CCCBDB List of Species with completed calculations

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List of which calculations are completed at ROMP2 /3-21G

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count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
4	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
5	He	Helium atom
6	He^-	Helium atom anion	²S	K_h
7	He⁺	Helium atom cation	²S	K_h
8	HeH⁺	Helium hydride cation	¹Σ	C_∞v
9	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
10	Li	Lithium atom	²S	K_h
11	Li⁺	Lithium atom cation	¹S	K_h
12	K	Potassium atom	²S	K_h
13	LiH⁺	lithium hydride cation	²Σ	C_∞v
14	Be⁺	Beryllium atom cation	²S	K_h
15	BeH	beryllium monohydride	²Σ	C_∞v
16	MgH	magnesium monohydride	²Σ	C_∞v
17	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
18	BeH₂⁺	Beryllium dihydride cation
19	B	Boron atom	²P	K_h
20	B	Boron atom	⁴P	K_h
21	B⁺	Boron atom cation	¹S	K_h
22	Al^-	Aluminum atom anion	³P	K_h
23	Al⁺	Aluminum atom cation	¹S	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	³Π	C_∞v
28	BH^-	boron monohydride anion	⁴Σ	C_∞v
29	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
30	BH₂^-	boron dihydride anion	³B₁	C_2v
31	BH₃⁺	boron trihydride cation	²E^'	D_3h
32	BH₃⁺	boron trihydride cation	²B₂	C_2v
33	BH₃⁺	boron trihydride cation		C_2v
34	AlH₃^-	aluminum trihydride anion	²A₂^"	D_3h
35	AlH₃^-	aluminum trihydride anion		C_3v
36	BH₄	borohydride	²B₂	C_2v
37	BH₄^-	borohydride anion	¹A₁	T_d
38	C	Carbon atom	³P₀	K_h
39	C^-	Carbon atom anion	²D	K_h
40	C⁺	Carbon atom cation	²P	K_h
41	Si^-	Silicon atom anion	⁴S	K_h
42	Ge	Germanium atom	³P	K_h
43	Ge^-	Germanium anion	⁴S	K_h
44	Sn	Tin atom
45	CH	Methylidyne	²Π_1/2	C_∞v
46	SiH	Silylidyne	²Π	C_∞v
47	GeH	germylidene	²Π	C_∞v
48	CH₂	Methylene	³B₁	C_2v
49	CH₂	Methylene	³Σ_G	D_∞h
50	CH₂^-	methylene anion	²B₁	C_2v
51	CH₂⁺	methylene cation	²A₁	C_2v
52	CH₂⁺	methylene cation	²Π	D_∞h
53	CH₃	Methyl radical	²A₁	D_3h
54	SiH₃	Silyl radical	²A₁	C_3v
55	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
56	GeH₃	Germyl radical	²A₁	C_3v
57	GeH₃⁺	germyl cation	¹A₁^'	D_3h
58	N	Nitrogen atom	⁴S	K_h
59	N	Nitrogen atom	²D	K_h
60	N^-	Nitrogen atom anion	³S	K_h
61	N⁺	Nitrogen atom cation	³P	K_h
62	As	Arsenic atomic	⁴S	K_h
63	As^-	Arsenic anion	³P	K_h
64	Sb	Antimony atom
65	PH	phosphorus monohydride	³Σ^-	C_∞v
66	AsH	Arsenic monohydride	³Σ	C_∞v
67	SbH	Antimony monohydride
68	NH₂	Amino radical	²B₁	C_2v
69	NH₂⁺	Amino cation	³B₁	C_2v
70	NH₃^-	Ammonia anion	²A₁	C_3v
71	NH₃⁺	ammonia cation	²A₂^"	D_3h
72	PH₃⁺	Phosphine cation	²A₁	C_3v
73	AsH₃⁺	Arsine cation	²A₁	C_3v
74	NH₄	Ammonium radical
75	PH₄	Phosphoranyl radical
76	O	Oxygen atom	³S	K_h
77	O^-	Oxygen atom anion	²P	K_h
78	O⁺	Oxygen atom cation	⁴S	K_h
79	Se	Selenium atom	³P	K_h
80	Se^-	Selenium atom anion	²P	K_h
81	Se⁺	Selenium atom cation	⁴S	K_h
82	Te	Tellurium atom
83	Te⁺	Tellurium atom cation
84	OH	Hydroxyl radical	²Π	C_∞v
85	OH^-	hydroxide anion	¹Σ	C_∞v
86	OH⁺	hydoxyl cation	³Σ	C_∞v
87	HSe	Selenium monohydride	²Π	C_∞v
88	HSe⁺	selenium monohydride cation	³Σ	C_∞v
89	TeH	Telluryl radical
90	H₂O^-	water anion	²A₁	C_2v
91	H₂O^-	water anion	²A^'	C_s
92	H₂O⁺	water cation	²B₁	C_2v
93	H₂Se	Hydrogen selenide	¹A₁	C_2v
94	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
95	H₃S⁺	Sulfonium cation	¹A₁	C_3v
96	F	Fluorine atom	²P	K_h
97	F^-	Fluorine atom anion	¹S	K_h
98	F⁺	Fluorine atom cation	³S	K_h
99	F⁺	Fluorine atom cation	¹D	K_h
100	Cl	Chlorine atom	²P	K_h
101	Br	Bromine atom	²P	K_h
102	Br^-	Bromine atom anion	¹S	K_h
103	Br⁺	Bromine atom cation	³P	K_h
104	I^-	Iodine atom anion	¹S	K_h
105	I⁺	Iodine atom cation	³P	K_h
106	HF^-	hydrogen fluoride anion	²Σ	C_∞v
107	HF⁺	hydrogen fluoride cation	²Π	C_∞v
108	HCl^-	hydrogen chloride anion	²Σ	C_∞v
109	HCl⁺	hydrogen chloride cation	²Π	C_∞v
110	HBr^-	hydrogen bromide anion	²Σ	C_∞v
111	HBr⁺	hydrogen bromide cation	²Π	C_∞v
112	Ne	Neon atom
113	Ne^-	Neon atom anion	²S	K_h
114	Ne⁺	Neon atom cation	²P	K_h
115	NeH	neon hydrogen	²Σ	C_∞v
116	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
117	LiBe	Lithium Beryllium	²Σ	C_∞v
118	Be₂	Beryllium diatomic	³Π_g	D_∞h
119	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
120	LiB	Lithium boride	³Π	C_∞v
121	BeB	Beryllium monoboride	²Π	C_∞v
122	B₂	Boron diatomic	³Σ_g	D_∞h
123	AlGa	Aluminum Gallium	³Σ	C_∞v
124	HBBH	Diborane(2)	³Σ_G	D_∞h
125	B₂H₆⁺	Diborane cation
126	LiC	Lithium Carbide	⁴Σ	C_∞v
127	BeC	Beryllium Carbide	³Σ^-	C_∞v
128	BeC	Beryllium Carbide
129	CaC	Calcium monocarbide
130	BC	boron monocarbide	⁴Σ^-	C_∞v
131	BC^-	boron monocarbide anion	³Π_u	C_∞v
132	BSi	Boron silicide	²Σ	C_∞v
133	C₂	Carbon diatomic	³Π_u	D_∞h
134	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
135	GeC	Germanium monocarbide	¹Σ	C_∞v
136	SiGe	Silicon Germanium
137	C₂H	Ethynyl radical	²Σ	C_∞v
138	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
139	CCH₂	vinylidene	³B₂	C_2v
140	H₂CC^-	vinylidene anion
141	HCCH^-	acetylene anion
142	HCCH^-	acetylene anion
143	C₂H₃	vinyl	²A^'	C_s
144	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
145	C₂H₄^-	Ethylene anion	²B_2g	D_2h
146	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
147	C₂H₄⁺	Ethylene cation	²B₃	D₂
148	CH₃CH	methylmethylene	³A^"	C_s
149	C₂H₅	Ethyl radical	²A^'	C_s
150	LiN	Lithium Nitride	³Σ	C_∞v
151	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
152	LiP	Lithium monophosphide
153	BeN	Beryllium mononitride	⁴Σ	C_∞v
154	BeN	Beryllium mononitride	²Π	C_∞v
155	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
156	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
157	MgN	Magnesium Nitride
158	MgN	Magnesium Nitride
159	AlP	Aluminum monophosphide	³Σ	C_∞v
160	GaAs	Gallium arsenide	³Π
161	GaAs	Gallium arsenide	¹Σ
162	BN	boron nitride	³Π	C_∞v
163	CN	Cyano radical	²Σ	C_∞v
164	SiP	Silicon monophosphide	²Π	C_∞v
165	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
166	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
167	HNB	hydrogen nitrogen boron	²Σ	C_∞v
168	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
169	HNC⁺	hydrogen isocyanide cation
170	HCP⁺	Phosphaethyne cation
171	CNH₂	Aminomethylidyne radical	²B₂	C_2v
172	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
173	H₂CN⁺	hydrocyanonium cation	¹A₁	C_2v
174	HCNH	methyleneazane	²A^'	CS cis
175	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
176	CH₂NH⁺	Methanimine cation
177	CHNH₂⁺	Aminocarbene cation
178	N₂H₄⁺	hydrazine cation	²A_G	C_2h
179	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
180	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
181	LiO	lithium oxide	²Σ	C_∞v
182	LiO^-	lithium oxide anion	¹Σ	C_∞v
183	LiO^-	lithium oxide anion	³Σ	C_∞v
184	LiO⁺	lithium oxide cation	³Σ	C_∞v
185	LiSe	Lithium monoselenide
186	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
187	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
188	BO	boron monoxide	²Σ	C_∞v
189	BO^-	boron monoxide anion	¹Σ	C_∞v
190	GaO	Gallium monoxide	²Σ	C_∞v
191	GaS	Gallium monosulfide
192	CO	Carbon monoxide	³Π	C_∞v
193	CO^-	carbon monoxide anion	²Π	C_∞v
194	CO⁺	carbon monoxide cation	²Σ	C_∞v
195	SiSe⁺	Silicon Monoselenide cation
196	NO	Nitric oxide	²Π	C_∞v
197	NO^-	nitric oxide anion	³Σ	C_∞v
198	PS	phosphorus sulfide	²Σ	C_∞v
199	O₂	Oxygen diatomic	³Σ_g	D_∞h
200	O₂^-	oxygen diatomic anion	²Π	D_∞h
201	SO	Sulfur monoxide	³Σ	C_∞v
202	SO	Sulfur monoxide	¹Σ	C_∞v
203	SO⁺	sulfur monoxide cation	²Π	C_∞v
204	S₂	Sulfur diatomic	³Σ_g	D_∞h
205	SeO	Selenium monoxide	³Σ	C_∞v
206	TeO	Tellurium monoxide
207	Se₂	Selenium diatomic	³Σ_g	D_∞h
208	Te₂	Tellurium diatomic
209	BeOH	beryllium monohydroxide	²A^'	C_s
210	COH	Hydroxymethylidyne
211	HCO	Formyl radical	²A^'	C_s
212	HCO^-	formyl anion	¹A^'	C_s
213	HCO⁺	Formyl cation	¹Σ	C_∞v
214	HNO	Nitrosyl hydride	¹A^'	C_s
215	HNO^-	Nitrosyl hydride anion	²A^"	C_s
216	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
217	NOH	Hydroxyimidogen	³A^"	C_s
218	NOH⁺	O-protonated nitric oxide	²A^'	C_s
219	HO₂	Hydroperoxy radical	²A^"	C_s
220	HO₂^-	Hydroperoxy anion	¹A^'	C_s
221	HO₂⁺	Hydroperoxy cation	³A^"	C_s
222	HO₂⁺	Hydroperoxy cation	¹A^'	C_s
223	SOH	Sulfur Hydroxide
224	SOH⁺	Sulfur Monoxide, protonated
225	H₂CO^-	formaldehyde anion	²A^'	C_s
226	H₂CO^-	formaldehyde anion
227	H₂CO⁺	formaldehyde cation	²B₂	C_2v
228	H₂CS^-	thioformaldehyde anion
229	H₂CS^-	thioformaldehyde anion
230	H₂NO	nitroxide	²B₁	C_2v
231	H₂NO	nitroxide	²A^'	C_s
232	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
233	CH₂OH	Hydroxymethyl radical	²A	C₁
234	CH₃O⁺	Methoxy cation	³A₁	C_3v
235	NH₂OH⁺	Hydroxylamine cation
236	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
237	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
238	NH₂OH₂⁺	protonated hydroxylamine
239	NH₃OH⁺	N-protonated hydroxylamine
240	NaF⁺	sodium fluoride cation	²Σ	C_∞v
241	LiF^-	lithium fluoride anion	²Σ	C_∞v
242	LiF⁺	lithium fluoride cation	²Π	C_∞v
243	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
244	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
245	CaBr	Calcium monobromide
246	GaF	Gallium monofluoride	¹Σ	C_∞v
247	GaCl	Gallium monochloride	¹Σ_G	C_∞v
248	CF	Fluoromethylidyne	²Π	C_∞v
249	SiCl	Clorosilylidyne	²Π	C_∞v
250	CBr	Carbon monobromide	²Π	C_∞v
251	GeF	Germanium monofluoride	²Π	C_∞v
252	GeCl	Germanium monochloride	²Π	C_∞v
253	SiBr	Silicon monobromide	²Π	C_∞v
254	SiBr⁺	Silicon monobromide cation
255	NCl	nitrogen monochloride	³Σ	C_∞v
256	PBr	Phosphorus monobromide
257	FO	Oxygen monofluoride	²Π	C_∞v
258	ClO	Monochlorine monoxide	²Π	C_∞v
259	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
260	SF	Monosulfur monofluoride	²Π	C_∞v
261	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
262	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
263	BrO	Bromine monoxide	²Π	C_∞v
264	BrO⁺	Bromine monoxide cation
265	SBr	Sulfur monobromide radical
266	SBr⁺	Sulfur monobromide cation
267	IO	Iodine monoxide
268	SeBr	Selenium monobromide
269	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
270	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
271	ClF⁺	clorine monofluoride cation	²Π	C_∞v
272	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
273	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
274	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
275	I₂⁺	Iodine diatomic cation	²Π_g	D_∞v
276	HCF	Fluoromethylene	³A^"	C_s
277	CH₂Br	bromomethyl radical
278	CH₂F	fluoromethyl radical	²A	C_s
279	CH₂Cl	chloromethyl radical	²A^'	C_s
280	CH₂Cl	chloromethyl radical	²B₁	C_2v
281	CH₃F⁺	methyl fluoride cation
282	CH₃Cl⁺	Methyl chloride cation
283	CH₃Br	methyl bromide	¹A₁	C_3v
284	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
285	Li₃	Lithium trimer	²B₂	C_2v
286	C₃	carbon trimer	¹A₁	C_2v
287	C₃H₃	cyclopropenyl radical	²A^'	C_s
288	C₃H₃⁺	cyclopropenyl cation	¹A₁	D_3h
289	C₃H₃⁺	Propargyl cation	¹A₁	C_2v
290	CH₃CHCH	1-propenyl radical	²A^'	C_s
291	C₃H₇	n-Propyl radical	²A^"	C₁
292	CH₃CHCH₃	Isopropyl radical	²A	C₂
293	LiCN	lithium cyanide	¹Σ	C*V LiCN
294	ZnCN	Zinc monocyanide	²Σ	C_∞v
295	ZnNC	Zinc isocyanide	²Σ	C_∞v
296	CNN	Diazocarbene
297	NCN	Cyanoimidogen	³Σ_g	D_∞h
298	N₃	azide radical	²Π_g	D_∞h
299	N₃⁺	azide cation	³Σ_g	D_∞h
300	N₃⁺	azide cation	³Σ	C_∞v
301	HCCN	cyanomethylene	³A^"	C_s
302	HCCN	cyanomethylene
303	HN₃	hydrogen azide	¹A^'	C_s
304	HN₃⁺	Hydrazoic acid cation
305	CH₃CN^-	acetonitrile anion	²E	C_3v
306	CH₃CN^-	acetonitrile anion	²A^'	C_s
307	HCNCH₂⁺	2H-Azirine cation
308	CH₂CHNH	vinylazine	²A^"	CS cis
309	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
310	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
311	LiO₂	Lithium dioxide
312	NaO₂	Sodium superoxide
313	CCO	Dicarbon monoxide	³Σ	C_∞v
314	NCO	isocyanato radical	²Π	C_∞v
315	BO₂⁺	Boron dioxide cation	³Σ_g	D_∞h
316	N₂O^-	Nitrous oxide anion	²A^'	C_s
317	N₂O⁺	Nitrous oxide cation	²Π	C_∞v
318	CO₂^-	Carbon dioxide anion	²A₁	C_2v
319	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
320	NO₂	Nitrogen dioxide	²A₁	C_2v
321	NO₂^-	Nitrogen dioxide anion	¹A₁	C_2v
322	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
323	NSO	sulfinyl amidogen
324	SNO	Nitrogen oxide sulfide
325	O₃^-	Ozone anion	²B₁	C_2v
326	SO₂	Sulfur dioxide	¹A₁	C_2v
327	S₃⁺	Sulfur trimer cation	²B₂	C_2v
328	HCCO	ketenyl radical	²Π	C_∞v
329	HCCO	ketenyl radical	²A^"	C_s
330	HCOO	formate neutral radical	²A^'	C_s
331	HOCO	Hydrocarboxyl radical	¹A^'	cis
332	HOCO	Hydrocarboxyl radical	¹A^'	trans
333	HOCO⁺	Hydrocarboxyl cation	¹A^'	C_s
334	CH₂CO⁺	Ketene cation	²B₁	C_2v
335	Be(OH)₂	Beryllium hydroxide
336	CH₂CHO	Vinyloxy radical	²A^"	C_s
337	CH₂OOH	CH2OOH radical	²A	C₁
338	C₂H₄O⁺	ethylene oxide cation
339	CH₃CHO⁺	acetaldehyde cation
340	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
341	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
342	CH₃CH₂O	Ethoxy radical	²A^'	C_s
343	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
344	CH₃OCH₂	methoxymethyl radical	²A	C₁
345	CH₃SCH₃⁺	dimethyl sulfide cation
346	FCO	Carbonyl fluoride	²A^'	C_s
347	BF₂	Boron difluoride radical	²A₁	C_2v
348	CF₂	Difluoromethylene	³B₁	C_2v
349	CF₂^-	Difluoromethylene anion	²B₁	C_2v
350	CF₂⁺	Difluoromethylene cation	²A₁	C_2v
351	FOO⁺	Fluorine dioxide cation
352	OClO	Chlorine dioxide	²B₁	D_∞h
353	OClO^-	Chlorine dioxide anion	¹A^'	C_s
354	BrOO	Bromine dioxide
355	OBrO	Bromine dioxide radical	²B₁	C_2v
356	NF₂⁺	Difluoroamino cation	¹A₁	C_2v
357	PF₂	Phosphorus difluoride
358	I₃^-	triiodide
359	HCCF⁺	fluoroacetylene cation	²Π	C_∞v
360	HFCO⁺	formyl fluoride cation	²A^'	C_s
361	CHF₂	difluoromethyl radical	²A	C_s
362	CHFCl	Chlorofluoromethyl radical
363	CHBr₂	dibromomethyl radical
364	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
365	CHClCH₃	1-chloroethyl radical	²A	C₁
366	C₄	Carbon tetramer	³Σ_g	D_∞h
367	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
368	C₂N₂⁺	Cyanogen cation	²Π_g	D_∞h
369	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
370	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
371	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
372	NO₃⁺	nitrogen trioxide cation	¹A₁^'	D_3h
373	HCO₃^-	bicarbonate anion
374	C₂H₂O₂	Ethanedial	¹A_g	C_2h
375	CH₃COCH₂	Acetonyl radical	²A^"	C_s
376	C₂H₅OO	ethylperoxy radical	²A^'	C_s
377	CH₃COCH₃^-	acetone anion	²A^'	C_s
378	CF₂O⁺	Carbonic difluoride cation
379	BF₃^-	Borane, trifluoro- anion	²A₁	D_3h
380	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
381	BF₃⁺	boron trifluoride cation	²A₂^'	D_3h
382	BF₃⁺	boron trifluoride cation
383	BCl₃⁺	Boron Trichloride cation
384	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
385	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
386	CF₂Cl	difluorochloromethyl radical
387	CFCl₂	dichlorofluoromethyl radical
388	CBr₃	tribromomethyl radical
389	NF₃	Nitrogen trifluoride	¹A₁	C_3v
390	NF₃^-	Nitrogen trifluoride anion	²A₁	C_3v
391	NF₃⁺	Nitrogen trifluoride cation	²A₁	C_3v
392	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
393	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
394	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
395	C₄H₄N	pyrrolide radical	²A₂	C_2v
396	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
397	C₃O₂⁺	Carbon suboxide cation	²Π_U	D_∞h
398	C₂HF₃⁺	Trifluoroethylene cation	²A^"	C_s
399	XeF₄	Xenon tetrafluoride
400	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
401	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
402	C₆H₅O	phenoxy radical	²B₁	C_2v
403	C₆H₅CHO	benzaldehyde	¹A^'	C_s

