-
358	CF⁺	carbon monofluoride cation	cf+
359	CCl	carbon monochloride	ccl
360	CCl^-	carbon monochloride anion	ccl-
361	CCl⁺	carbon monochloride cation	ccl+
362	SiF^-	silicon monofluoride anion	sif-
363	SiCl^-	silicon monochloride anion	sicl-
364	SiCl⁺	silicon monochloride cation	sicl+
365	NF	nitrogen fluoride	nf
366	NF^-	nitrogen monofluorine anion	nf-
367	NF⁺	nitrogen monofluoirde cation	nf+
368	NCl^-	nitrogen monochloride anion	ncl-
369	NCl⁺	nitrogen monochloride cation	ncl+
370	PF	phosphorus monofluoride	pf
371	PF^-	phosphorus monofluoride anion	pf-
372	PF⁺	phosphorus monofluoride cation	pf+
373	PCl	phosphorus chloride	pcl
374	PCl^-	phosphorus monochloride anion	pcl-
375	PCl⁺	phosphorus monochloride cation	pcl+
376	SbF	Antimony monofluoride	sbf
377	SbCl	Antimony monochloride	sbcl
378	FO^-	flourine oxide anion	fo-
379	FO⁺	fluorine monoxide cation	fo+
380	ClO^-	chlorine monoxide anion	clo-
381	SF^-	sulfur monofluoride anion	sf-
382	SCl^-	sulfur monochloride anion	scl-
383	BrO^-	Bromine monoxide anion	bro-
384	IO	Iodine monoxide	io
385	ClF^-	clorine monofluoride anion	clf-
386	BrF^-	bromine fluoride anion	brf-
387	BrF⁺	bromine fluoride cation	brf+
388	BrCl^-	bromine chloride anion	brcl-
389	BrCl⁺	bromine chloride cation	brcl+
390	IF	Iodine monofluoride	if
391	ICl	Iodine monochloride	icl
392	IBr	Iodine monobromide	ibr
393	I₂	Iodine diatomic	i2
394	I₂⁺	Iodine diatomic cation	i2+
395	HCCl	Chloromethylene	hccl
396	CHBr	bromomethylene	chbr
397	DOCl	Hypochlorous acid-d	docl
398	HOI	Hypoiodous acid	hoi
399	FHF	Hydrogen difluoride	fhf
400	FHF^-	Hydrogen difluoride anion	fhf-
401	NH₂F	monofluoroamine	nh2f
402	H₂F₂	Hydrogen fluoride dimer	h2f2
403	CD₃Cl	methyl chloride d3	cd3cl
404	CH₃I	methyl iodide	ch3i
405	SiH₃I	Silyl Iodide	sih3i
406	Ne₂	Neon diatomic	ne2
407	C₃⁺	carbon trimer cation	c3+
408	C₃H₃	Propargyl radical	propargyl
409	C₃H₃^-	Propargyl anion	c3h3-
410	C₃H₃⁺	cyclopropenyl cation	cpr+
411	C₃H₃⁺	Propargyl cation	c3h3+
412	C₃H₅⁺	Allyl cation	allyl+
413	Zn(CH₃)₂	dimethyl zinc	dmz
414	SiH₂(CH₃)₂	dimethylsilane	dms
415	KCN	Potassium cyanide	kcn
416	CuCN	Copper cyanide	cucn
417	CN₂	3H-Diazirin-3-ylidene	cn2
418	N₃^-	azide anion	n3-
419	HCNN	diazomethyl radical	hcnn
420	CH₂N₂	diazirine	ch2n2
421	CH₂NN	diazomethane	ch2nn
422	CH₃CN⁺	Acetonitrile cation	ch3cn+
423	CH₃NC	methyl isocyanide	ch3nc
424	NHCHNH₂	aminomethanimine	cn2h4
425	C₂H₅N	Aziridine	c2h5n
426	CH₂CHNH₂	aminoethene	aminoethene
427	CH₂NCH₃	N-methylmethanimine	nmm
428	CH₃CHNH	ethanimine	ethanimine
429	NH₂BHNH₂	diaminoborane	nh2bhnh2
430	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
431	CH₃NHCH₃	Dimethylamine	ch3nhch3
432	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
433	Li₂O⁺	dilithium oxide cation	li2o+
434	CNO^-	fulminate	cno-
435	NCO^-	cyanate	nco-
436	SCN	thiocyanato radical	scn
437	SCN^-	thiocyanide anion	scn-
438	BO₂	Boron dioxide	bo2
439	BO₂^-	Boron dioxide anion	bo2-
440	BO₂⁺	Boron dioxide cation	bo2+
441	N₂O⁺	Nitrous oxide cation	n2o+
442	NNS	Nitrogen sulfide	nns
443	PPO	Phosphorus oxide phosphide	ppo
444	CO₂^-	Carbon dioxide anion	co2-
445	CO₂⁺	Carbon dioxide cation	co2+
446	OCS⁺	Carbonyl sulfide cation	cos+
447	SiO₂	silicon dioxide	sio2
448	CS₂⁺	Carbon disulfide cation	cs2+
449	GeS₂	Germanium disulfide	ges2
450	SCTe	Carbon sulfide Telluride	scte
451	NO₂^-	Nitrogen dioxide anion	no2-
452	PO₂	Phosphorus dioxide	po2
453	PO₂^-	Phosphorus dioxide anion	po2-
454	PO₂⁺	Phosphorus dioxide cation	po2+
455	O₃^-	Ozone anion	o3-
456	O₃⁺	Ozone cation	o3+
457	SO₂^-	Sulfur dioxide anion	so2-
458	SO₂⁺	Sulfur dioxide cation	so2+
459	S₃^-	Sulfur trimer anion	s3-
460	TeO₂	Tellurium Dioxide	teo2
461	CS₂H⁺	Carbon disulfide, protonated	cs2h+
462	HNCO	Isocyanic acid	hnco
463	HOCN	cyanic acid	hocn
464	HCO₂^-	formate anion	hco2-
465	HNNO	nitrosoazane	hnno
466	HOCO⁺	Hydrocarboxyl cation	hoco+
467	HNO₂	Nitrous acid	hno2
468	HNO₂⁺	nitrous acid cation	hno2+
469	CH₂CO⁺	Ketene cation	ch2co+
470	HCCOH	ethynol	hccoh
471	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
472	CH₂O₂	Dioxirane	diox
473	H₂O₃	Hydrogen trioxide	h2o3
474	NaOCH₃	Sodium methoxide	naoch3
475	CH₂CHO	Vinyloxy radical	ch2cho
476	CH₃CO	Acetyl radical	ch3co
477	CH₃CO^-	Acetyl anion	ch3co-
478	CH₃CO⁺	acetyl cation	ch3co+
479	CH₂OOH	CH2OOH radical	ch2ooh
480	CH₃OO	methylperoxy radical	ch3oo
481	CH₃OO^-	methylperoxy anion	ch3oo-
482	CH₃OO⁺	methylperoxy cation	ch3oo+
483	CH₂CHOH	ethenol	ch2choh
484	H₂CONH₂⁺	protonated formamide	h2conh2+
485	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
486	CH₂(OH)₂	methanediol	ch2o2h2
487	CH₃OOH	Methyl peroxide	ch3ooh
488	H₂OH₂CO	water formaldehyde dimer	h2oh2co
489	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
490	CH₃CH₂O	Ethoxy radical	ethoxy
491	CH₃OCH₂	methoxymethyl radical	ch3och2
492	CH₃OHH₂O	methanol water dimer	ch3ohh2o
493	H₂OCH₃OH	water methanol dimer	h2och3oh
494	ZnF₂	Zinc difluoride	znf2
495	FCN	Cyanogen fluoride	fcn
496	ClCN	chlorocyanogen	clcn
497	ICN	Cyanogen iodide	icn
498	BeF₂	Beryllium fluoride	bef2
499	MgF₂	Magnesium fluoride	mgf2
500	BeCl₂	Beryllium chloride	becl2

count

Species

Name

file name

problem

Deuterium atom

D^-

Deuterium atom anion

D⁺

Deuterium atom cation

H⁺

Hydrogen atom cation

D₂

Deuterium 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-

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^-

berylium monohydride anion

beh-

BeH⁺

beryllium monohydride cation

beh+

MgH^-

magnesium monohydride anion

mgh-

MgH⁺

magnesium monohydride cation

mgh+

CaH

Calcium monohydride

cah

CaH⁺

Calcium monohydride cation

cah+

ZnH

Zinc monohydride

znh

BeH₂

beryllium dihydride

beh2

CaH₂

Calcium Hydride

cah2

ZnH₂

Zinc hydride

znh2

Boron atom

B^-

Boron atom anion

B⁺

Boron atom cation

BH^-

boron monohydride anion

bh-

BH⁺

boron monohydride cation

bh+

AlH

aluminum monohydride

alh

AlH^-

aluminum monohydride anion

alh-

AlH⁺

aluminum monohydride cation

alh+

BH₂

boron dihydride

bh2

BH₂⁺

Boron dihydride cation

bh2+

AlH₂

aluminum dihydride

alh2

AlH₂^-

aluminum dihydride anion

alh2-

AlH₂⁺

aluminum dihydride cation

alh2+

BH₃

boron trihydride

bh3

BH₃^-

boron trihydride anion

bh3-

AlH₃⁺

aluminum trihydride cation

alh3+

GaH₃

Gallium trihydride

gah3

AlH₄^-

Aluminum tetrahydride anion

alh4-

C^-

Carbon atom anion

C⁺

Carbon atom cation

Si⁺

Silicon atom cation

si+

Titanium atom

Ti^-

Titanium atom anion

ti-

Ti⁺

Titanium atom cation

ti+

Tin atom

Sn⁺

Tin cation

sn+

CH^-

methylidyne anion

ch-

CH⁺

Methylidyne cation

ch+

SiH^-

silicon monohydride anion

sih-

SiH₂

silicon dihydride

sih2

SiH₂^-

silicon dihydride anion

sih2-

SiH₂⁺

silicon dihydride cation

sih2+

SiH₃^-

Silyl anion

sih3-

CD₄

methane-d4

cd4

CH₂D₂

methane-d2

ch2d2

CH₃D

methane-d

ch3d

CH₄⁺

Methane cation

ch4+

CHD₃

methane-d3

chd3

SiH₄⁺

Silane cation

sih4+

SnH₄

Stannane

snh4

N^-

Nitrogen atom anion

N⁺

Nitrogen atom cation

P^-

Phosphorus atom anion

P⁺

Phosphorus atom cation

Antimony atom

Imidogen

NH^-

Imidogen anion

nh-

NH⁺

imidogen cation

nh+

PH^-

phosphorus monohydride anion

ph-

PH⁺

phosphorus monohydride cation

ph+

100

SbH

Antimony monohydride

sbh

101

ND₂

Amidogen-d2

nd2

102

NH₂^-

amino anion

nh2-

103

PH₂

Phosphino radical

ph2

104

PH₂^-

Phosphino anion

ph2-

105

PH₂⁺

Phosphino cation

ph2+

106

AsH₂

Arsenic dihydride

ash2

107

AsH₂⁺

Arsenic dihydride cation

ash2+

108

ND₃

Ammonia-d3

nd3

109

SbH₃

Stibine

sbh3

110

O^-

Oxygen atom anion

111

O⁺

Oxygen atom cation

112

Chromium atom

113

Tellurium atom

114

Te⁺

Tellurium atom cation

te+

115

Hydroxyl-d

116

Mercapto-d

117

TeH

Telluryl radical

teh

118

D₂O

Deuterium oxide

d2o

119

D₂S

Hydrogen sulfide-d2

d2s

120

H₂Te

Hydrogen Telluride

h2te

121

Manganese atom

122

Iodine atom

iodine

123

I^-

Iodine atom anion

iodine-

124

I⁺

Iodine atom cation

iodine+

125

Hydrofluoric acid-d

126

DCl

Hydrochloric acid-d

dcl

127

Hydrogen iodide

128

HI⁺

Hydrogen iodide cation

hi+

129

H₂F⁺

dihydrogen fluoride cation

h2f+

130

H₂I⁺

Iodonium

h2i+

131

Ne^-

Neon atom anion

ne-

132

Ne⁺

Neon atom cation

ne+

133

Argon atom

134

Ar^-

Argon atom anion

ar-

135

Ar⁺

Argon atom cation

ar+

136

Iron atom

137

Xenon atom

138

NeH⁺

neon hydrogen cation

neh+

139

XeH⁺

Xenon, protonated

xeh+

140

Cobalt atom

cobalt

141

Nickel atom

142

Li₂

Lithium diatomic

li2

143

Li₂^-

lithium diatomic anion

li2-

144

NaLi^-

lithium sodium anion

lina-

145

NaLi⁺

lithium sodium cation

lina+

146

LiK

Lithium Potassium

lik

147

NaK

Sodium Potassium

nak

148

NaK⁺

Sodium Potassium diatomic cation

nak+

149

K₂

Potassium diatomic

150

Cu₂

Copper diatomic

cu2

151

LiBe

Lithium Beryllium

libe

152

LiMg

Lithium magnesium

limg

153

NaBe

Sodium Beryllium

nabe

154

NaMg

Sodium Magnesium

namg

155

Be₂^-

Beryllium diatomic anion

be2-

156

Be₂⁺

Beryllium diatomic cation

be2+

157

Mg₂

Magnesium diatomic

mg2

158

Mg₂^-

magnesium diatomic anion

mg2-

159

Mg₂⁺

magnesium diatomic cation

mg2+

160

Ca₂

Calcium diatomic

ca2

161

B₂^-

Boron diatomic anion

b2-

162

Al₂

Aluminum diatomic

al2

163

Al₂^-

aluminum diatomic anion

al2-

164

Al₂⁺

aluminum diatomic cation

al2+

165

LiBH₄

Lithium borohydride

libh4

166

CaC

Calcium monocarbide

cac

167

BC^-

boron monocarbide anion

bc-

168

BC⁺

boron monocarbide cation

bc+

169

C₂^-

carbon diatomic anion

c2-

170

SiC^-

silicon monocarbide anion

sic-

171

SiC⁺

silicon monocarbide cation

sic+

172

Si₂

Silicon diatomic

si2

173

Si₂^-

silcon diatomic anion

si2-

174

Si₂⁺

silcon diatomic cation

si2+

175

Ge₂

Germanium diatomic

ge2

176

C₂H⁺

Ethynyl cation

c2h+

177

ZnCH₂

Zinc methylene

znch2

178

CCH₂

vinylidene

179

CuCH₃

monomethyl copper

cuch3

180

ZnCH₃

Zinc monomethyl

znch3

181

CH₃CH

methylmethylene

ch3ch

182

CH₂SiH₂

silaethylene

ch2sih2

183

C₂H₅^-

Ethyl anion

c2h5-

184

C₂H₅⁺

Ethyl cation

c2h5+

185

C₂H₆⁺

ethane cation

c2h6+

186

CH₃SiH₃

methyl silane

ch3sih3

187

GeH₃CH₃

methyl germane

geh3ch3

188

C₂H₇⁺

Ethane, protonated

c2h7+

189

LiN⁺

Lithium Nitride cation

lin+

190

BeN^-

Beryllium mononitride anion

ben-

191

BN^-

boron nitride anion

bn-

192

AlN^-

aluminum mononitride anion

aln-

193

AlN⁺

aluminum mononitride cation

aln+

194

BN⁺

boron nitride cation

bn+

195

AlN

Aluminum nitride

aln

196

CN⁺

Cyano cation

cn+

197

Carbon monophosphide

198

CP^-

carbon monophosphide anion

cp-

199

CP⁺

carbon monophosphide cation

cp+

200

SiN

Silicon nitride

sin

201

SiN^-

silicon mononitride anion

sin-

202

SiN⁺

silicon mononitride cation

sin+

203

SiP^-

Silicon monophosphide anion

sip-

204

SiP⁺

Silicon monophosphide cation

sip+

205

TiN

Titanium mononitride

tin

206

PN^-

phosphorus nitride anion

pn-

207

PN⁺

phosphorus nitride cation

pn+

208

P₂^-

phosphorus diatomic anion

p2-

209

P₂⁺

phosphorus diatomic cation

p2+

210

AsN

Arsenic mononitride

asn

211

AsP

Arsenic monophosphide

asp

212

SbN

Antimony nitride

sbn

213

As₂

Arsenic diatomic

as2

214

HNB

hydrogen nitrogen boron

hnb

215

HNC

hydrogen isocyanide

hnc

216

HCN^-

Hydrogen cyanide anion

hcn-

217

HCP

Phosphaethyne

hcp

218

NNH

Dinitrogen monohydride

nnh

219

HPO

Hydrogen phosphorus oxide

hpo

220

HPO⁺

Hydrogen phosphorus oxide cation

hpo+

221

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

222

H₂CN⁺

hydrocyanonium cation

h2cn+

223

HCNH⁺

N-protonated HCN

hcnh+

224

P₂H₄

Diphosphine

p2h4

225

CH₃PH₂

Methyl phosphine

ch3ph2

226

CH₃NH₃⁺

protonated methylamine

ch3nh3+

227

LiO^-

lithium oxide anion

lio-

228

LiO⁺

lithium oxide cation

lio+

229

NaO^-

sodium oxide anion

nao-

230

NaO⁺

sodium oxide cation

nao+

231

Potassium monoxide

232

KO⁺

Potassium monoxide cation

ko+

233

CuO

Copper Monoxide

cuo

234

BeO

beryllium oxide

beo

235

BeO^-

Beryllium monoxide anion

beo-

236

BeS

beryllium sulfide

bes

237

MgO

magnesium oxide

mgo

238

MgO^-

magnesium oxide anion

mgo-

239

MgO⁺

magnesium oxide cation

mgo+

240

CaO

Calcium monoxide

cao

241

MgS