count

Species

Name

State

Conformation

Hydrogen atom

¹S

K_h

H^-

Hydrogen atom anion

²S

K_h

H₂^-

hydrogen diatomic anion

²Σ_u⁺

D_∞h

H₂⁺

Hydrogen cation

²Σ_g⁺

D_∞h

Helium atom

He^-

Helium atom anion

²S

K_h

He⁺

Helium atom cation

²S

K_h

HeH⁺

Helium hydride cation

¹Σ

C_∞v

He₂⁺

helium diatomic cation

²Σ_u

D_∞h

Lithium atom

²S

K_h

Li⁺

Lithium atom cation

¹S

K_h

Potassium atom

²S

K_h

LiH⁺

lithium hydride cation

²Σ

C_∞v

Be⁺

Beryllium atom cation

²S

K_h

BeH

beryllium monohydride

²Σ

C_∞v

MgH

magnesium monohydride

²Σ

C_∞v

BeH₂⁺

Beryllium dihydride cation

²Σ

C_∞v

BeH₂⁺

Beryllium dihydride cation

Boron atom

²P

K_h

Boron atom

⁴P

K_h

B⁺

Boron atom cation

¹S

K_h

Al^-

Aluminum atom anion

³P

K_h

Al⁺

Aluminum atom cation

¹S

K_h

Gallium atom

²P

Ga^-

Gallium atom anion

³P

O_h

Ga⁺

Gallium atom cation

¹S

Boron monohydride

³Π

C_∞v

BH^-

boron monohydride anion

⁴Σ

C_∞v

GaH⁺

Gallium monohydride cation

²Σ

C_∞v

BH₂^-

boron dihydride anion

³B₁

C_2v

BH₃⁺

boron trihydride cation

²E^'

D_3h

BH₃⁺

boron trihydride cation

²B₂

C_2v

BH₃⁺

boron trihydride cation

C_2v

AlH₃^-

aluminum trihydride anion

²A₂^"

D_3h

AlH₃^-

aluminum trihydride anion

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

C⁺

Carbon atom cation

²P

K_h

Si^-

Silicon atom anion

⁴S

K_h

Germanium atom

³P

K_h

Ge^-

Germanium anion

⁴S

K_h

Tin atom

Methylidyne

²Π_1/2

C_∞v

SiH

Silylidyne

²Π

C_∞v

GeH

germylidene

²Π

C_∞v

CH₂

Methylene

³B₁

C_2v

CH₂

Methylene

³Σ_G

D_∞h

CH₂^-

methylene anion

²B₁

C_2v

CH₂⁺

methylene cation

²A₁

C_2v

CH₂⁺

methylene cation

²Π

D_∞h

CH₃

Methyl radical

²A₁

D_3h

SiH₃

Silyl radical

²A₁

C_3v

SiH₃⁺

Silyl cation

¹A₁^'

D_3h

GeH₃

Germyl radical

²A₁

C_3v

GeH₃⁺

germyl cation

¹A₁^'

D_3h

Nitrogen atom

⁴S

K_h

Nitrogen atom

²D

K_h

N^-

Nitrogen atom anion

³S

K_h

N⁺

Nitrogen atom cation

³P

K_h

Arsenic atomic

⁴S

K_h

As^-

Arsenic anion

³P

K_h

Antimony atom

phosphorus monohydride

³Σ^-

C_∞v

AsH

Arsenic monohydride

³Σ

C_∞v

SbH

Antimony monohydride

NH₂

Amino radical

²B₁

C_2v

NH₂⁺

Amino cation

³B₁

C_2v

NH₃^-

Ammonia anion

²A₁

C_3v

NH₃⁺

ammonia cation

²A₂^"

D_3h

PH₃⁺

Phosphine cation

²A₁

C_3v

AsH₃⁺

Arsine cation

²A₁

C_3v

NH₄

Ammonium radical

PH₄

Phosphoranyl radical

Oxygen atom

³S

K_h

O^-

Oxygen atom anion

²P

K_h

O⁺

Oxygen atom cation

⁴S

K_h

Selenium atom

³P

K_h

Se^-

Selenium atom anion

²P

K_h

Se⁺

Selenium atom cation

⁴S

K_h

Tellurium atom

Te⁺

Tellurium atom cation

Hydroxyl radical

²Π

C_∞v

OH^-

hydroxide anion

¹Σ

C_∞v

OH⁺

hydoxyl cation

³Σ

C_∞v

HSe

Selenium monohydride

²Π

C_∞v

HSe⁺

selenium monohydride cation

³Σ

C_∞v

TeH

Telluryl radical

H₂O^-

water anion

²A₁

C_2v

H₂O^-

water anion

²A^'