magnesium sulfide

mgs

242

MgS^-

magnesium sulfide anion

mgs-

243

MgS⁺

magnesium sulfide cation

mgs+

244

CaS

Calcium sulfide

cas

245

ZnO

zinc monoxide

zno

246

ZnS

Zinc sulfide

zns

247

BeS^-

Beryllium monosulfide anion

bes-

248

BeS⁺

Beryllium monosulfide cation

bes+

249

BO^-

boron monoxide anion

bo-

250

AlO

Aluminum monoxide

alo

251

AlO^-

Aluminum monoxide anion

alo-

252

AlO⁺

aluminum monoxide cation

alo+

253

boron sulfide

254

BS^-

boron monosulfide anion

bs-

255

BS⁺

boron monosulfide cation

bs+

256

AlS

Aluminum sulfide

als

257

AlS^-

aluminum monosulfide anion

als-

258

AlS⁺

aluminum monosulfide cation

als+

259

BO⁺

boron monoxide cation

bo+

260

carbon monosulfide

261

CS^-

carbon monosulfide anion

cs-

262

CS⁺

carbon monosulfide cation

cs+

263

SiO^-

silicon monoxide anion

sio-

264

SiO⁺

silicon monoxide cation

sio+

265

SiS^-

silicon monosulfide anion

sis-

266

SiS⁺

silicon monosulfide cation

sis+

267

CSe^-

Carbon monoselenide anion

cse-

268

CSe⁺

Carbon monoselenide cation

cse+

269

NS^-

nitrogen sulfide anion

ns-

270

NS⁺

nitrogen sulfide cation

ns+

271

PO^-

phosphorus monoxide anion

po-

272

PO⁺

phosphorus monoxide cation

po+

273

PS^-

phosphorus monosulfide anion

ps-

274

PS⁺

phosphorus monosulfide cation

ps+

275

AsO

Arsenic monoxide

aso

276

SO^-

sulfur monoxide anion

so-

277

S₂^-

sulfur diatomic anion

s2-

278

S₂⁺

sulfur diatomic cation

s2+

279

SeO^-

selenium monoxide anion

seo-

280

SeO⁺

selenium monoxide cation

seo+

281

SeS

Selenium monosulfide

ses

282

SeS^-

selenium monosulfide anion

ses-

283

SeS⁺

selenium monosulfide cation

ses+

284

TeO

Tellurium monoxide

teo

285

Se₂^-

selenium diatomic anion

se2-

286

Se₂⁺

selenium diatomic cation

se2+

287

Te₂

Tellurium diatomic

te2

288

NaOH

sodium hydroxide

naoh

289

KOH

Potassium hydroxide

koh

290

MgOH

magnesium hydroxide

mgoh

291

CaOH

Calcium monohydroxide

caoh

292

HCS

Thioformyl radical

hcs

293

HCS^-

Thioformyl anion

hcs-

294

HCS⁺

Thioformyl cation

hcs+

295

HNO^-

Nitrosyl hydride anion

hno-

296

HNS

Sulfur imide

hns

297

HNS^-

Sulfur imide anion

hns-

298

HO₂^-

Hydroperoxy anion

ho2-

299

HS₂

Thiosulfeno radical

hs2

300

HOCH

hydroxycarbene

hoch

301

CH₃O

Methoxy radical

ch3o

302

CH₃S

thiomethoxy

ch3s

303

NH₃O

Ammonia Oxide

nh3o

304

H₂POH

Phosphinous acid

h2poh

305

H₃PO

Phosphine oxide

h3po

306

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

307

CH₃SeH

Methane selenol

ch3seh

308

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

309

H₂ONH₃

Water Ammonia Dimer

h2onh3

310

LiCl^-

lithium chloride anion

licl-

311

LiCl⁺

lithium chloride cation

licl+

312

NaF^-

sodium fluoride anion

naf-

313

Potassium Fluoride

314

NaCl^-

sodium chloride anion

nacl-

315

NaCl⁺

sodium chloride cation

nacl+

316

KCl

Potassium Chloride

kcl

317

CuF

Copper monofluoride

cuf

318

LiBr^-

lithium bromide anion

libr-

319

LiBr⁺

lithium bromide cation

libr+

320

CuCl

Copper monochloride

cucl

321

NaBr

Sodium Bromide

nabr

322

NaBr^-

sodium bromide anion

nabr-

323

NaBr⁺

sodium bromide cation

nabr+

324

KBr

Potassium Bromide

kbr

325

LiI

Lithium Iodide

lii

326

NaI

Sodium Iodide

nai

327

Potassium Iodide

328

LiF^-

lithium fluoride anion

lif-

329

BeF

Beryllium monofluoride

bef

330

BeF^-

Beryllium monofluoride anion

bef-

331

BeF⁺

Beryllium monofluoride cation

bef+

332

BeCl

beryllium monochloride

becl

333

MgF

Magnesium monofluoride

mgf

334

MgF^-

magnesium fluoride anion

mgf-

335

CaF

Calcium monofluoride

caf

336

MgCl

magnesium monochloride

mgcl

337

MgCl^-

magnesium monochloride anion

mgcl-

338

MgCl⁺

magnesium monochloride cation

mgcl+

339

CaCl

calcium monochloride

cacl

340

ZnF^-

Zinc monofluoride anion

znf-

341

ZnF⁺

Zinc monofluoride cation

znf+

342

ZnCl

Zinc monochloride

zncl

343

CaBr

Calcium monobromide

cabr

344

BeCl^-

beryllium monochloride anion

becl-

345

BeCl⁺

beryllium monochloride cation

becl+

346

BF^-

Boron monofluoride anion

bf-

347

BF⁺

Boron monofluoride cation

bf+

348

AlF^-

Aluminum monofluoride anion

alf-

349

AlF⁺

Aluminum monofluoride cation

alf+

350

BCl

boron monochloride

bcl

351

BCl^-

boron monochloride anion

bcl-

352

BCl⁺

boron monochloride cation

bcl+

353

AlCl^-

aluminum monochloride anion

alcl-

354

AlCl⁺

aluminum monochloride cation

alcl+

355

BBr

Boron monobromide

bbr

356

AlI

Aluminum monoiodide

ali

357

CF^-

carbon monofluoride anion

cf-

358

CF⁺

carbon monofluoride cation

cf+

359

CCl

carbon monochloride

ccl

360

CCl^-

carbon monochloride anion

ccl-

361

CCl⁺

carbon monochloride cation

ccl+

362

SiF^-

silicon monofluoride anion

sif-

363

SiCl^-

silicon monochloride anion

sicl-

364

SiCl⁺

silicon monochloride cation

sicl+

365

nitrogen fluoride

366

NF^-

nitrogen monofluorine anion

nf-

367

NF⁺

nitrogen monofluoirde cation

nf+

368

NCl^-

nitrogen monochloride anion

ncl-

369

NCl⁺

nitrogen monochloride cation

ncl+

370

phosphorus monofluoride

371

PF^-

phosphorus monofluoride anion

pf-

372

PF⁺

phosphorus monofluoride cation

pf+

373

PCl

phosphorus chloride

pcl

374

PCl^-

phosphorus monochloride anion

pcl-

375

PCl⁺

phosphorus monochloride cation

pcl+

376

SbF

Antimony monofluoride

sbf

377

SbCl

Antimony monochloride

sbcl

378

FO^-

flourine oxide anion

fo-

379

FO⁺

fluorine monoxide cation

fo+

380

ClO^-

chlorine monoxide anion

clo-

381

SF^-

sulfur monofluoride anion

sf-

382

SCl^-

sulfur monochloride anion

scl-

383

BrO^-

Bromine monoxide anion

bro-

384

Iodine monoxide

385

ClF^-

clorine monofluoride anion

clf-

386

BrF^-

bromine fluoride anion

brf-

387

BrF⁺

bromine fluoride cation

brf+

388

BrCl^-

bromine chloride anion

brcl-

389

BrCl⁺

bromine chloride cation

brcl+

390

Iodine monofluoride

391

ICl

Iodine monochloride

icl

392

IBr

Iodine monobromide

ibr

393

I₂

Iodine diatomic

394

I₂⁺

Iodine diatomic cation

i2+

395

HCCl

Chloromethylene

hccl

396

CHBr

bromomethylene

chbr

397

DOCl

Hypochlorous acid-d

docl

398

HOI

Hypoiodous acid

hoi

399

FHF

Hydrogen difluoride

fhf

400

FHF^-

Hydrogen difluoride anion

fhf-

401

NH₂F

monofluoroamine

nh2f

402

H₂F₂

Hydrogen fluoride dimer

h2f2

403

CD₃Cl

methyl chloride d3

cd3cl

404

CH₃I

methyl iodide

ch3i

405

SiH₃I

Silyl Iodide

sih3i

406

Ne₂

Neon diatomic

ne2

407

C₃⁺

carbon trimer cation

c3+

408

C₃H₃

Propargyl radical

propargyl

409

C₃H₃^-

Propargyl anion

c3h3-

410

C₃H₃⁺

cyclopropenyl cation

cpr+

411

C₃H₃⁺

Propargyl cation

c3h3+

412

C₃H₅⁺

Allyl cation

allyl+

413

Zn(CH₃)₂

dimethyl zinc

dmz

414

SiH₂(CH₃)₂

dimethylsilane

dms

415

KCN

Potassium cyanide

kcn

416

CuCN

Copper cyanide

cucn

417

CN₂

3H-Diazirin-3-ylidene

cn2

418

N₃^-

azide anion

n3-

419

HCNN

diazomethyl radical

hcnn

420

CH₂N₂

diazirine

ch2n2

421

CH₂NN

diazomethane

ch2nn

422

CH₃CN⁺

Acetonitrile cation

ch3cn+

423

CH₃NC

methyl isocyanide

ch3nc

424

NHCHNH₂

aminomethanimine

cn2h4

425

C₂H₅N

Aziridine

c2h5n

426

CH₂CHNH₂

aminoethene

427

CH₂NCH₃

N-methylmethanimine

nmm

428

CH₃CHNH

ethanimine

429

NH₂BHNH₂

diaminoborane

nh2bhnh2

430

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

431

CH₃NHCH₃

Dimethylamine

ch3nhch3

432

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

433

Li₂O⁺

dilithium oxide cation

li2o+

434

CNO^-

fulminate

cno-

435

NCO^-

cyanate

nco-

436

SCN

thiocyanato radical

scn

437

SCN^-

thiocyanide anion

scn-

438

BO₂

Boron dioxide

bo2

439

BO₂^-

Boron dioxide anion

bo2-

440

BO₂⁺

Boron dioxide cation

bo2+

441

N₂O⁺

Nitrous oxide cation

n2o+

442

NNS

Nitrogen sulfide

nns

443

PPO

Phosphorus oxide phosphide

ppo

444

CO₂^-

Carbon dioxide anion

co2-

445

CO₂⁺

Carbon dioxide cation

co2+

446

OCS⁺

Carbonyl sulfide cation

cos+

447

SiO₂

silicon dioxide

sio2

448

CS₂⁺

Carbon disulfide cation

cs2+

449

GeS₂

Germanium disulfide

ges2

450

SCTe

Carbon sulfide Telluride

scte

451

NO₂^-

Nitrogen dioxide anion

no2-

452

PO₂

Phosphorus dioxide

po2

453

PO₂^-

Phosphorus dioxide anion

po2-

454

PO₂⁺

Phosphorus dioxide cation

po2+

455

O₃^-

Ozone anion

o3-

456

O₃⁺

Ozone cation

o3+

457

SO₂^-

Sulfur dioxide anion

so2-

458

SO₂⁺

Sulfur dioxide cation

so2+

459

S₃^-

Sulfur trimer anion

s3-

460

TeO₂

Tellurium Dioxide

teo2

461

CS₂H⁺

Carbon disulfide, protonated

cs2h+

462

HNCO

Isocyanic acid

hnco

463

HOCN

cyanic acid

hocn

464

HCO₂^-

formate anion

hco2-

465

HNNO

nitrosoazane

hnno

466

HOCO⁺

Hydrocarboxyl cation

hoco+

467

HNO₂

Nitrous acid

hno2

468

HNO₂⁺

nitrous acid cation

hno2+

469

CH₂CO⁺

Ketene cation

ch2co+

470

HCCOH

ethynol

hccoh

471

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

472

CH₂O₂

Dioxirane

diox

473

H₂O₃

Hydrogen trioxide

h2o3

474

NaOCH₃

Sodium methoxide

naoch3

475

CH₂CHO

Vinyloxy radical

ch2cho

476

CH₃CO

Acetyl radical

ch3co

477

CH₃CO^-

Acetyl anion

ch3co-

478

CH₃CO⁺

acetyl cation

ch3co+

479

CH₂OOH

CH2OOH radical

ch2ooh

480

CH₃OO

methylperoxy radical

ch3oo

481

CH₃OO^-

methylperoxy anion

ch3oo-

482

CH₃OO⁺

methylperoxy cation

ch3oo+

483

CH₂CHOH

ethenol

ch2choh

484

H₂CONH₂⁺

protonated formamide

h2conh2+

485

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

486

CH₂(OH)₂

methanediol

ch2o2h2

487

CH₃OOH

Methyl peroxide

ch3ooh

488

H₂OH₂CO

water formaldehyde dimer

h2oh2co

489

CH₂CH₂OH

2-hydroxy ethyl radical

ch2ch2oh

490

CH₃CH₂O

Ethoxy radical

ethoxy

491

CH₃OCH₂

methoxymethyl radical

ch3och2

492

CH₃OHH₂O

methanol water dimer

ch3ohh2o

493

H₂OCH₃OH

water methanol dimer

h2och3oh

494

ZnF₂

Zinc difluoride

znf2

495

FCN

Cyanogen fluoride

fcn

496

ClCN

chlorocyanogen

clcn

497

ICN

Cyanogen iodide

icn

498

BeF₂

Beryllium fluoride

bef2

499

MgF₂

Magnesium fluoride

mgf2

500

BeCl₂

Beryllium chloride

becl2

501

MgCl₂

Magnesium dichloride

mgcl2

502

CaCl₂

Calcium Chloride

cacl2

503

ZnCl₂

Zinc dichloride

zncl2

504

CaBr₂

Calcium dibromide

cabr2

505

CaF₂

Calcium difluoride

caf2

506

BrNO

Nitrosyl bromide

brno

507

INO

Nitrosyl iodide

ino

508

CF₂^-

Difluoromethylene anion

cf2-

509

CF₂⁺

Difluoromethylene cation

cf2+

510

CCl₂

dichloromethylene

ccl2

511

CCl₂^-

dichloromethylene anion

ccl2-

512

CCl₂⁺

dichloromethylene cation

ccl2+

513

SiCl₂

Dichlorosilylene

sicl2

514

GeF₂

Germanium difluoride

gef2

515

FOO

Dioxygen monofluoride radical

foo

516

ClOO

chloroperoxy radical

cloo

517

ClOO⁺

chloroperoxy cation

cloo+

518

OClO⁺

Chlorine dioxide cation

oclo+

519

ClS₂

Sulfur chloride

cls2

520

NF₂

Difluoroamino radical

nf2

521

NF₂⁺

Difluoroamino cation

nf2+

522

F₂O

Difluorine monoxide

f2o

523

SF₂^-

sulfur difluoride anion

sf2-

524

SF₂⁺

sulfur difluoride cation

sf2+

525

Cl₂O

Dichlorine monoxide

cl2o

526

SCl₂

Sulfur dichloride

scl2

527

BrOCl

Bromine hypochlorite

brocl

528

BrOBr

Bromine oxide

brobr

529

F₃^-

trifluoride anion

f3-

530

Cl₃^-

trichloride anion

cl3-

531

I₃^-

triiodide

i3-

532

HCCF⁺

fluoroacetylene cation

hccf+

533

HFCO

formyl fluoride

hfco

534

COHCl

Formyl chloride

cohcl

535

COHBr

Formyl bromide

cohbr

536

BHF₂

Difluoroborane

bhf2

537

BHCl₂

Borane, dichloro-

bhcl2

538

HOClO

Chlorous acid

hoclo

539

CH₂FCl

fluorochloromethane

ch2fcl

540

CH₂FI

fluoroiodomethane

ch2fi

541

CH₂ClI

chloroiodomethane

ch2cli

542

CH₂BrI

bromoiodomethane

ch2bri

543

CH₂I₂

Diiodomethane

ch2i2

544

CH₂CHF⁺

fluoroethene cation

ch2chf+

545

C₂H₃Cl

Ethene, chloro-

ch2chcl

546

C₂H₃Br

vinyl bromide

c2h3br

547

C₂H₃I

Vinyl iodide

c2h3i

548

CH₃OCl

methyl hypochlorite

ch3ocl

549

C₂H₅F

fluoroethane

c2h5f

550

CH₃CH₂Cl

Ethyl chloride

c2h5cl

551

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

552

C₂H₅I

Ethyl iodide

c2h5i

553

KrF₂

Krypton difluoride

krf2

554

XeF₂

Xenon difluoride

xef2

555

C₄⁺

Carbon tetramer cation

c4+

556

C₂H₃CCH

1-Buten-3-yne

c2h3cch

557

C₄H₄

cyclobutadiene

cbd

558

H₂CCCCH₂

Butatriene

h2cccch2

559

C₄H₆

Cyclobutene

c822355

560

C₄H₆

Methylenecyclopropane

c6142730

561

CH₂CCHCH₃

1,2-Butadiene

butad12

562

CH₂CHCHCH₂

1,3-Butadiene

c106990

563

CH₃CCCH₃

2-Butyne

c503173

564

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

565

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

566

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

567

B(CH₃)₃

trimethylborane

bme3

568

Al(CH₃)₃

trimethyl aluminum

tma

569

C(CH₃)₃

Tert-butyl radical

tbutyl

570

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

571

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

572

CH₃CH(CH₃)CH₃

Isobutane

isobutane

573

SiH(CH₃)₃

trimethylsilane

trimsi

574

C₂N₂⁺

Cyanogen cation

c2n2+

575

P₄

Phosphorus tetramer

576

HCCCN

Cyanoacetylene

hcccn

577

C₃H₃N

acrylonitrile

ch2chcn

578

CH₅N₃

Guanidine

guanidine

579

CH₆N₃⁺

guanidinium

ch6n3+

580

C₃H₇N

Cyclopropylamine

cpram

581

C₃H₇N

Azetidine

azet

582

C₂H₈N₂

Ethylenediamine

ethdiam

583

CH₃NHNHCH₃

dimethyl hydrazine

dmh

584

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

585

N(CH₃)₃

Trimethylamine

trimeam

586

As(CH₃)₃

trimethyl arsine

tmas

587

Li₂O₂

dilithium dioxide

li2o2

588

K₂O₂

dipotassium dioxide

k2o2

589

B₂O₂

Diboron dioxide

b2o2

590

CO₃^--

carbonate

co3--

591

NO₃

Nitrogen trioxide

no3

592

NO₃⁺

nitrogen trioxide cation

no3+

593

SO₃^-

Sulfur trioxide anion

so3-

594

SO₃⁺

Sulfur trioxide cation

so3+

595

SeO₃

selenium trioxide

seo3

596

TeO₃

Tellurium trioxide

teo3

597

HCO₃^-

bicarbonate anion

hco3-

598

HSO₃

Hydroxysulfonyl radical

hso3

599

C₂H₂CO

cyclopropenone

c2h2co

600

HCCCHO

2-propynal

hcccho

601

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

602

H₂CO₃

Carbonic acid

h2co3

603

H₂CS₃

thiocarbonic acid

h2cs3

604

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

605

CH₃COO^-

acetate anion

ch3coo-

606

CH₃ONO