C_s

H₂O⁺

water cation

²B₁

C_2v

H₂Se

Hydrogen selenide

¹A₁

C_2v

H₂Se⁺

Hydrogen selenide cation

²B₁

C_2v

H₃S⁺

Sulfonium cation

¹A₁

C_3v

Fluorine atom

²P

K_h

F^-

Fluorine atom anion

¹S

K_h

F⁺

Fluorine atom cation

³S

K_h

F⁺

Fluorine atom cation

¹D

K_h

100

Chlorine atom

²P

K_h

101

Bromine atom

²P

K_h

102

Br^-

Bromine atom anion

¹S

K_h

103

Br⁺

Bromine atom cation

³P

K_h

104

I^-

Iodine atom anion

¹S

K_h

105

I⁺

Iodine atom cation

³P

K_h

106

HF^-

hydrogen fluoride anion

²Σ

C_∞v

107

HF⁺

hydrogen fluoride cation

²Π

C_∞v

108

HCl^-

hydrogen chloride anion

²Σ

C_∞v

109

HCl⁺

hydrogen chloride cation

²Π

C_∞v

110

HBr^-

hydrogen bromide anion

²Σ

C_∞v

111

HBr⁺

hydrogen bromide cation

²Π

C_∞v

112

Neon atom

113

Ne^-

Neon atom anion

²S

K_h

114

Ne⁺

Neon atom cation

²P

K_h

115

NeH

neon hydrogen

²Σ

C_∞v

116

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

117

LiBe

Lithium Beryllium

²Σ

C_∞v

118

Be₂

Beryllium diatomic

³Π_g

D_∞h

119

Be₂^-

Beryllium diatomic anion

²Π_u

D_∞h

120

LiB

Lithium boride

³Π

C_∞v

121

BeB

Beryllium monoboride

²Π

C_∞v

122

B₂

Boron diatomic

³Σ_g

D_∞h

123

AlGa

Aluminum Gallium

³Σ

C_∞v

124

HBBH

Diborane(2)

³Σ_G

D_∞h

125

B₂H₆⁺

Diborane cation

126

LiC

Lithium Carbide

⁴Σ

C_∞v

127

BeC

Beryllium Carbide

³Σ^-

C_∞v

128

BeC

Beryllium Carbide

129

CaC

Calcium monocarbide

130

boron monocarbide

⁴Σ^-

C_∞v

131

BC^-

boron monocarbide anion

³Π_u

C_∞v

132

BSi

Boron silicide

²Σ

C_∞v

133

C₂

Carbon diatomic

³Π_u

D_∞h

134

C₂⁺

carbon diatomic cation

⁴Σ_g

D_∞h

135

GeC

Germanium monocarbide

¹Σ

C_∞v

136

SiGe

Silicon Germanium

137

C₂H

Ethynyl radical

²Σ

C_∞v

138

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

139

CCH₂

vinylidene

³B₂

C_2v

140

H₂CC^-

vinylidene anion

141

HCCH^-

acetylene anion

142

HCCH^-

acetylene anion

143

C₂H₃

vinyl

²A^'

C_s

144

C₂H₃⁺

vinyl cation

¹A₁

C2V bridging H

145

C₂H₄^-

Ethylene anion

²B_2g

D_2h

146

C₂H₄⁺

Ethylene cation

²B_3u

D_2h

147

C₂H₄⁺

Ethylene cation

²B₃

D₂

148

CH₃CH

methylmethylene

³A^"

C_s

149

C₂H₅

Ethyl radical

²A^'

C_s

150

LiN

Lithium Nitride

³Σ

C_∞v

151

LiN⁺

Lithium Nitride cation

⁴Σ

C_∞v

152

LiP

Lithium monophosphide

153

BeN

Beryllium mononitride

⁴Σ

C_∞v

154

BeN

Beryllium mononitride

²Π

C_∞v

155

BeN^-

Beryllium mononitride anion

¹Σ

C_∞v

156

BeN⁺

Beryllium mononitride cation

¹Σ

C_∞v

157

MgN

Magnesium Nitride

158

MgN

Magnesium Nitride

159

AlP

Aluminum monophosphide

³Σ

C_∞v

160

GaAs

Gallium arsenide

³Π

161

GaAs

Gallium arsenide

¹Σ

162

boron nitride

³Π

C_∞v

163

Cyano radical

²Σ

C_∞v

164

SiP

Silicon monophosphide

²Π

C_∞v

165

N₂^-

nitrogen diatomic anion

²Π_g

D_∞h

166

N₂⁺

diatomic nitrogen cation

²Σ_g

D_∞h

167

HNB

hydrogen nitrogen boron

²Σ

C_∞v

168

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

169

HNC⁺

hydrogen isocyanide cation

170

HCP⁺

Phosphaethyne cation

171

CNH₂

Aminomethylidyne radical

²B₂

C_2v

172

H₂CN

Dihydrogen cyanide radical

²B₂

C_2v

173

H₂CN⁺

hydrocyanonium cation

¹A₁

C_2v

174

HCNH

methyleneazane

²A^'

CS cis

175

N₂H₂⁺

trans-diazene cation

²A_G

C_2h

176

CH₂NH⁺

Methanimine cation

177

CHNH₂⁺

Aminocarbene cation

178

N₂H₄⁺

hydrazine cation

²A_G

C_2h

179

CH₃NH₂⁺

methyl amine cation

²A^'

C_s

180

CH₃NH₃

methyl ammonium radical

²A₁

C_3v

181

LiO

lithium oxide

²Σ

C_∞v

182

LiO^-

lithium oxide anion

¹Σ

C_∞v

183

LiO^-

lithium oxide anion

³Σ

C_∞v

184

LiO⁺

lithium oxide cation

³Σ

C_∞v

185

LiSe

Lithium monoselenide

186

BeO^-

Beryllium monoxide anion

²Σ

C_∞v

187

BeO⁺

Beryllium monoxide cation

²Π

C_∞v

188

boron monoxide

²Σ

C_∞v

189

BO^-

boron monoxide anion

¹Σ

C_∞v

190

GaO

Gallium monoxide

²Σ

C_∞v

191

GaS

Gallium monosulfide

192

Carbon monoxide

³Π

C_∞v

193

CO^-

carbon monoxide anion

²Π

C_∞v

194

CO⁺

carbon monoxide cation

²Σ

C_∞v

195

SiSe⁺

Silicon Monoselenide cation

196

Nitric oxide

²Π

C_∞v

197

NO^-

nitric oxide anion

³Σ

C_∞v

198

phosphorus sulfide

²Σ

C_∞v

199

O₂

Oxygen diatomic

³Σ_g

D_∞h

200

O₂^-

oxygen diatomic anion

²Π

D_∞h

201

Sulfur monoxide

³Σ

C_∞v

202

Sulfur monoxide

¹Σ

C_∞v

203

SO⁺

sulfur monoxide cation

²Π

C_∞v

204

S₂

Sulfur diatomic

³Σ_g

D_∞h

205

SeO

Selenium monoxide

³Σ

C_∞v

206

TeO

Tellurium monoxide

207

Se₂

Selenium diatomic

³Σ_g

D_∞h

208

Te₂

Tellurium diatomic

209

BeOH

beryllium monohydroxide

²A^'

C_s

210

COH

Hydroxymethylidyne

211

HCO

Formyl radical

²A^'

C_s

212

HCO^-

formyl anion

¹A^'

C_s

213

HCO⁺

Formyl cation

¹Σ

C_∞v

214

HNO

Nitrosyl hydride

¹A^'

C_s

215

HNO^-

Nitrosyl hydride anion

²A^"

C_s

216

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

217

NOH

Hydroxyimidogen

³A^"

C_s

218

NOH⁺

O-protonated nitric oxide

²A^'

C_s

219

HO₂

Hydroperoxy radical

²A^"

C_s

220

HO₂^-

Hydroperoxy anion

¹A^'

C_s

221

HO₂⁺

Hydroperoxy cation

³A^"

C_s

222

HO₂⁺

Hydroperoxy cation

¹A^'

C_s

223

SOH

Sulfur Hydroxide

224

SOH⁺

Sulfur Monoxide, protonated

225

H₂CO^-

formaldehyde anion

²A^'

C_s

226

H₂CO^-

formaldehyde anion

227

H₂CO⁺

formaldehyde cation

²B₂

C_2v

228

H₂CS^-

thioformaldehyde anion

229

H₂CS^-

thioformaldehyde anion

230

H₂NO

nitroxide

²B₁

C_2v

231

H₂NO

nitroxide

²A^'

C_s

232

H₂O₂⁺

Hydrogen peroxide cation

²B_g

C_2h

233

CH₂OH

Hydroxymethyl radical

²A

C₁

234

CH₃O⁺

Methoxy cation

³A₁

C_3v

235

NH₂OH⁺

Hydroxylamine cation

236

CH₃OH^-

Methyl alcohol anion

²A^'

C_s

237

CH₃OH⁺

Methyl alcohol cation

²A^"

C_s

238

NH₂OH₂⁺

protonated hydroxylamine

239

NH₃OH⁺

N-protonated hydroxylamine

240

NaF⁺

sodium fluoride cation

²Σ

C_∞v

241

LiF^-

lithium fluoride anion

²Σ

C_∞v

242

LiF⁺

lithium fluoride cation

²Π

C_∞v

243

BeF^-

Beryllium monofluoride anion

¹Σ

C_∞v

244

BeF⁺

Beryllium monofluoride cation

¹Σ

C_∞v

245

CaBr

Calcium monobromide

246

GaF

Gallium monofluoride

¹Σ

C_∞v

247

GaCl

Gallium monochloride

¹Σ_G

C_∞v

248

Fluoromethylidyne

²Π

C_∞v

249

SiCl

Clorosilylidyne

²Π

C_∞v

250

CBr

Carbon monobromide

²Π

C_∞v

251

GeF

Germanium monofluoride

²Π

C_∞v

252

GeCl

Germanium monochloride

²Π

C_∞v

253

SiBr

Silicon monobromide

²Π

C_∞v

254

SiBr⁺

Silicon monobromide cation

255

NCl

nitrogen monochloride

³Σ

C_∞v

256

PBr

Phosphorus monobromide

257

Oxygen monofluoride

²Π

C_∞v

258

ClO

Monochlorine monoxide

²Π

C_∞v

259

ClO⁺

chlorine monoxide cation

³Σ

C_∞v

260

Monosulfur monofluoride

²Π

C_∞v

261

SF⁺

sulfur monofluoride cation

³Σ

C_∞v

262

SCl⁺

sulfur monochloride cation

³Σ_g

C_∞v

263

BrO

Bromine monoxide

²Π

C_∞v

264

BrO⁺

Bromine monoxide cation

265

SBr

Sulfur monobromide radical

266

SBr⁺

Sulfur monobromide cation

267

Iodine monoxide

268

SeBr

Selenium monobromide

269

F₂^-

flourine diatomic anion

²Σ_u

D_∞h

270

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

271

ClF⁺

clorine monofluoride cation

²Π

C_∞v

272

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

273

Br₂^-

bromine diatomic anion

²Σ_u

D_∞h

274

Br₂⁺

bromine diatomic cation

²Π_g

D_∞h

275

I₂⁺

Iodine diatomic cation

²Π_g

D_∞v

276

HCF

Fluoromethylene

³A^"

C_s

277

CH₂Br

bromomethyl radical

278

CH₂F

fluoromethyl radical

²A

C_s

279

CH₂Cl

chloromethyl radical

²A^'

C_s

280

CH₂Cl

chloromethyl radical

²B₁

C_2v

281

CH₃F⁺

methyl fluoride cation

282

CH₃Cl⁺

Methyl chloride cation

283

CH₃Br

methyl bromide

¹A₁

C_3v

284

Ne₂⁺

Neon diatomic cation

²Σ_u

D_∞h

285

Li₃

Lithium trimer

²B₂

C_2v

286

C₃

carbon trimer

¹A₁

C_2v

287

C₃H₃

cyclopropenyl radical

²A^'

C_s

288

C₃H₃⁺

cyclopropenyl cation

¹A₁

D_3h

289

C₃H₃⁺

Propargyl cation

¹A₁

C_2v

290

CH₃CHCH

1-propenyl radical

²A^'

C_s

291

C₃H₇

n-Propyl radical

²A^"

C₁

292

CH₃CHCH₃

Isopropyl radical

²A

C₂

293

LiCN

lithium cyanide

¹Σ

C*V LiCN

294

ZnCN

Zinc monocyanide

²Σ

C_∞v

295

ZnNC

Zinc isocyanide

²Σ

C_∞v

296

CNN

Diazocarbene

297

NCN

Cyanoimidogen

³Σ_g

D_∞h

298

N₃

azide radical

²Π_g

D_∞h

299

N₃⁺

azide cation

³Σ_g

D_∞h

300

N₃⁺

azide cation

³Σ

C_∞v

301

HCCN

cyanomethylene

³A^"

C_s

302

HCCN

cyanomethylene

303

HN₃

hydrogen azide

¹A^'

C_s

304

HN₃⁺

Hydrazoic acid cation

305

CH₃CN^-

acetonitrile anion

²E

C_3v

306

CH₃CN^-

acetonitrile anion

²A^'

C_s

307

HCNCH₂⁺

2H-Azirine cation

308

CH₂CHNH

vinylazine

²A^"

CS cis

309

CH₃CHN

methylmethaniminyl radical

²A^'

C_s

310

Li₂O⁺

dilithium oxide cation

²Π

D_∞h

311

LiO₂

Lithium dioxide

312

NaO₂

Sodium superoxide

313

CCO

Dicarbon monoxide

³Σ

C_∞v

314

NCO

isocyanato radical

²Π

C_∞v

315

BO₂⁺

Boron dioxide cation

³Σ_g

D_∞h

316

N₂O^-

Nitrous oxide anion

²A^'