Methyl nitrite

ch3ono

607

H₃BO₃

Boric acid

h3bo3

608

H₃CO₃⁺

carbonic acid, protonated

h3co3+

609

C₃H₄O

2-Propyn-1-ol

c107197

610

C₃H₄O

allenol

c9000071

611

C₃H₄O

Cyclopropanone

cpone

612

C₃H₄O

Methylketene

c6004440

613

NH₂CONH₂⁺

Urea cation

urea+

614

NH₂CSNH₂

Thiourea

thiourea

615

C₂H₄O₂

1,3-dioxetane

c2h4o2

616

CH₃COOH

Acetic acid

ch3cooh

617

CH₃OCHO

methyl formate

ch3ocho

618

CHOCH₂OH

hydroxy acetaldehyde

haa

619

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

620

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

621

HCOOHH₂O

Formic acid water dimer

hcoohh2o

622

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

623

CH₃CONH₂

Acetamide

acetamide

624

C₂H₅OO

ethylperoxy radical

c2h5oo

625

C₃H₆O

Propylene oxide

prox

626

C₃H₆S

Thietane

thietane

627

C₃H₆S

Thiirane, methyl-

methiirane

628

CH₃CSCH₃

Thioacetone

ch3csch3

629

C₂H₆O₂

1,2-Ethanediol

ethdiol

630

CH₃OOCH₃

dimethylperoxide

dmp

631

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

632

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

633

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

634

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

635

C₃H₇SH

1-Propanethiol

prsh

636

CH₃CHSHCH₃

2-Propanethiol

isoprsh

637

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

638

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

639

Na₂F₂

Sodium Fluoride Dimer

na2f2

640

Na₂Cl₂

Disodium dichloride

na2cl2

641

C₂F₂

difluoroacetylene

c2f2

642

C₂Cl₂

dichloroacetylene

c2cl2

643

C₂Cl₂⁺

dichloroacetylene cation

c2cl2+

644

ClNO₂

Nitryl chloride

clno2

645

BrONO

Bromine nitrite

brono

646

N₂F₂

(Z)-Difluorodiazene

n2f2_z

647

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

648

COFCl

Carbonic chloride fluoride

cofcl

649

CCl₂O

Phosgene

cl2co

650

Cl₂CS

Thiophosgene

cl2cs

651

COBr₂

Carbonic dibromide

cobr2

652

BF₃

Borane, trifluoro-

bf3

653

BF₃^-

Borane, trifluoro- anion

bf3-

654

AlF₃

Aluminum trifluoride

alf3

655

AlF₂Cl

Aluminum chloride difluoride

alclf2

656

AlFCl₂

Aluminum dichloride fluoride

alcl2f

657

AlCl₃

Aluminum trichloride

alcl3

658

BBr₃

Boron tribromide

bbr3

659

AlBr₃

Aluminum Bromide

albr3

660

ClO₃

Chlorine trioxide

clo3

661

ClO₃^-

chlorate anion

clo3-

662

BrO₃^-

Bromate anion

bro3-

663

CF₃

Trifluoromethyl radical

cf3

664

CCl₃

Trichloromethyl radical

ccl3

665

CCl₃^-

Trichloromethyl anion

ccl3-

666

CCl₃⁺

Trichloromethyl cation

ccl3+

667

SiCl₃

trichlorosilyl radical

sicl3

668

SiCl₃⁺

trichlorosilyl cation

sicl3+

669

FOOF

Perfluoroperoxide

foof

670

F₂SO

Thionyl Fluoride

f2so

671

FSSF

Difluorodisulfane

fssf

672

S₂F₂

Thio-thionyl fluoride

s2f2

673

SOCl₂

thionyl chloride

socl2

674

SeOCl₂

selenium oxychloride

seocl2

675

NF₃^-

Nitrogen trifluoride anion

nf3-

676

NF₃⁺

Nitrogen trifluoride cation

nf3+

677

PF₃

Phosphorus trifluoride

pf3

678

AsF₃

Arsenic trifluoride

asf3

679

PCl₃

Phosphorus trichloride

pcl3

680

SbF₃

Antimony Trifluoride

sbf3

681

SbCl₃

Antimony Trichloride

sbcl3

682

PBr₃

Phosphorus tribromide

pbr3

683

AsBr₃

Arsenic tribromide

asbr3

684

NI₃

Nitrogen triiodide

ni3

685

PI₃

Phosphorus triiodide

pi3

686

ClSSCl

Disulfur dichloride

s2cl2

687

SF₃

Sulfur trifluoride

sf3

688

BrF₃

Bromine trifluoride

brf3

689

IF₃

iodone trifluoride

if3

690

CHF₂Cl

difluorochloromethane

chf2cl

691

CHFCl₂

fluorodichloromethane

chfcl2

692

CDCl₃

trichloromethane-d

cdcl3

693

SiHCl₃

Trichlorosilane

sihcl3

694

CHF₂I

difluoroiodomethane

chf2i

695

CHFClI

fluorochloroiodomethane

chfcli

696

CHCl₂I

dichloroiodomethane

chcl2i

697

CHClBr₂

Methane, dibromochloro-

chclbr2

698

CHBr₃

bromoform

chbr3

699

CHI₃

Iodoform

chi3

700

C₂H₂F₂

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

c2h2f2e

701

C₂H₂F₂

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

c2h2f2z

702

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

703

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

704

CHClCHCl

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

chclchcle

705

CHClCHCl

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

chclchclz

706

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

707

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

708

CH₃COF

Acetyl fluoride

ch3cof

709

CH₂ClCHO

chloroacetaldehyde

ch2clcho

710

CH₃COCl

Acetyl Chloride

ch3cocl

711

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

712

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

713

CH₂CFCH₃

2-fluoropropene

2fpro

714

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

715

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

716

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

717

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

718

CH₃CH₂CH₂Br

n-propyl bromide

prbr

719

CH₃CHBrCH₃

i-propyl bromide

iprbr

720

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

721

C₅H₅

cyclopentadienyl radical

c5h5

722

C₅H₅^-

cylopentadienyl anion

c5h5-

723

C₅H₆

1,3-Cyclopentadiene

c542927

724

C₅H₆

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

c78808

725

C₅H₆

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

c2004695

726

C₅H₆

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

c1574409

727

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

728

C₅H₆

Cyclopropylacetylene

c6746947

729

C₅H₇

1,3-pentadienyl radical

pdyl

730

C₅H₇

cyclopentenyl radical

cpyl

731

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

732

C₅H₈

1,2-Pentadiene

c591957

733

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

734

C₅H₈

1,3-Pentadiene, (E)-

c2004708

735

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

736

C₅H₈

1,4-Pentadiene

c591935

737

C₅H₈

1-pentyne

a1pentyne

738

C₅H₈

2,3-Pentadiene

c591968

739

C₅H₈

Cyclobutane, methylene-

c1120565

740

C₅H₈

Cyclopentene

c142290

741

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

742

C₅H₁₀

1-Butene, 2-methyl-

c563462

743

C₅H₁₀

2-Butene, 2-methyl-

c513359

744

C₅H₁₀

2-Pentene, (E)-

c646048

745

C₅H₁₀

2-Pentene, (Z)-

c627203

746

C₅H₁₀

Cyclopentane

c287923

747

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

748

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

749

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

750

C₅H₁₂

Butane, 2-methyl-

buta2

751

C₅H₁₂

Pentane

pentane

752

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

753

Si(CH₃)₄

tetramethylsilane

tms

754

N₂O₃

Dinitrogen trioxide

n2o3

755

C₃H₂N₂

Malononitrile

c3h2n2

756

C₂H₃N₃

1H-1,2,4-Triazole

c288880

757

C₃H₄N₂

1H-Pyrazole

1hpyraz

758

C₄H₅N

(E)-2-Butenenitrile

c627269

759

C₄H₅N

(Z)-2-Butenenitrile

c1190767

760

C₄H₅N

2H-pyrrole

pyrrole2

761

C₄H₅N

3H-pyrrole

pyrrole3

762

C₄H₅N

Cyclopropanecarbonitrile

c5500210

763

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

764

C₃H₆N₂

3-Aminopropionitrile

c151188

765

C₅H₈

Bicyclo[2.1.0]pentane

c185944

766