C_s

317

N₂O⁺

Nitrous oxide cation

²Π

C_∞v

318

CO₂^-

Carbon dioxide anion

²A₁

C_2v

319

CO₂⁺

Carbon dioxide cation

²Π_g

D_∞h

320

NO₂

Nitrogen dioxide

²A₁

C_2v

321

NO₂^-

Nitrogen dioxide anion

¹A₁

C_2v

322

NO₂⁺

Nitrogen dioxide cation

¹Σ_G

D_∞h

323

NSO

sulfinyl amidogen

324

SNO

Nitrogen oxide sulfide

325

O₃^-

Ozone anion

²B₁

C_2v

326

SO₂

Sulfur dioxide

¹A₁

C_2v

327

S₃⁺

Sulfur trimer cation

²B₂

C_2v

328

HCCO

ketenyl radical

²Π

C_∞v

329

HCCO

ketenyl radical

²A^"

C_s

330

HCOO

formate neutral radical

²A^'

C_s

331

HOCO

Hydrocarboxyl radical

¹A^'

cis

332

HOCO

Hydrocarboxyl radical

¹A^'

trans

333

HOCO⁺

Hydrocarboxyl cation

¹A^'

C_s

334

CH₂CO⁺

Ketene cation

²B₁

C_2v

335

Be(OH)₂

Beryllium hydroxide

336

CH₂CHO

Vinyloxy radical

²A^"

C_s

337

CH₂OOH

CH2OOH radical

²A

C₁

338

C₂H₄O⁺

ethylene oxide cation

339

CH₃CHO⁺

acetaldehyde cation

340

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

341

CH₂CH₂OH

2-hydroxy ethyl radical

²A^'

C_s

342

CH₃CH₂O

Ethoxy radical

²A^'

C_s

343

CH₃CHOH

1-hydroxy-ethyl radical

²A

C₁

344

CH₃OCH₂

methoxymethyl radical

²A

C₁

345

CH₃SCH₃⁺

dimethyl sulfide cation

346

FCO

Carbonyl fluoride

²A^'

C_s

347

BF₂

Boron difluoride radical

²A₁

C_2v

348

CF₂

Difluoromethylene

³B₁

C_2v

349

CF₂^-

Difluoromethylene anion

²B₁

C_2v

350

CF₂⁺

Difluoromethylene cation

²A₁

C_2v

351

FOO⁺

Fluorine dioxide cation

352

OClO

Chlorine dioxide

²B₁

D_∞h

353

OClO^-

Chlorine dioxide anion

¹A^'

C_s

354

BrOO

Bromine dioxide

355

OBrO

Bromine dioxide radical

²B₁

C_2v

356

NF₂⁺

Difluoroamino cation

¹A₁

C_2v

357

PF₂

Phosphorus difluoride

358

I₃^-

triiodide

359

HCCF⁺

fluoroacetylene cation

²Π

C_∞v

360

HFCO⁺

formyl fluoride cation

²A^'

C_s

361

CHF₂

difluoromethyl radical

²A

C_s

362

CHFCl

Chlorofluoromethyl radical

363

CHBr₂

dibromomethyl radical

364

CH₂CHF

Ethene, fluoro-

¹A^'

C_s

365

CHClCH₃

1-chloroethyl radical

²A

C₁

366

C₄

Carbon tetramer

³Σ_g

D_∞h

367

C₄H₂⁺

diacetlyene cation

²Π_g

D_∞h

368

C₂N₂⁺

Cyanogen cation

²Π_g

D_∞h

369

HCCCN⁺

Cyanoacetylene cation

²Π

C_∞v

370

C₃H₃N⁺

acrylonitrile cation

²A^"

C_s

371

NO₃⁺

nitrogen trioxide cation

¹A₁

C_2v

372

NO₃⁺

nitrogen trioxide cation

¹A₁^'

D_3h

373

HCO₃^-

bicarbonate anion

374

C₂H₂O₂

Ethanedial

¹A_g

C_2h

375

CH₃COCH₂

Acetonyl radical

²A^"

C_s

376

C₂H₅OO

ethylperoxy radical

²A^'

C_s

377

CH₃COCH₃^-

acetone anion

²A^'

C_s

378

CF₂O⁺

Carbonic difluoride cation

379

BF₃^-

Borane, trifluoro- anion

²A₁

D_3h

380

BF₃^-

Borane, trifluoro- anion

²A₁

C_3v

381

BF₃⁺

boron trifluoride cation

²A₂^'

D_3h

382

BF₃⁺

boron trifluoride cation

383

BCl₃⁺

Boron Trichloride cation

384

CF₃^-

Trifluoromethyl anion

¹A₁

C_3v

385

CF₃⁺

Trifluoromethyl cation

¹A₁^'

D_3h

386

CF₂Cl

difluorochloromethyl radical

387

CFCl₂

dichlorofluoromethyl radical

388

CBr₃

tribromomethyl radical

389

NF₃

Nitrogen trifluoride

¹A₁

C_3v

390

NF₃^-

Nitrogen trifluoride anion

²A₁

C_3v

391

NF₃⁺

Nitrogen trifluoride cation

²A₁

C_3v

392

NBr₃

Nitrogen Tribromide

¹A₁

C_3v

393

C₂H₄F₂

1,2-difluoroethane

¹A_g

C2H anti

394

C₃H₃N₂

imidazolyl radical

²B₁

C_2v

395

C₄H₄N

pyrrolide radical

²A₂

C_2v

396

C₃H₄N₂

1H-Imidazole

¹A^'

C_s

397

C₃O₂⁺

Carbon suboxide cation

²Π_U

D_∞h

398

C₂HF₃⁺

Trifluoroethylene cation

²A^"

C_s

399

XeF₄

Xenon tetrafluoride

400

C₆H₈

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

¹A^'

C_2h

401

C₇H₇

cycloheptatrienyl radical

²A₂

C_2v

402

C₆H₅O

phenoxy radical

²B₁

C_2v

403

C₆H₅CHO

benzaldehyde

¹A^'