C₅H₈

Spiropentane

c157404

767

C₄H₉N

Cyclobutylamine

cbam

768

C₄H₉N

Pyrrolidine

pyrrolidine

769

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

770

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

771

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

772

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

773

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

774

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

775

C₃O₂⁺

Carbon suboxide cation

c3o2+

776

CaCO₃

Calcium Carbonate

caco3

777

ONONO

Nitrosyl nitrite

onono

778

PO₄^---

phosphate

po4---

779

SO₄^--

sulfate

so4--

780

HOONO₂

peroxy nitric acid

hoono2

781

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

782

C₃H₂O₂

Propiolic acid

c3h2o2

783

CHOCOOH

oxo acetic acid

oaa

784

H₂SO₄

Sulfuric acid

h2so4

785

H₂SeO₄

Selenic acid

h2seo4

786

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

787

CH₃NO₃

Methyl nitrate

ch3no3

788

H₃PO₄

Phosphoric Acid

h3po4

789

C₄H₄O⁺

Furan cation

furan+

790

C₄H₄S

Thiophene

furans

791

C₃H₄O₂

β–Propiolactone

beta

792

C₃H₄O₂

2-Propenoic acid

propenoic2

793

C₃H₄O₂

Methyl glyoxal

megly

794

C₃H₄O₂

propanedial

795

C₃H₄O₂

propenalol

796

HOCHCCHOH

allenediol

aldiol

797

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

798

C₂H₄O₃

trioxolane124

triox

799

HOCH₂COOH

Hydroxyacetic acid

hac

800

CH₂CHCONH₂

Acrylamide

c79061

801

CH₅N₃S

Hydrazinecarbothioamide

c79196

802

H₂NCH₂COOH

Glycine

glycine

803

C₄H₆O

cis-2-butenal

butenal2c

804

C₄H₆O

Cyclobutanone

cbutone

805

C₄H₆O

Furan, 2,3-dihydro-

furan23h

806

C₄H₆O

Furan, 2,5-dihydro-

furan25h

807

CH₂CHOCHCH₂

Vinyl ether

vinylether

808

CHOCHCHCH₃

2-Butenal

butenal2

809

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

810

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

811

C₂H₆N₂O

Urea, methyl-

c598505

812

C₃H₆O₂

1,3-Dioxolane

dioxolane

813

CH₃COOCH₃

methyl acetate

aame

814

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

815

C₃H₇NO

dimethylformamide

dmf

816

C₃H₇NO

Propanamide

propanam

817

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

818

C₄H₈O

Cyclobutanol

c2919235

819

C₄H₈O

Furan, tetrahydro-

thf

820

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

821

CH₃COCH₂CH₃

2-Butanone

buta2one

822

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

823

CHOCH₂CH₂CH₃

Butanal

butanal

824

C₃H₈O₂

1,3-Propanediol

c504632

825

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

826

C₃H₈O₂

Methane, dimethoxy-

c109875

827

C₃H₈O₂

Propylene glycol

c57556

828

C₃H₈S₂

1,3-Propanedithiol

c109808

829

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

830

C₄H₁₀O

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

butanol2

831

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

832

C₄H₁₀O

Propane, 2-methoxy-

c598538

833

C₄H₁₀O⁺

1-Butanol cation

butanol1+

834

C₂H₅SC₂H₅

Diethyl sulfide

etset

835

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

836

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

837

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

838

FNO₃

Fluorine nitrate

fno3

839

ClONO₂

Chlorine nitrate

clono2

840

TiCl₄

Titanium tetrachloride

ticl4

841

ClO₄^-

perchlorate anion

clo4-

842

BF₄^-

tetrafluoroboron anion

bf4-

843

ClFO₃

Perchloryl fluoride

clfo3

844

SO₂F₂

Sulfuryl fluoride

so2f2

845

SO₂Cl₂

Sulfuryl chloride

so2cl2

846

F₃NO

Nitrogen trifluoride oxide

f3no

847

F₃PO

Phosphoryl fluoride

pf3o

848

Cl₃PO

Phosphoryl chloride

pcl3o

849

CF₄

Carbon tetrafluoride

cf4

850

SiF₄

Silicon tetrafluoride

sif4

851

CFCl₃

Trichloromonofluoromethane

cfcl3

852

CCl₄⁺

Carbon tetrachloride cation

ccl4+

853

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

854

SiCl₄

Silane, tetrachloro-

sicl4

855

CF₃I

trifluoroiodomethane

cf3i

856

CBrCl₃

Methane, bromotrichloro-

cbrcl3

857

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

858

GeCl₄

Germanium Tetrachloride

gecl4

859

CCl₃I

trichloroiodomethane

ccl3i

860

CFClBrI

fluorochlorobromoiodomethane

cfclbri

861

CF₂I₂

difluorodiiodomethane

cf2i2

862

CBr₄

Carbon tetrabromide

cbr4

863

CCl₂I₂

dichlorodiiodomethane

ccl2i2

864

CBr₃I

tribromoiododmethane

cbr3i

865

CI₄

tetraiodomethane

ci4

866

SiI₄

silicon tetraiodide

sii4

867

C₂HF₃

Trifluoroethylene

c2hf3

868

C₂HF₃⁺

Trifluoroethylene cation

c2hf3+

869

CHClCCl₂

Trichloroethylene

chclccl2

870

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

871

HClO₄

perchloric acid

hclo4

872

HSO₃F

Fluorosulfonic acid

hso3f

873

CF₃OH

trifluoromethanol

cf3oh

874

CHClCCHCl

1,3-dichloroallene

chclcchcl

875

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

876

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

877

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

878

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

879

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

880

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

881

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

882

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

883

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

884

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

885

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

886

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

887

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

888

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

889

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

890

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

891

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

892

CH₃CClCHCH₃

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

bute2cl2e

893

CH₃CClCHCH₃

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

bute2cl2z

894

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

895

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

896

C₄H₉F

1-fluorobutane

butaf1

897

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

898

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

899

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

900

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

901

XeF₄

Xenon tetrafluoride

xef4

902

C₆H₄

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

c6h4e

903

C₆H₄

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

c6h4z

904

C₆H₄

Benzyne

benzyne

905

C₆H₅

phenyl

906

C₆H₅^-

phenyl anion

phenyl-

907

C₆H₆

2,4-Hexadiyne

hexadiyne

908

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

909

C₆H₆⁺

Benzene cation

c6h6+

910

C₆H₈

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

c821078

911

C₆H₈

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

hexatri135

912

C₆H₈

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

hetr234c

913

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

914

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

915

C₆H₈

3-Methylenecyclopentene

c930267

916