C_s

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H⁺	Hydrogen atom cation	h+
5	D₂	Deuterium diatomic	d2
6	H₂	Hydrogen diatomic	h2
7	HD	Deuterium hydride	hd
8	H₃⁺	hydrogen trimer cation	h3+
9	He	Helium atom	he
10	HeH	Helium hydride	heh
11	Li^-	Lithium atom anion	li-
12	Na	Sodium atom	na
13	Na⁺	Sodium atom cation	na+
14	Cu	Copper atom	cu
15	Cu^-	Copper atom anion	cu-
16	Cu⁺	Copper atom cation	cu+
17	LiH	Lithium Hydride	lih
18	LiH^-	lithium hydride anion	lih-
19	NaH	sodium hydride	nah
20	NaH^-	sodium hydride anion	nah-
21	KH	Potassium hydride	kh
22	KH⁺	Potassium hydrogen cation	kh+
23	CuH	Copper monohydride	cuh
24	Be	Beryllium atom	be
25	Be^-	Beryllium atom anion	be-
26	Mg	Magnesium atom	mg
27	Ca	Calcium atom	ca
28	Zn	Zinc atom	zn
29	Zn^-	Zinc atom anion	zn-
30	Zn⁺	Zinc atom cation	zn+
31	BeH^-	berylium monohydride anion	beh-
32	BeH⁺	beryllium monohydride cation	beh+
33	MgH^-	magnesium monohydride anion	mgh-
34	MgH⁺	magnesium monohydride cation	mgh+
35	CaH⁺	Calcium monohydride cation	cah+
36	TiH	Titanium monohydride	tih
37	ZnH	Zinc monohydride	znh
38	ZnH⁺	Zinc, protonated	znh+
39	BeH₂	beryllium dihydride	beh2
40	MgH₂	magnesium dihydride	mgh2
41	CaH₂	Calcium Hydride	cah2
42	ZnH₂	Zinc hydride	znh2
43	B^-	Boron atom anion	b-
44	Al	Aluminum atom	al
45	Sc	Scandium atom	sc
46	Sc⁺	Scandium cation	sc+
47	BH	Boron monohydride	bh
48	BH^-	boron monohydride anion	bh-
49	BH⁺	boron monohydride cation	bh+
50	AlH	aluminum monohydride	alh
51	AlH^-	aluminum monohydride anion	alh-
52	AlH⁺	aluminum monohydride cation	alh+
53	ScH	Scandium monohydride	sch
54	ScH⁺	Scandium monohydride cation	sch+
55	GaH	Gallium monohydride	gah
56	BH₂	boron dihydride	bh2
57	BH₂⁺	Boron dihydride cation	bh2+
58	AlH₂	aluminum dihydride	alh2
59	BH₃	boron trihydride	bh3
60	BH₃^-	boron trihydride anion	bh3-
61	AlH₃	aluminum trihydride	alh3
62	ScH₃	Scandium trihydride	sch3
63	GaH₃	Gallium trihydride	gah3
64	AlH₄^-	Aluminum tetrahydride anion	alh4-
65	C^-	Carbon atom anion	c-
66	Si	Silicon atom	si
67	Ti	Titanium atom	ti
68	Ti^-	Titanium atom anion	ti-
69	Ti⁺	Titanium atom cation	ti+
70	Ge⁺	Germanium cation	ge+
71	CH^-	methylidyne anion	ch-
72	CH⁺	Methylidyne cation	ch+
73	SiH^-	silicon monohydride anion	sih-
74	SiH⁺	silicon monohydride cation	sih+
75	GeH⁺	Germaniun monohyrdide cation	geh+
76	SiH₂	silicon dihydride	sih2
77	SiH₂^-	silicon dihydride anion	sih2-
78	SiH₂⁺	silicon dihydride cation	sih2+
79	GeH₂	germylene	geh2
80	GeH₂^-	germylene anion	geh2-
81	CH₃^-	methyl anion	ch3-
82	CH₃⁺	methyl cation	ch3+
83	SiH₃^-	Silyl anion	sih3-
84	CD₄	methane-d4	cd4
85	CH₂D₂	methane-d2	ch2d2
86	CH₃D	methane-d	ch3d
87	CH₄	Methane	ch4
88	CH₄^-	Methane anion	ch4-
89	CH₄⁺	Methane cation	ch4+
90	CHD₃	methane-d3	chd3
91	SiH₂D₂	silane-d2	sih2d2
92	SiH₄	Silane	sih4
93	GeH₄	Germane	geh4
94	SnH₄	Stannane	snh4
95	SiH₅⁺	Silane, protonated	sih5+
96	V⁺	Vanadium atom cation	v+
97	NH	Imidogen	nh
98	NH^-	Imidogen anion	nh-
99	NH⁺	imidogen cation	nh+
100	PH^-	phosphorus monohydride anion	ph-
101	PH⁺	phosphorus monohydride cation	ph+
102	AsH⁺	Arsenic monohydride cation	ash+
103	ND₂	Amidogen-d2	nd2
104	NH₂^-	amino anion	nh2-
105	PH₂	Phosphino radical	ph2
106	AsH₂⁺	Arsenic dihydride cation	ash2+
107	ND₃	Ammonia-d3	nd3
108	NH₃	Ammonia	nh3
109	PH₃	Phosphine	ph3
110	AsH₃	Arsine	ash3
111	SbH₃	Stibine	sbh3
112	AsH₄⁺	Arsonium	ash4+
113	NH₄⁺	ammonium cation	nh4+
114	PH₄⁺	phosphonium cation	ph4+
115	S^-	Sulfur atom anion	s-
116	Cr	Chromium atom	cr
117	DO	Hydroxyl-d	od
118	DS	Mercapto-d	ds
119	HS	Mercapto radical	hs
120	HS^-	mercapto anion	sh-
121	HS⁺	sulfur monohydride cation	sh+
122	CrH⁺	Chromium hydride cation	crh+
123	HSe^-	selenium monohydride anion	hse-
124	D₂O	Deuterium oxide	d2o
125	H₂O	Water	h2o
126	HDO	Water-d1	hdo
127	D₂S	Hydrogen sulfide-d2	d2s
128	H₂S	Hydrogen sulfide	h2s
129	H₂S⁺	Hydrogen sulfide cation	h2s+
130	H₂Te	Hydrogen Telluride	h2te
131	H₃O⁺	hydronium cation	h3o+
132	H₃Se⁺	Hydrogen Selenide, protonated	h3se+
133	Cl^-	Chlorine atom anion	cl-
134	Mn	Manganese atom	mn
135	I	Iodine atom	iodine
136	DF	Hydrofluoric acid-d	df
137	HF	Hydrogen fluoride	hf
138	DCl	Hydrochloric acid-d	dcl
139	HCl	Hydrogen chloride	hcl
140	HBr	hydrogen bromide	hbr
141	HI	Hydrogen iodide	hi
142	HI⁺	Hydrogen iodide cation	hi+
143	H₂F⁺	dihydrogen fluoride cation	h2f+
144	H₂Cl⁺	dihydrogen monochloride cation	h2cl+
145	H₂Br⁺	protonated hydrogen bromide	h2br+
146	H₂I⁺	Iodonium	h2i+
147	Ne	Neon atom	ne
148	Ar	Argon atom	ar
149	Fe	Iron atom	fe
150	Kr	Krypton atom	kr
151	Kr⁺	Krypton cation	kr+
152	Xe	Xenon atom	xe
153	HeLi⁺	Helium Lithium cation	heli+
154	NeH⁺	neon hydrogen cation	neh+
155	KrH⁺	Protonated Krypton	krh+
156	XeH⁺	Xenon, protonated	xeh+
157	H₂Ar	H2 Ar dimer	h2ar
158	Co	Cobalt atom	cobalt
159	Ni	Nickel atom	ni
160	Li₂	Lithium diatomic	li2
161	Li₂^-	lithium diatomic anion	li2-
162	NaLi	lithium sodium	lina
163	NaLi^-	lithium sodium anion	lina-
164	NaLi⁺	lithium sodium cation	lina+
165	LiK	Lithium Potassium	lik
166	Na₂	Sodium diatomic	na2
167	Na₂⁺	sodium diatomic cation	na2+
168	NaK	Sodium Potassium	nak
169	NaK⁺	Sodium Potassium diatomic cation	nak+
170	K₂	Potassium diatomic	k2
171	Cu₂	Copper diatomic	cu2
172	LiMg	Lithium magnesium	limg
173	NaBe	Sodium Beryllium	nabe
174	NaMg	Sodium Magnesium	namg
175	Be₂	Beryllium diatomic	be2
176	Be₂⁺	Beryllium diatomic cation	be2+
177	BeMg	Beryllium Magnesium	bemg
178	Mg₂	Magnesium diatomic	mg2
179	Mg₂^-	magnesium diatomic anion	mg2-
180	Mg₂⁺	magnesium diatomic cation	mg2+
181	Ca₂	Calcium diatomic	ca2
182	LiAl	Lithium Aluminum	lial
183	NaAl	Sodium aluminum	naal
184	B₂^-	Boron diatomic anion	b2-
185	BAl	Boron Aluminum	bal
186	Al₂	Aluminum diatomic	al2
187	Al₂^-	aluminum diatomic anion	al2-
188	Al₂⁺	aluminum diatomic cation	al2+
189	BGa	Boron Gallium	bga
190	Ga₂	Gallium diatomic	ga2
191	LiBH₄	Lithium borohydride	libh4
192	B₂H₄	Diborane(4) D2d	b2h4
193	HBHHBH	Diborane(4) C2V	hbhhbh
194	B₂H₆	Diborane	b2h6
195	Al₂H₆	dialane	al2h6
196	Ga₂H₆	digallane	ga2h6
197	BC⁺	boron monocarbide cation	bc+
198	AlC	Aluminum carbide	alc
199	BSi	Boron silicide	bsi
200	C₂	Carbon diatomic	c2
201	C₂^-	carbon diatomic anion	c2-
202	SiC^-	silicon monocarbide anion	sic-
203	Si₂	Silicon diatomic	si2
204	Si₂^-	silcon diatomic anion	si2-
205	Si₂⁺	silcon diatomic cation	si2+
206	Ge₂	Germanium diatomic	ge2
207	C₂H^-	Ethynyl anion	c2h-
208	C₂H⁺	Ethynyl cation	c2h+
209	ZnCH₂	Zinc methylene	znch2
210	C₂H₂	Acetylene	c2h2
211	CCH₂	vinylidene	vinylidene
212	Si₂H₂	disilyne	si2h2
213	CH₃Li	methyl lithium	ch3li
214	CuCH₃	monomethyl copper	cuch3
215	ZnCH₃	Zinc monomethyl	znch3
216	CH₂BH	methyleneborane	ch2bh
217	C₂H₃^-	vinyl anion	c2h3-
218	C₂H₄	Ethylene	c2h4
219	Si₂H₄	Disilene	si2h4
220	CH₃BH₂	methylborane	ch3bh2
221	C₂H₅^-	Ethyl anion	c2h5-
222	C₂H₅⁺	Ethyl cation	c2h5+
223	C₂H₆	Ethane	c2h6
224	CH₃SiH₃	methyl silane	ch3sih3
225	Si₂H₆	disilane	si2h6
226	GeH₃CH₃	methyl germane	geh3ch3
227	C₂H₇⁺	Ethane, protonated	c2h7+
228	BeN⁺	Beryllium mononitride cation	ben+
229	BN^-	boron nitride anion	bn-
230	AlN^-	aluminum mononitride anion	aln-
231	AlN⁺	aluminum mononitride cation	aln+
232	BP	Boron monophosphide	bp
233	GaP	Gallium monophosphide	gap
234	BN⁺	boron nitride cation	bn+
235	AlN	Aluminum nitride	aln
236	CN^-	cyanide anion	cn-
237	CN⁺	Cyano cation	cn+
238	CP	Carbon monophosphide	cp
239	CP^-	carbon monophosphide anion	cp-
240	CP⁺	carbon monophosphide cation	cp+
241	SiN	Silicon nitride	sin
242	SiN^-	silicon mononitride anion	sin-
243	SiN⁺	silicon mononitride cation	sin+
244	SiP^-	Silicon monophosphide anion	sip-
245	SiP⁺	Silicon monophosphide cation	sip+
246	TiN	Titanium mononitride	tin
247	N₂	Nitrogen diatomic	n2
248	PN	Phosphorus mononitride	pn
249	PN^-	phosphorus nitride anion	pn-
250	PN⁺	phosphorus nitride cation	pn+
251	P₂	Phosphorus diatomic	p2
252	P₂^-	phosphorus diatomic anion	p2-
253	P₂⁺	phosphorus diatomic cation	p2+
254	AsN	Arsenic mononitride	asn
255	AsP	Arsenic monophosphide	asp
256	SbN	Antimony nitride	sbn
257	As₂	Arsenic diatomic	as2
258	HNC	hydrogen isocyanide	hnc
259	HCN	Hydrogen cyanide	hcn
260	HCN^-	Hydrogen cyanide anion	hcn-
261	HCP	Phosphaethyne	hcp
262	NNH	Dinitrogen monohydride	nnh
263	NNH⁺	Dinitrogen monohydride cation	nnh+
264	HPO	Hydrogen phosphorus oxide	hpo
265	LiNH₂	lithium amide	linh2
266	HBNH	Boranimine	hbnh
267	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