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

917

C₆H₈

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

c30830207

918

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

919

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

920

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

921

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

922

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

923

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

924

C₆H₁₀

1-Hexyne

hexyne1

925

C₆H₁₀

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

hexdi24ee

926

C₆H₁₀

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

hexdi24ez

927

C₆H₁₀

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

hexdi24zz

928

C₆H₁₀

2-Hexyne

c764352

929

C₆H₁₀

cyclohexene

930

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

931

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

932

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

933

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

934

C₆H₁₂

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

dmcb12t

935

C₆H₁₂

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

dmcb13t

936

C₆H₁₂

(E)-2-Hexene

e2hexene

937

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

938

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

939

C₆H₁₂

(Z)-hex-2-ene

z2hexene

940

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

941

C₆H₁₂

3-methylenepentane

c760214

942

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

943

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

944

C₆H₁₂

Cyclohexane

cyclohexane

945

C₆H₁₂

Cyclopentane, methyl-

c96377

946

C₆H₁₂

Ethylcyclobutane

c4806615

947

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

948

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

949

C₆H₁₄

Hexane

hexane

950

C₆H₁₄

Pentane, 2-methyl-

penta2

951

C₆H₁₄

Pentane, 3-methyl-

penta3

952

C₄N₂

2-Butynedinitrile

c4n2

953

C₂H₂N₄

sym-tetrazine

ttz

954

C₃H₃N₃

1,3,5-Triazine

triazine135

955

CH₃N₅

5-Aminotetrazole

c4418615

956

C₄H₄N₂

1,3-Diazine

diazine13

957

C₄H₄N₂

Pyrazine

pyrazine

958

C₄H₄N₂

Pyridazine

pyridazine

959

C₄H₄N₂

Succinonitrile

c110612

960

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

961

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

962

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

963

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

964

C₅H₅N

E-2,4-pentadienenitrile

bdcn

965

C₅H₅N

Pyridine

pyridine

966

B₃N₃H₆

borazine

967

C₆H₆

Fulvene

fulvene

968

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

969

C₅H₇N

(E)-2-Pentenenitrile

c26294984

970

C₅H₇N

(E)-3-Pentenenitrile

c16529661

971

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

972

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

973

C₅H₇N

Cyclobutanecarbonitrile

c4426113

974

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

975

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

976

C₅H₉N

Pentanenitrile

c110598

977

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

978

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

979

C₅H₁₁N

Cyclopentanamine

cypentam

980

C₅H₁₁N

Piperidine

piper

981

C₄H₁₂N₂

1,2-Butanediamine

c4426486

982

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

983

Li₂CO₃

Lithium Carbonate

li2co3

984

Na₂CO₃

Sodium Carbonate

na2co3

985

C₂O₄^--

oxalate anion

c2o4

986

C₂H₃NO₃

Oxamic acid

oxamic

987

C₄H₄O₂

2(5H)-Furanone

furanone

988

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

989

C₂H₄N₂O₂

Oxalamide

oxalamide

990

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

991

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

992

C₄H₅NO

3-Methylisoxazole

isox3m

993

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

994

C₄H₅NS

4-Methylthiazole

c693958

995

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

996

C₅H₆O

2-methylfuran

furan2m

997

C₅H₆O

3-Methylfuran

furan3m

998

C₅H₆S

Thiophene, 2-methyl-

c554143

999

C₅H₆S

Thiophene, 3-methyl-

c616444

1000

C₄H₆O₂

2,3-Butanedione

c431038

1001

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1002

C₄H₆O₂

Crotonic Acid

crot

1003

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1004

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1005

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1006

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1007

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1008

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1009

C₄H₆OS

Vinyl sulfoxide

c1115157

1010

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1011

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1012

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1013

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1014

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1015

C₄H₇NO

2-Pyrrolidinone

c616455

1016

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1017

C₄H₇NO

Methacrylamide

c79390

1018

C₄H₇NO

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

c1120645

1019

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1020

C₃H₇ONO

Propyl nitrite

prono

1021

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1022

CH₃CH(NH₂)COOH

Alanine

alanine

1023

CH₃NHCH₂COOH

Sarcosine

sarcosine

1024

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1025

NH₂COOC₂H₅

Urethane

urethane

1026

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1027

C₅H₈O

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

c1487156

1028

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1029

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1030

C₄H₈O₂

1,3-Dioxane

dioxan13

1031

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1032

C₄H₈O₂

1,4-Dioxane

dioxan14

1033

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1034

C₄H₈OS

s-Ethyl thioacetate

c625605

1035

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1036

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1037

C₄H₉NO

Butanamide

c541355

1038

C₄H₉NO

Propanamide, 2-methyl-

c563837

1039

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1040

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1041

C₅H₁₀O

2-Pentanone

mpk

1042

C₅H₁₀O

Cyclopentanol

c96413

1043

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1044

C₅H₁₀O

Pentanal

pal

1045

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1046

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1047

C₅H₁₀S

Cyclopentanethiol

c1679078

1048

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1049

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1050

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1051

C₄H₁₀O₂

1,3-Butanediol

budiol13

1052

C₄H₁₀O₂

1,4-Butanediol

budiol14

1053

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1054

C₄H₁₀OS

Diethyl sulfoxide

c70291

1055

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1056

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1057

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1058