268	HCNH⁺	N-protonated HCN	hcnh+
269	H₂NN	Isodiazene	h2nn
270	N₂H₂	(E)-diazene	n2h2
271	N₂H₂	(Z)-Diazene	n2h2z
272	CH₂NH	Methanimine	ch3n
273	CHNH₂	aminomethylene	chnh2
274	CH₂PH	Phosphaethene	ch3p
275	BH₂NH₂	Boranamine	bh2nh2
276	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
277	N₂H₄	Hydrazine	n2h4
278	P₂H₄	Diphosphine	p2h4
279	CH₃NH₂	methyl amine	ch3nh2
280	CH₃PH₂	Methyl phosphine	ch3ph2
281	SiH₃NH₂	Silane, amino	sih3nh2
282	N₂H₅⁺	protonated hydrazine	n2h5+
283	BH₃PH₃	borane phosphine	bh3ph3
284	BH₃NH₃	borane ammonia	bh3nh3
285	CH₃NH₃⁺	protonated methylamine	ch3nh3+
286	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
287	NH₃NH₃	Ammonia Dimer	nh3nh3
288	N₂H₇⁺	ammonia ammonium dimer	n2h7+
289	LiS	Lithium monosulfide	lis
290	LiS⁺	Lithium sulfide cation	lis+
291	NaO	sodium monoxide	nao
292	NaO^-	sodium oxide anion	nao-
293	NaO⁺	sodium oxide cation	nao+
294	KO	Potassium monoxide	ko
295	KO⁺	Potassium monoxide cation	ko+
296	NaS	Sodium sulfide	nas
297	CuO	Copper Monoxide	cuo
298	BeO	beryllium oxide	beo
299	BeS	beryllium sulfide	bes
300	MgO	magnesium oxide	mgo
301	MgO^-	magnesium oxide anion	mgo-
302	MgO⁺	magnesium oxide cation	mgo+
303	CaO	Calcium monoxide	cao
304	MgS	magnesium sulfide	mgs
305	MgS^-	magnesium sulfide anion	mgs-
306	MgS⁺	magnesium sulfide cation	mgs+
307	CaS	Calcium sulfide	cas
308	ZnO	zinc monoxide	zno
309	ZnS	Zinc sulfide	zns
310	BeS^-	Beryllium monosulfide anion	bes-
311	BeS⁺	Beryllium monosulfide cation	bes+
312	AlO	Aluminum monoxide	alo
313	AlO^-	Aluminum monoxide anion	alo-
314	AlO⁺	aluminum monoxide cation	alo+
315	BS	boron sulfide	bs
316	BS^-	boron monosulfide anion	bs-
317	BS⁺	boron monosulfide cation	bs+
318	AlS	Aluminum sulfide	als
319	AlS^-	aluminum monosulfide anion	als-
320	AlS⁺	aluminum monosulfide cation	als+
321	ScO	Scandium monoxide	sco
322	BO⁺	boron monoxide cation	bo+
323	CO	Carbon monoxide	co
324	CS	carbon monosulfide	cs
325	CS^-	carbon monosulfide anion	cs-
326	CS⁺	carbon monosulfide cation	cs+
327	SiO	Silicon monoxide	sio
328	SiO^-	silicon monoxide anion	sio-
329	SiO⁺	silicon monoxide cation	sio+
330	SiS	silicon monosulfide	sis
331	SiS^-	silicon monosulfide anion	sis-
332	SiS⁺	silicon monosulfide cation	sis+
333	TiO	Titanium monoxide	tio
334	CSe	Carbon monoselenide	cse
335	CSe^-	Carbon monoselenide anion	cse-
336	CSe⁺	Carbon monoselenide cation	cse+
337	GeO	Germanium monoxide	geo
338	GeO⁺	Germanium monoxide cation	geo+
339	GeS	Germanium monosulfide	ges
340	SiSe	Silicon Monoselenide	sise
341	GeSe	Germanium monoselenide	gese
342	NO⁺	nitric oxide cation	no+
343	NS	Mononitrogen monosulfide	ns
344	NS^-	nitrogen sulfide anion	ns-
345	NS⁺	nitrogen sulfide cation	ns+
346	PO^-	phosphorus monoxide anion	po-
347	PO⁺	phosphorus monoxide cation	po+
348	PS^-	phosphorus monosulfide anion	ps-
349	PS⁺	phosphorus monosulfide cation	ps+
350	VO	Vanadium monoxide	vo
351	NSe	Nitrogen monoselenide	nse
352	AsS	Arsenic monosulfide	ass
353	PSe	Phosphorus monoselenide	pse
354	AsSe	Arsenic monoselenide	asse
355	O₂^--	dioxygen dianion	o2--
356	SO^-	sulfur monoxide anion	so-
357	S₂^-	sulfur diatomic anion	s2-
358	S₂⁺	sulfur diatomic cation	s2+
359	SeO^-	selenium monoxide anion	seo-
360	SeO⁺	selenium monoxide cation	seo+
361	SeS	Selenium monosulfide	ses
362	SeS^-	selenium monosulfide anion	ses-
363	SeS⁺	selenium monosulfide cation	ses+
364	Se₂^-	selenium diatomic anion	se2-
365	Se₂⁺	selenium diatomic cation	se2+
366	LiOH	lithium hydroxide	lioh
367	NaOH	sodium hydroxide	naoh
368	KOH	Potassium hydroxide	koh
369	MgOH	magnesium hydroxide	mgoh
370	CaOH	Calcium monohydroxide	caoh
371	HBO	Boron hydride oxide	hbo
372	HBS	hydrogen boron sulfide	hbs
373	COH⁺	Carbon Monoxide, protonated	coh+
374	HCS	Thioformyl radical	hcs
375	HCS^-	Thioformyl anion	hcs-
376	HNS	Sulfur imide	hns
377	HNS^-	Sulfur imide anion	hns-
378	HSO⁺	Sulfur Monoxide, S-protonated	HSO+
379	HS₂	Thiosulfeno radical	hs2
380	H₂CO	Formaldehyde	h2co
381	HOCH	hydroxycarbene	hoch
382	H₂CS	Thioformaldehyde	h2cs
383	H₂CS⁺	thioformaldehyde cation	h2cs+
384	H₂CSe	Selenoformaldehyde	h2cse
385	H₂O₂	Hydrogen peroxide	h2o2
386	H₂OO	water oxide	h2oo
387	HOSH	hydrogen thioperoxide	hosh
388	H₂S₂	Disulfane	h2s2
389	H₂S₂⁺	hydrogen disulfide cation	h2s2+
390	H₂Se₂	hydrogen diselenide	h2se2
391	CH₂OH⁺	hydroxymethyl cation	ch2oh+
392	CH₃O	Methoxy radical	ch3o
393	CH₃O^-	methoxy anion	ch3o-
394	CH₃S	thiomethoxy	ch3s
395	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
396	NH₂OH	hydroxylamine	nh2oh
397	NH₃O	Ammonia Oxide	nh3o
398	H₂POH	Phosphinous acid	h2poh
399	H₃PO	Phosphine oxide	h3po
400	NH₂SH	Thiohydroxylamine	nh2sh
401	NH₃S	sulfidoazane	nh3s
402	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
403	CH₃OH	Methyl alcohol	ch3oh
404	CH₃SH	Methanethiol	ch3sh
405	CH₃SH⁺	Methanethiol cation	ch3sh+
406	SiH₃OH	silanol	sih3oh
407	CH₃SeH	Methane selenol	ch3seh
408	H₂OH₂O	water dimer	h2oh2o
409	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
410	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
411	H₂ONH₃	Water Ammonia Dimer	h2onh3
412	H₅O₂⁺	Dihydroxonium ion	h5o2+
413	LiF	lithium fluoride	lif
414	LiCl	lithium chloride	licl
415	LiCl^-	lithium chloride anion	licl-
416	LiCl⁺	lithium chloride cation	licl+
417	NaF	sodium fluoride	naf
418	NaF^-	sodium fluoride anion	naf-
419	KF	Potassium Fluoride	kf
420	NaCl	Sodium Chloride	nacl
421	NaCl^-	sodium chloride anion	nacl-
422	NaCl⁺	sodium chloride cation	nacl+
423	KCl	Potassium Chloride	kcl
424	CuF	Copper monofluoride	cuf
425	LiBr	Lithium Bromide	libr
426	LiBr^-	lithium bromide anion	libr-
427	LiBr⁺	lithium bromide cation	libr+
428	CuCl	Copper monochloride	cucl
429	NaBr	Sodium Bromide	nabr
430	NaBr^-	sodium bromide anion	nabr-
431	NaBr⁺	sodium bromide cation	nabr+
432	KBr	Potassium Bromide	kbr
433	LiI	Lithium Iodide	lii
434	NaI	Sodium Iodide	nai
435	KI	Potassium Iodide	ki
436	BeF	Beryllium monofluoride	bef
437	BeCl	beryllium monochloride	becl
438	MgF	Magnesium monofluoride	mgf
439	MgF^-	magnesium fluoride anion	mgf-
440	MgF⁺	magnesium fluoride cation	mgf+
441	CaF	Calcium monofluoride	caf
442	MgCl	magnesium monochloride	mgcl
443	MgCl^-	magnesium monochloride anion	mgcl-
444	MgCl⁺	magnesium monochloride cation	mgcl+
445	CaCl	calcium monochloride	cacl
446	TiCl	Titanium Monochloride	ticl
447	ZnF	Zinc monofluoride	znf
448	ZnF^-	Zinc monofluoride anion	znf-
449	ZnF⁺	Zinc monofluoride cation	znf+
450	ZnCl	Zinc monochloride	zncl
451	BeCl^-	beryllium monochloride anion	becl-
452	BeCl⁺	beryllium monochloride cation	becl+
453	BF	Boron monofluoride	bf
454	BF^-	Boron monofluoride anion	bf-
455	BF⁺	Boron monofluoride cation	bf+
456	AlF	Aluminum monofluoride	alf
457	AlF^-	Aluminum monofluoride anion	alf-
458	AlF⁺	Aluminum monofluoride cation	alf+
459	BCl	boron monochloride	bcl
460	BCl^-	boron monochloride anion	bcl-
461	BCl⁺	boron monochloride cation	bcl+
462	AlCl	Aluminum monochloride	alcl
463	AlCl^-	aluminum monochloride anion	alcl-
464	AlCl⁺	aluminum monochloride cation	alcl+
465	ScF	Scandium monofluoride	scf
466	BBr	Boron monobromide	bbr
467	GaF⁺	Gallium monofluoride cation	gaf+
468	AlBr	Aluminum monobromide	albr
469	GaCl⁺	Gallium monochloride cation	gacl+
470	AlI	Aluminum monoiodide	ali
471	GaBr	Gallium monobromide	gabr
472	CF^-	carbon monofluoride anion	cf-
473	CF⁺	carbon monofluoride cation	cf+
474	CCl	carbon monochloride	ccl
475	CCl^-	carbon monochloride anion	ccl-
476	CCl⁺	carbon monochloride cation	ccl+
477	SiF	silicon monofluoride	sif
478	SiF^-	silicon monofluoride anion	sif-
479	SiF⁺	silicon monofluoride cation	sif+
480	SiCl^-	silicon monochloride anion	sicl-
481	SiCl⁺	silicon monochloride cation	sicl+
482	GeF⁺	Germanium monofluoride cation	gef+
483	GeCl⁺	Germanium monochloride cation	gecl+
484	NF	nitrogen fluoride	nf
485	NF^-	nitrogen monofluorine anion	nf-
486	NF⁺	nitrogen monofluoirde cation	nf+
487	NCl⁺	nitrogen monochloride cation	ncl+
488	PF	phosphorus monofluoride	pf
489	PF^-	phosphorus monofluoride anion	pf-
490	PF⁺	phosphorus monofluoride cation	pf+
491	PCl	phosphorus chloride	pcl
492	PCl^-	phosphorus monochloride anion	pcl-
493	PCl⁺	phosphorus monochloride cation	pcl+
494	AsF	Arsenic monofluoride	asf
495	NBr	nitrogen monobromide	nbr
496	AsCl	Arsenic monochloride	ascl
497	SbF	Antimony monofluoride	sbf
498	SbCl	Antimony monochloride	sbcl
499	FO^-	flourine oxide anion	fo-
500	FO⁺	fluorine monoxide cation	fo+