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1059

C₅H₁₂O

1-Pentanol

pentanol1

1060

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1061

C₅H₁₂O

2-Pentanol

peol2

1062

C₅H₁₂O

3-Pentanol

pentan3ol

1063

C₅H₁₂O

Butane, 1-methoxy-

meobu

1064

C₅H₁₂O

Propane, 1-ethoxy-

proet

1065

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1066

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1067

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1068

C₅H₁₂S

1-Pentanethiol

c110667

1069

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1070

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1071

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1072

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1073

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1074

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1075

C₅H₁₂S

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

c6163640

1076

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1077

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1078

B₂F₄

Diboron tetrafluoride

b2f4

1079

C₂F₄

Tetrafluoroethylene

c2f4

1080

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1081

C₂FCl₃

fluorotrichloroethene

c2fcl3

1082

C₂Cl₄

Tetrachloroethylene

c2cl4

1083

AsF₅

Arsenic pentafluoride

asf5

1084

PCl₅

Phosphorus pentachloride

pcl5

1085

SF₅

Sulfur pentafluoride

sf5

1086

SbCl₅

Antimony pentachloride

sbcl5

1087

BrF₅

bromine pentafluoride

brf5

1088

ClF₅

chlorinepentafluoride

clf5

1089

IF₅

pentafluoroiodine

if5

1090

CF₃CHO

trifluoroacetaldehyde

cf3cho

1091

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1092

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1093

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1094

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1095

CF₃COOH

trifluoroacetic acid

cf3cooh

1096

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1097

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1098

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1099

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1100

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1101

C₄H₈Cl₂

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

c2211678

1102

C₄H₈Cl₂

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

c4028562

1103

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1104

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1105

C₆H₅CH₂

benzyl radical

benzyl

1106

C₆H₅CH₃

toluene

1107

C₇H₈

cycloheptatriene

cht

1108

C₇H₈

Norbornadiene

norbor

1109

C₇H₈

Quadricyclane

qucy

1110

C₇H₁₂

Norbornane

nor

1111

C₇H₁₄

cycloheptane

c7h14

1112

C₇H₁₆

2-methylhexane

2mhex

1113

C₇H₁₆

3-methylhexane

hex3m

1114

C₇H₁₆

heptane

1115

C₆H₇N

2-Methylpyridine

1116

C₆H₅NH₂

aniline

1117

C₆H₁₃N

2-Methylpiperidine

pip2m

1118

C₆H₁₃N

cyclohexanamine

cham

1119

C₆H₁₅N

triethylamine

tea

1120

N₂O₅

Dinitrogen pentoxide

n2o5

1121

C₄H₂O₃

Maleic Anhydride

malan

1122

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1123

C₆H₅O

phenoxy radical

phenoxy

1124

C₅H₅NO

2(1H)-Pyridinone

c72762006

1125

C₅H₅NO

2(3H)-Pyridinone

c9000048

1126

C₅H₅NO

2(5H)-Pyridinone

c9000037

1127

C₅H₅NO

2-Pyridinol

c109104

1128

C₅H₅NO

3(2H)-Pyridinone

c9000004

1129

C₅H₅NO

3(4H)-Pyridinone

c9000026

1130

C₅H₅NO

3(6H)-Pyridinone

c9000015

1131

C₅H₅NO

3-Pyridinol

c109002

1132

C₅H₅NO

4(1H)-Pryidinone

c9000060

1133

C₅H₅NO

4(3H)-Pryidinone

c9000059

1134

C₅H₅NO

4-Pyridinol

c626642

1135

C₆H₅OH

phenol

1136

C₆H₆O

2,4-Cyclohexadienone

c24599573

1137

C₆H₅SH

Benzenethiol

phsh

1138

C₄H₈O₂S

Sulfolane

sulfolane

1139

CH(C₂H₃)₃

trivinyl methane

tvm

1140

C₆H₁₀O

cyclohexanone

chexo

1141

C₆H₁₂O

hexanal

c6h12o

1142

C₃H₇OC₃H₇

di-n-propyl ether

propr

1143

CF₃COF

trifluoroacetyl fluoride

cf3cof

1144

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1145

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1146

CF₃CHCl₂

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

cf3chcl2

1147

CHCl₂CClF₂

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

chcl2cclf2

1148

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1149

C₆H₅F

Fluorobenzene

bzf

1150

C₆H₅Cl

chlorobenzene

bzcl

1151

C₆H₅Br

bromobenzene

bzbr

1152

C₆H₅CCH

phenylacetylene

phac

1153

C₈H₆

benzocyclobutadiene

bcbd

1154

C₈H₆

Pentalene

pentalene

1155

C₆H₅CHCH₂

Styrene

styrene

1156

C₈H₈

cyclooctatetraene

cot

1157

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1158

CH₃C₆H₄CH₃

meta-xylene

mxylene

1159

CH₃C₆H₄CH₃

paraxylene

pxylene

1160

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1161

C₈H₁₆

cyclooctane

cyclooct

1162

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1163

C₈H₁₈

Octane

c8h18

1164

C₆H₅CN

phenyl cyanide

phcn

1165

C₄O₄^--

squarate dianion

c4o4--

1166

S₈

Octasulfur

1167

C₆H₄O₂

parabenzoquinone

pbq

1168

C₄H₄N₂O₂

Uracil

uracil

1169

C₆H₅OCH₃

Anisole

anisole

1170

C₆H₁₂O₂

Methyl pivalate

c598981

1171

C₆H₁₂O₂

Hexanoic acid

hexa

1172

C₄F₄

tetrafluorcyclobutadiene

c4f4

1173

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1174

CF₂ClCF₂Cl

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

cf2clcf2cl

1175

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1176

CF₂ClCFCl₂

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

cf2clcfcl2

1177

CF₃CCl₃

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

cf3ccl3

1178

C₂F₆

hexafluoroethane

c2f6

1179

IF₇

Iodine heptafluoride

if7

1180

C₆H₄F₂

metadifluorobenzene

mdfb

1181

C₆H₄F₂

orthodifluorobenzene

odfb

1182

C₉H₈

Indene

indene

1183

C₉H₈

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

snt

1184

C₉H₁₂

n-propyl benzene

prbz

1185

C₉H₂₀

Nonane

nonane

1186

C₅H₄N₄

purine

1187

C₈H₇N

Indole

indole

1188

C₆H₅NO₂

Nitrobenzene

c6h5no2

1189

C₆H₅COOH

benzoic acid

benzo

1190

CH₃COC₆H₅

acetophenone

acph

1191

C₃Cl₃N₃

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

c3cl3n3

1192

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1193

C₁₀H₁₆

adamantane

1194

C₆N₄

Tetracyanoethylene

tcne

1195

C₆N₄^-

tetracyanoethylene anion

tcne-

1196

C₄F₆

perfluorobutadiene

c4f6

1197

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1198

C₃F₈

perfluoropropane

c3f8

1199

Fe(CO)₅

Iron pentacarbonyl

ipc

1200

Fe(C₅H₅)₂

ferrocene

fecp2

1201

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1202

C₁₂H₈

Acenaphthylene

acenaph

1203

C₁₂H₁₀

biphenyl

1204

C₁₂H₁₀

Heptalene

heptalene

1205

C₆H₁₂O₆

Inositol

inositol

1206

C₆F₆

hexafluorobenzene

c6f6

1207

C₁₄H₁₀

Anthracene

anth

1208

C₁₄H₁₀

Phenanthrene

phenanthrene

1209

C₁₂H₁₀N₂

azobenzene

1210

C₁₆H₁₀

Pyrene

pyrene

1211

C₁₈H₁₂

Tetracene

tetracene

1212

C₂₄H₁₂

Coronene

coronene

1213

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. 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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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