count

Species

Name

file name

problem

Deuterium atom

D^-

Deuterium atom anion

D⁺

Deuterium atom cation

H⁺

Hydrogen atom cation

D₂

Deuterium diatomic

H₂

Hydrogen diatomic

Deuterium hydride

H₃⁺

hydrogen trimer cation

h3+

Helium atom

HeH

Helium hydride

heh

Li^-

Lithium atom anion

li-

Sodium atom

Na⁺

Sodium atom cation

na+

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-

Magnesium atom

Calcium atom

Zinc atom

Zn^-

Zinc atom anion

zn-

Zn⁺

Zinc atom cation

zn+

BeH^-

berylium monohydride anion

beh-

BeH⁺

beryllium monohydride cation

beh+

MgH^-

magnesium monohydride anion

mgh-

MgH⁺

magnesium monohydride cation

mgh+

CaH⁺

Calcium monohydride cation

cah+

TiH

Titanium monohydride

tih

ZnH

Zinc monohydride

znh

ZnH⁺

Zinc, protonated

znh+

BeH₂

beryllium dihydride

beh2

MgH₂

magnesium dihydride

mgh2

CaH₂

Calcium Hydride

cah2

ZnH₂

Zinc hydride

znh2

B^-

Boron atom anion

Aluminum atom

Scandium atom

Sc⁺

Scandium cation

sc+

Boron monohydride

BH^-

boron monohydride anion

bh-

BH⁺

boron monohydride cation

bh+

AlH

aluminum monohydride

alh

AlH^-

aluminum monohydride anion

alh-

AlH⁺

aluminum monohydride cation

alh+

ScH

Scandium monohydride

sch

ScH⁺

Scandium monohydride cation

sch+

GaH

Gallium monohydride

gah

BH₂

boron dihydride

bh2

BH₂⁺

Boron dihydride cation

bh2+

AlH₂

aluminum dihydride

alh2

BH₃

boron trihydride

bh3

BH₃^-

boron trihydride anion

bh3-

AlH₃

aluminum trihydride

alh3

ScH₃

Scandium trihydride

sch3

GaH₃

Gallium trihydride

gah3

AlH₄^-

Aluminum tetrahydride anion

alh4-

C^-

Carbon atom anion

Silicon atom

Titanium atom

Ti^-

Titanium atom anion

ti-

Ti⁺

Titanium atom cation

ti+

Ge⁺

Germanium cation

ge+

CH^-

methylidyne anion

ch-

CH⁺

Methylidyne cation

ch+

SiH^-

silicon monohydride anion

sih-

SiH⁺

silicon monohydride cation

sih+

GeH⁺

Germaniun monohyrdide cation

geh+

SiH₂

silicon dihydride

sih2

SiH₂^-

silicon dihydride anion

sih2-

SiH₂⁺

silicon dihydride cation

sih2+

GeH₂

germylene

geh2

GeH₂^-

germylene anion

geh2-

CH₃^-

methyl anion

ch3-

CH₃⁺

methyl cation

ch3+

SiH₃^-

Silyl anion

sih3-

CD₄

methane-d4

cd4

CH₂D₂

methane-d2

ch2d2

CH₃D

methane-d

ch3d

CH₄

Methane

ch4

CH₄^-

Methane anion

ch4-

CH₄⁺

Methane cation

ch4+

CHD₃

methane-d3

chd3

SiH₂D₂

silane-d2

sih2d2

SiH₄

Silane

sih4

GeH₄

Germane

geh4

SnH₄

Stannane

snh4

SiH₅⁺

Silane, protonated

sih5+

V⁺

Vanadium atom cation

Imidogen

NH^-

Imidogen anion

nh-

NH⁺

imidogen cation

nh+

100

PH^-

phosphorus monohydride anion

ph-

101

PH⁺

phosphorus monohydride cation

ph+

102

AsH⁺

Arsenic monohydride cation

ash+

103

ND₂

Amidogen-d2

nd2

104

NH₂^-

amino anion

nh2-

105

PH₂

Phosphino radical

ph2

106

AsH₂⁺

Arsenic dihydride cation

ash2+

107

ND₃

Ammonia-d3

nd3

108

NH₃

Ammonia

nh3

109

PH₃

Phosphine

ph3

110

AsH₃

Arsine

ash3

111

SbH₃

Stibine

sbh3

112

AsH₄⁺

Arsonium

ash4+

113

NH₄⁺

ammonium cation

nh4+

114

PH₄⁺

phosphonium cation

ph4+

115

S^-

Sulfur atom anion

116

Chromium atom

117

Hydroxyl-d

118

Mercapto-d

119

Mercapto radical

120

HS^-

mercapto anion

sh-

121

HS⁺

sulfur monohydride cation

sh+

122

CrH⁺

Chromium hydride cation

crh+

123

HSe^-

selenium monohydride anion

hse-

124

D₂O

Deuterium oxide

d2o

125

H₂O

Water

h2o

126

HDO

Water-d1

hdo

127

D₂S

Hydrogen sulfide-d2

d2s

128

H₂S

Hydrogen sulfide

h2s

129

H₂S⁺

Hydrogen sulfide cation

h2s+

130

H₂Te

Hydrogen Telluride

h2te

131

H₃O⁺

hydronium cation

h3o+

132

H₃Se⁺

Hydrogen Selenide, protonated

h3se+

133

Cl^-

Chlorine atom anion

cl-

134

Manganese atom

135

Iodine atom

iodine

136

Hydrofluoric acid-d

137

Hydrogen fluoride

138

DCl

Hydrochloric acid-d

dcl

139

HCl

Hydrogen chloride

hcl

140

HBr

hydrogen bromide

hbr

141

Hydrogen iodide

142

HI⁺

Hydrogen iodide cation

hi+

143

H₂F⁺

dihydrogen fluoride cation

h2f+

144

H₂Cl⁺

dihydrogen monochloride cation

h2cl+

145

H₂Br⁺

protonated hydrogen bromide

h2br+

146

H₂I⁺

Iodonium

h2i+

147

Neon atom

148

Argon atom

149

Iron atom

150

Krypton atom

151

Kr⁺

Krypton cation

kr+

152

Xenon atom

153

HeLi⁺

Helium Lithium cation

heli+

154

NeH⁺

neon hydrogen cation

neh+

155

KrH⁺

Protonated Krypton

krh+

156

XeH⁺

Xenon, protonated

xeh+

157

H₂Ar

H2 Ar dimer

h2ar

158

Cobalt atom

cobalt

159

Nickel atom

160

Li₂

Lithium diatomic

li2

161

Li₂^-

lithium diatomic anion

li2-

162

NaLi

lithium sodium

lina

163

NaLi^-

lithium sodium anion

lina-

164

NaLi⁺

lithium sodium cation

lina+

165

LiK

Lithium Potassium

lik

166

Na₂

Sodium diatomic

na2

167

Na₂⁺

sodium diatomic cation

na2+

168

NaK

Sodium Potassium

nak

169

NaK⁺

Sodium Potassium diatomic cation

nak+

170

K₂

Potassium diatomic

171

Cu₂

Copper diatomic

cu2

172

LiMg

Lithium magnesium

limg

173

NaBe

Sodium Beryllium

nabe

174

NaMg

Sodium Magnesium

namg

175

Be₂

Beryllium diatomic

be2

176

Be₂⁺

Beryllium diatomic cation

be2+

177

BeMg

Beryllium Magnesium

bemg

178

Mg₂

Magnesium diatomic

mg2

179

Mg₂^-

magnesium diatomic anion

mg2-

180

Mg₂⁺

magnesium diatomic cation

mg2+

181

Ca₂

Calcium diatomic

ca2

182

LiAl

Lithium Aluminum

lial

183

NaAl

Sodium aluminum

naal

184

B₂^-

Boron diatomic anion

b2-

185

BAl

Boron Aluminum

bal

186

Al₂

Aluminum diatomic

al2

187

Al₂^-

aluminum diatomic anion

al2-

188

Al₂⁺

aluminum diatomic cation

al2+

189

BGa

Boron Gallium

bga

190

Ga₂

Gallium diatomic

ga2

191

LiBH₄

Lithium borohydride

libh4

192

B₂H₄

Diborane(4) D2d

b2h4

193

HBHHBH

Diborane(4) C2V

hbhhbh

194

B₂H₆

Diborane

b2h6

195

Al₂H₆

dialane

al2h6

196

Ga₂H₆

digallane

ga2h6

197

BC⁺

boron monocarbide cation

bc+

198

AlC

Aluminum carbide

alc

199

BSi

Boron silicide

bsi

200

C₂

Carbon diatomic

201

C₂^-

carbon diatomic anion

c2-

202

SiC^-

silicon monocarbide anion

sic-

203

Si₂

Silicon diatomic

si2

204

Si₂^-

silcon diatomic anion

si2-

205

Si₂⁺

silcon diatomic cation

si2+

206

Ge₂

Germanium diatomic

ge2

207

C₂H^-

Ethynyl anion

c2h-

208

C₂H⁺

Ethynyl cation

c2h+

209

ZnCH₂

Zinc methylene

znch2

210

C₂H₂

Acetylene

c2h2

211

CCH₂

vinylidene

212

Si₂H₂

disilyne

si2h2

213

CH₃Li

methyl lithium

ch3li

214

CuCH₃

monomethyl copper

cuch3

215

ZnCH₃

Zinc monomethyl

znch3

216

CH₂BH

methyleneborane

ch2bh

217

C₂H₃^-

vinyl anion

c2h3-

218

C₂H₄

Ethylene

c2h4

219

Si₂H₄

Disilene

si2h4

220

CH₃BH₂

methylborane

ch3bh2

221

C₂H₅^-

Ethyl anion

c2h5-

222

C₂H₅⁺

Ethyl cation

c2h5+

223

C₂H₆

Ethane

c2h6

224

CH₃SiH₃

methyl silane

ch3sih3

225

Si₂H₆

disilane

si2h6

226

GeH₃CH₃

methyl germane

geh3ch3

227

C₂H₇⁺

Ethane, protonated

c2h7+

228

BeN⁺

Beryllium mononitride cation

ben+

229

BN^-

boron nitride anion

bn-

230

AlN^-

aluminum mononitride anion

aln-

231

AlN⁺

aluminum mononitride cation

aln+

232

Boron monophosphide

233

GaP

Gallium monophosphide

gap

234

BN⁺

boron nitride cation

bn+

235

AlN

Aluminum nitride

aln

236

CN^-

cyanide anion

cn-

237

CN⁺

Cyano cation

cn+

238

Carbon monophosphide

239

CP^-

carbon monophosphide anion

cp-

240

CP⁺

carbon monophosphide cation

cp+

241

SiN

Silicon nitride

sin

242

SiN^-

silicon mononitride anion

sin-

243

SiN⁺

silicon mononitride cation

sin+

244

SiP^-

Silicon monophosphide anion

sip-

245

SiP⁺

Silicon monophosphide cation

sip+

246

TiN

Titanium mononitride

tin

247

N₂

Nitrogen diatomic

248

Phosphorus mononitride

249

PN^-

phosphorus nitride anion

pn-

250

PN⁺

phosphorus nitride cation

pn+

251

P₂

Phosphorus diatomic

252

P₂^-

phosphorus diatomic anion

p2-

253

P₂⁺

phosphorus diatomic cation

p2+

254

AsN

Arsenic mononitride

asn

255

AsP

Arsenic monophosphide

asp

256

SbN

Antimony nitride

sbn

257

As₂

Arsenic diatomic

as2

258

HNC

hydrogen isocyanide

hnc

259

HCN

Hydrogen cyanide

hcn

260

HCN^-

Hydrogen cyanide anion

hcn-

261

HCP

Phosphaethyne

hcp

262

NNH

Dinitrogen monohydride

nnh

263

NNH⁺

Dinitrogen monohydride cation

nnh+

264

HPO

Hydrogen phosphorus oxide

hpo

265

LiNH₂

lithium amide

linh2

266

HBNH

Boranimine

hbnh

267

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

268

HCNH⁺

N-protonated HCN

hcnh+

269

H₂NN

Isodiazene

h2nn

270

N₂H₂

(E)-diazene

n2h2

271

N₂H₂

(Z)-Diazene

n2h2z

272

CH₂NH

Methanimine

ch3n

273

CHNH₂

aminomethylene

chnh2

274

CH₂PH

Phosphaethene

ch3p

275

BH₂NH₂

Boranamine

bh2nh2

276

CH₂NH₂⁺

methyleneamine cation

ch2nh2+

277

N₂H₄

Hydrazine

n2h4

278

P₂H₄

Diphosphine

p2h4

279

CH₃NH₂

methyl amine

ch3nh2

280

CH₃PH₂

Methyl phosphine

ch3ph2

281

SiH₃NH₂

Silane, amino

sih3nh2

282

N₂H₅⁺

protonated hydrazine

n2h5+

283

BH₃PH₃

borane phosphine

bh3ph3

284

BH₃NH₃

borane ammonia

bh3nh3

285

CH₃NH₃⁺

protonated methylamine

ch3nh3+

286

CH₃PH₃⁺

methyl phosphine, protonated

ch3ph3+

287

NH₃NH₃

Ammonia Dimer

nh3nh3

288

N₂H₇⁺

ammonia ammonium dimer

n2h7+

289

LiS

Lithium monosulfide

lis

290

LiS⁺

Lithium sulfide cation

lis+

291

NaO

sodium monoxide

nao

292

NaO^-

sodium oxide anion

nao-

293

NaO⁺

sodium oxide cation

nao+

294

Potassium monoxide

295

KO⁺

Potassium monoxide cation

ko+

296

NaS

Sodium sulfide

nas

297

CuO

Copper Monoxide

cuo

298

BeO

beryllium oxide

beo

299

BeS

beryllium sulfide

bes

300

MgO

magnesium oxide

mgo

301

MgO^-

magnesium oxide anion

mgo-

302

MgO⁺

magnesium oxide cation

mgo+

303

CaO

Calcium monoxide

cao

304

MgS

magnesium sulfide

mgs

305

MgS^-

magnesium sulfide anion

mgs-

306

MgS⁺

magnesium sulfide cation

mgs+

307

CaS

Calcium sulfide

cas

308

ZnO

zinc monoxide

zno

309

ZnS

Zinc sulfide

zns

310

BeS^-

Beryllium monosulfide anion

bes-

311

BeS⁺

Beryllium monosulfide cation

bes+

312

AlO

Aluminum monoxide

alo

313

AlO^-

Aluminum monoxide anion

alo-

314

AlO⁺

aluminum monoxide cation

alo+

315

boron sulfide

316

BS^-

boron monosulfide anion

bs-

317

BS⁺

boron monosulfide cation

bs+

318

AlS

Aluminum sulfide

als

319

AlS^-

aluminum monosulfide anion

als-

320

AlS⁺

aluminum monosulfide cation

als+

321

ScO

Scandium monoxide

sco

322

BO⁺

boron monoxide cation

bo+

323

Carbon monoxide

324

carbon monosulfide

325

CS^-

carbon monosulfide anion

cs-

326

CS⁺

carbon monosulfide cation

cs+

327

SiO

Silicon monoxide

sio

328

SiO^-

silicon monoxide anion

sio-

329

SiO⁺

silicon monoxide cation

sio+

330

SiS

silicon monosulfide

sis

331

SiS^-

silicon monosulfide anion

sis-

332

SiS⁺

silicon monosulfide cation

sis+

333

TiO

Titanium monoxide

tio

334

CSe

Carbon monoselenide

cse

335

CSe^-

Carbon monoselenide anion

cse-

336

CSe⁺

Carbon monoselenide cation

cse+

337

GeO

Germanium monoxide

geo

338

GeO⁺

Germanium monoxide cation

geo+

339

GeS

Germanium monosulfide

ges

340

SiSe

Silicon Monoselenide

sise

341

GeSe

Germanium monoselenide

gese

342

NO⁺

nitric oxide cation

no+

343

Mononitrogen monosulfide

344

NS^-

nitrogen sulfide anion

ns-

345

NS⁺

nitrogen sulfide cation

ns+

346

PO^-

phosphorus monoxide anion

po-

347

PO⁺

phosphorus monoxide cation

po+

348

PS^-

phosphorus monosulfide anion

ps-

349

PS⁺

phosphorus monosulfide cation

ps+

350

Vanadium monoxide

351

NSe

Nitrogen monoselenide

nse

352

AsS

Arsenic monosulfide

ass

353

PSe

Phosphorus monoselenide

pse

354

AsSe

Arsenic monoselenide

asse

355

O₂^--

dioxygen dianion

o2--

356

SO^-

sulfur monoxide anion

so-

357

S₂^-

sulfur diatomic anion

s2-

358

S₂⁺

sulfur diatomic cation

s2+

359

SeO^-

selenium monoxide anion

seo-

360

SeO⁺

selenium monoxide cation

seo+

361

SeS

Selenium monosulfide

ses

362

SeS^-

selenium monosulfide anion

ses-

363

SeS⁺

selenium monosulfide cation

ses+

364

Se₂^-

selenium diatomic anion

se2-

365

Se₂⁺

selenium diatomic cation

se2+

366

LiOH

lithium hydroxide

lioh

367

NaOH

sodium hydroxide

naoh

368

KOH

Potassium hydroxide

koh

369

MgOH

magnesium hydroxide

mgoh

370

CaOH

Calcium monohydroxide

caoh

371

HBO

Boron hydride oxide

hbo

372

HBS

hydrogen boron sulfide

hbs

373

COH⁺

Carbon Monoxide, protonated

coh+

374

HCS

Thioformyl radical

hcs

375

HCS^-

Thioformyl anion

hcs-

376

HNS

Sulfur imide

hns

377

HNS^-

Sulfur imide anion

hns-

378

HSO⁺

Sulfur Monoxide, S-protonated

HSO+

379

HS₂

Thiosulfeno radical

hs2

380

H₂CO

Formaldehyde

h2co

381

HOCH

hydroxycarbene

hoch

382

H₂CS

Thioformaldehyde

h2cs

383

H₂CS⁺

thioformaldehyde cation

h2cs+

384

H₂CSe

Selenoformaldehyde

h2cse

385

H₂O₂

Hydrogen peroxide

h2o2

386

H₂OO

water oxide

h2oo

387

HOSH

hydrogen thioperoxide

hosh

388

H₂S₂

Disulfane

h2s2

389

H₂S₂⁺

hydrogen disulfide cation

h2s2+

390

H₂Se₂

hydrogen diselenide

h2se2

391

CH₂OH⁺

hydroxymethyl cation

ch2oh+

392

CH₃O

Methoxy radical

ch3o

393

CH₃O^-

methoxy anion

ch3o-

394

CH₃S

thiomethoxy

ch3s

395

H₂CSH⁺

Thioformaldehyde, protonated

h2csh+

396

NH₂OH

hydroxylamine

nh2oh

397

NH₃O

Ammonia Oxide

nh3o

398

H₂POH

Phosphinous acid

h2poh

399

H₃PO

Phosphine oxide

h3po

400

NH₂SH

Thiohydroxylamine

nh2sh

401

NH₃S

sulfidoazane

nh3s

402

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

403

CH₃OH

Methyl alcohol

ch3oh

404

CH₃SH

Methanethiol

ch3sh

405

CH₃SH⁺

Methanethiol cation

ch3sh+

406

SiH₃OH

silanol

sih3oh

407

CH₃SeH

Methane selenol

ch3seh

408

H₂OH₂O

water dimer

h2oh2o

409

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

410

CH₃SH₂⁺

protonated methylsulfide

ch3sh2+

411

H₂ONH₃

Water Ammonia Dimer

h2onh3

412

H₅O₂⁺

Dihydroxonium ion

h5o2+

413

LiF

lithium fluoride

lif

414

LiCl

lithium chloride

licl

415

LiCl^-

lithium chloride anion

licl-

416

LiCl⁺

lithium chloride cation

licl+

417

NaF

sodium fluoride

naf

418

NaF^-

sodium fluoride anion

naf-

419

Potassium Fluoride

420

NaCl

Sodium Chloride

nacl

421

NaCl^-

sodium chloride anion

nacl-

422

NaCl⁺

sodium chloride cation

nacl+

423

KCl

Potassium Chloride

kcl

424

CuF

Copper monofluoride

cuf

425

LiBr

Lithium Bromide

libr

426

LiBr^-

lithium bromide anion

libr-

427

LiBr⁺

lithium bromide cation

libr+

428

CuCl

Copper monochloride

cucl

429

NaBr

Sodium Bromide

nabr

430

NaBr^-

sodium bromide anion

nabr-

431

NaBr⁺

sodium bromide cation

nabr+

432

KBr

Potassium Bromide

kbr

433

LiI

Lithium Iodide

lii

434

NaI

Sodium Iodide

nai

435

Potassium Iodide

436

BeF

Beryllium monofluoride

bef

437

BeCl

beryllium monochloride

becl

438

MgF

Magnesium monofluoride

mgf

439

MgF^-

magnesium fluoride anion

mgf-

440

MgF⁺

magnesium fluoride cation

mgf+

441

CaF

Calcium monofluoride

caf

442

MgCl

magnesium monochloride

mgcl

443

MgCl^-

magnesium monochloride anion

mgcl-

444

MgCl⁺

magnesium monochloride cation

mgcl+

445

CaCl

calcium monochloride

cacl

446

TiCl

Titanium Monochloride

ticl

447

ZnF

Zinc monofluoride

znf

448

ZnF^-

Zinc monofluoride anion

znf-

449

ZnF⁺

Zinc monofluoride cation

znf+

450

ZnCl

Zinc monochloride

zncl

451

BeCl^-

beryllium monochloride anion

becl-

452

BeCl⁺

beryllium monochloride cation

becl+

453

Boron monofluoride

454

BF^-

Boron monofluoride anion

bf-

455

BF⁺

Boron monofluoride cation

bf+

456

AlF

Aluminum monofluoride

alf

457

AlF^-

Aluminum monofluoride anion

alf-

458

AlF⁺

Aluminum monofluoride cation

alf+

459

BCl

boron monochloride

bcl

460

BCl^-

boron monochloride anion

bcl-

461

BCl⁺

boron monochloride cation

bcl+

462

AlCl

Aluminum monochloride

alcl

463

AlCl^-

aluminum monochloride anion

alcl-

464

AlCl⁺

aluminum monochloride cation

alcl+

465

ScF

Scandium monofluoride

scf

466

BBr

Boron monobromide

bbr

467

GaF⁺

Gallium monofluoride cation

gaf+

468

AlBr

Aluminum monobromide

albr

469

GaCl⁺

Gallium monochloride cation

gacl+

470

AlI

Aluminum monoiodide

ali

471

GaBr

Gallium monobromide

gabr

472

CF^-

carbon monofluoride anion

cf-

473

CF⁺

carbon monofluoride cation

cf+

474

CCl

carbon monochloride

ccl

475

CCl^-

carbon monochloride anion

ccl-

476

CCl⁺

carbon monochloride cation

ccl+

477

SiF

silicon monofluoride

sif

478

SiF^-

silicon monofluoride anion

sif-

479

SiF⁺

silicon monofluoride cation

sif+

480

SiCl^-

silicon monochloride anion

sicl-

481

SiCl⁺

silicon monochloride cation

sicl+

482

GeF⁺

Germanium monofluoride cation

gef+

483

GeCl⁺

Germanium monochloride cation

gecl+

484

nitrogen fluoride

485

NF^-

nitrogen monofluorine anion

nf-

486

NF⁺

nitrogen monofluoirde cation

nf+

487

NCl⁺

nitrogen monochloride cation

ncl+

488

phosphorus monofluoride

489

PF^-

phosphorus monofluoride anion

pf-

490

PF⁺

phosphorus monofluoride cation

pf+

491

PCl

phosphorus chloride

pcl

492

PCl^-

phosphorus monochloride anion

pcl-

493

PCl⁺

phosphorus monochloride cation

pcl+

494

AsF

Arsenic monofluoride

asf

495

NBr

nitrogen monobromide

nbr

496

AsCl

Arsenic monochloride

ascl

497

SbF

Antimony monofluoride

sbf

498

SbCl

Antimony monochloride

sbcl

499

FO^-

flourine oxide anion

fo-

500

FO⁺

fluorine monoxide cation

fo+

501

ClO^-

chlorine monoxide anion

clo-

502

SF^-

sulfur monofluoride anion

sf-

503

SCl^-

sulfur monochloride anion

scl-

504

BrO^-

Bromine monoxide anion

bro-

505

SeF

Selenium monofluoride

sef

506

SeCl

Selenium monochloride

secl

507

BrCl

Bromine monochloride

brcl

508

F₂

Fluorine diatomic

509

ClF

Chlorine monofluoride

clf

510

ClF^-

clorine monofluoride anion

clf-

511

Cl₂

Chlorine diatomic

cl2

512

Cl₂^-

chlorine diatomic anion

cl2-

513

BrF

Bromine monofluoride

brf

514

BrF^-

bromine fluoride anion

brf-

515

BrF⁺

bromine fluoride cation

brf+

516

BrCl^-

bromine chloride anion

brcl-

517

BrCl⁺

bromine chloride cation

brcl+

518

Iodine monofluoride

519

Br₂

Bromine diatomic

br2

520

ICl

Iodine monochloride

icl

521

IBr

Iodine monobromide

ibr

522

I₂

Iodine diatomic

523

HCF

Fluoromethylene

hcf

524

HCCl

Chloromethylene

hccl

525

HSiF

fluorosilylene

hsif

526

HSiCl

Chlorosilylene

hsicl

527

HSiBr

monobromosilylene

hsibr

528

CHBr

bromomethylene

chbr

529

HOF

Hypofluorous acid

hfo

530

DOCl

Hypochlorous acid-d

docl

531

HOCl

hypochlorous acid

hocl

532

HOBr

Hypobromous acid

hobr

533

HOI

Hypoiodous acid

hoi

534

F₂H⁺

Fluorine, protonated

f2h+

535

FHF

Hydrogen difluoride

fhf

536

FHF^-

Hydrogen difluoride anion

fhf-

537

ClFH⁺

Chlorine fluoride, F-protonated

clfh+

538

FClH⁺

Chlorine fluoride, Cl-protonated

fclh+

539

Cl₂H⁺

Chlorine, protonated

cl2h+

540

CH₂F⁺

fluoromethyl cation

ch2f+

541

CH₂Cl⁺

chloromethyl cation

ch2cl+

542

NH₂F

monofluoroamine

nh2f

543

NH₂Cl

chloramine

nh2cl

544

H₂F₂

Hydrogen fluoride dimer

h2f2

545

CD₃F

methylfluoride-d3

cd3f

546

CH₃F

Methyl fluoride

ch3f

547

CD₃Cl

methyl chloride d3

cd3cl

548

CH₃Cl

Methyl chloride

ch3cl

549

SiH₃F

monofluorosilane

sih3f

550

SiH₃Cl

chlorosilane

sih3cl

551

GeH₃F

monofluorogermane

geh3f

552

GeH₃Cl

monochlorogermane

geh3cl

553

SiH₃Br

bromosilane

sih3br

554

CH₃I

methyl iodide

ch3i

555

SiH₃I

Silyl Iodide

sih3i

556

NH₃Cl⁺

protonated monochloroammonia

nh3cl+

557

CH₃ClH⁺

methyl chloride, protonated

ch3clh+

558

NH₄Cl

Ammonium chloride

nh4cl

559

LiNe⁺

Lithium Neon cation

line+

560

Ne₂

Neon diatomic

ne2

561

Ar₂

Argon diatomic

ar2

562

Ar₂⁺

Argon diatomic cation

ar2+

563

Li₃⁺

Lithium trimer cation

li3+

564

C₃⁺

carbon trimer cation

c3+

565

SiC₂

Silicon dicarbide

sic2

566

C₃H₃

Propargyl radical

propargyl

567

C₃H₄

cyclopropene

cprop

568

CH₂CCH₂

allene

569

CH₃CCH

propyne

570

C₃H₅⁺

Allyl cation

allyl+

571

Zn(CH₃)₂

dimethyl zinc

dmz

572

C₃H₆

Cyclopropane

c3h6

573

CH₂CHCH₃

Propene

propene

574

C₃H₇⁺

cyclopropane, protonated

c3h7+

575

CH₃CHCH₃⁺

Isopropyl cation

prop2yl+

576

C₃H₈

Propane

propane

577

SiH₂(CH₃)₂

dimethylsilane

dms

578

Si₃H₈

trisilane

si3h8

579

NaCN

Sodium Cyanide

nacn

580

KCN

Potassium cyanide

kcn

581

CuCN

Copper cyanide

cucn

582

AlCN

Aluminum monocyanide

alcn

583

AlNC

Aluminum isocyanide

alnc

584

CN₂

3H-Diazirin-3-ylidene

cn2

585

N₃^-

azide anion

n3-

586

HCNN

diazomethyl radical

hcnn

587

HNCNH

diiminomethane

hncnh

588

CH₂N₂

diazirine

ch2n2

589

CH₂NN

diazomethane

ch2nn

590

NH₂CN

cyanamide

591

HNNNH⁺

1,2-Triazadienium

n2h3+

592

NH₂NN⁺

hydrazoic acid, protonated

nh2nn+

593

CH₃CN

Acetonitrile

ch3cn

594

CH₃NC

methyl isocyanide

ch3nc

595

CHNCH₂

2H-Azirine

c157164

596

CHNHCH

1H-Azirine

chnhch

597

H₂CCNH

Ethenimine

ch2cnh

598

H₂CNCH

methyleneaminomethylene

ch2nch

599

HCCNH₂

Ethynamine

hccnh2

600

HNCNH₂⁺

diiminomethane, protonated

hncnh2+

601

NCNH₃⁺

Cyanamide, protonated

ncnh3+

602

NH₂CNH⁺

cyanamide, cn protonated

nh2cnh+

603

NH₃CN⁺

cyanamide, amine protonated

nh3cn+

604

NHCHNH₂

aminomethanimine

cn2h4

605

C₂H₅N

Aziridine

c2h5n

606

CH₂CHNH₂

aminoethene

607

CH₂NCH₃

N-methylmethanimine

nmm

608

CH₃CHNH

ethanimine

609

NH₂BHNH₂

diaminoborane

nh2bhnh2

610

C₂H₅NH⁺

Protonated Aziridine

c2h5nh+

611

C₂H₆N⁺

aziridine, protonated

c2h6n+

612

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

613

CH₃CH₂NH₂

Ethylamine

etam

614

CH₃NHCH₃

Dimethylamine

ch3nhch3

615

CH₃PHCH₃

dimethylphosphine

ch3phch3

616

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

617

(CH₃)₂NH₂⁺

dimethylammonium cation

dmam

618

CH₃CH₂NH₃⁺

ethylamine, protonated

pea

619

Li₂O

dilithium oxide

li2o

620

Li₂S

dilithium sulfide

li2s

621

Na₂O

disodium monoxide

na2o

622

Na₂S

Sodium sulfide

na2s

623

CNO^-

fulminate

cno-

624

NCO^-

cyanate

nco-

625

SCN

thiocyanato radical

scn

626

SCN^-

thiocyanide anion

scn-

627

BO₂

Boron dioxide

bo2

628

BO₂^-

Boron dioxide anion

bo2-

629

N₂O

Nitrous oxide

n2o

630

NNS

Nitrogen sulfide

nns

631

PPO

Phosphorus oxide phosphide

ppo

632

CO₂

Carbon dioxide

co2

633

OCS

Carbonyl sulfide

cos

634

OCS⁺

Carbonyl sulfide cation

cos+

635

SiO₂

silicon dioxide

sio2

636

CS₂

Carbon disulfide

cs2

637

CS₂⁺

Carbon disulfide cation

cs2+

638

TiO₂

Titanium dioxide

tio2

639

SiS₂

Silicon disulfide

sis2

640

GeO₂

Germanium dioxide

geo2

641

OCSe

Carbonyl selenide

ocse

642

SCSe

Carbon sulfide selenide

scse

643

GeS₂

Germanium disulfide

ges2

644

CSe₂

Carbon diselenide

cse2

645

SCTe

Carbon sulfide Telluride

scte

646

PO₂

Phosphorus dioxide

po2

647

PO₂^-

Phosphorus dioxide anion

po2-

648

AsO₂

Aresenic dioxide

aso2

649

O₃

Ozone

650

O₃⁺

Ozone cation

o3+

651

SO₂^-

Sulfur dioxide anion

so2-

652

SO₂⁺

Sulfur dioxide cation

so2+

653

SSO

Disulfur monoxide

sso

654

S₃

Sulfur trimer

655

S₃^-

Sulfur trimer anion

s3-

656

SeO₂

Selenium dioxide

seo2

657

SeO₂⁺

Selenium dioxide cation

seo2+

658

TeO₂

Tellurium Dioxide

teo2

659

CS₂H⁺

Carbon disulfide, protonated

cs2h+

660

HCNO

fulminic acid

hcno

661

HNCO

Isocyanic acid

hnco

662

HOCN

cyanic acid

hocn

663

HNCS

Isothiocyanic acid

hncs

664

HSCN

thiocyanic acid

hscn

665

HCO₂^-

formate anion

hco2-

666

HNNO

nitrosoazane

hnno

667

HNNO⁺

Nitrous oxide, N-protonated

hnno+

668

NNOH⁺

Nitrous Oxide, O-protonated

nnoh+

669

HNO₂

Nitrous acid

hno2

670

HNO₂⁺

nitrous acid cation

hno2+

671

O₃H⁺

protonated ozone

o3h+

672

SO₂H⁺

protonated sulfur dioxide

so2h+

673

C₂H₂O

Oxirene

oxirene

674

CH₂CO

Ketene

ch2co

675

HCCOH

ethynol

hccoh

676

CH₂CS

Thioketene

ch2cs

677

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

678

NH₂NO

Nitrosamide

nh2no

679

CH₂O₂

Dioxirane

diox

680

H₂COO

Dioxymethyl radical

h2coo

681

H₂COO⁺

dioxymethyl cation

h2coo+

682

HCOOH

Formic acid

ch2o2

683

H₂O₃

Hydrogen trioxide

h2o3

684

HSSSH

trisulfane

hsssh

685

NaOCH₃

Sodium methoxide

naoch3

686

CH₂BOH

hydroxy(methylene)borane

ch2boh

687

BH₃CO

Borane carbonyl

bh3co

688

CH₃BO

Borane, methyloxo-

ch3bo

689

CH₂COH⁺

ketene, protonated

ch2coh+

690

CH₃CO

Acetyl radical

ch3co

691

CH₃CO^-

Acetyl anion

ch3co-

692

CH₃CO⁺

acetyl cation

ch3co+

693

CH₂NOH

formaldoxime

ch2noh

694

CH₃NO

nitrosomethane

ch3no

695

CHONH₂

formamide

696

CNOH₃

1,2-oxaziridine

cnoh3

697

HOCHNH

hydroxymethylimine

hochnh

698

CHSNH₂

thioformamide

chsnh2

699

NHCHSH

Methanimidothioic acid

nhchsh

700

CH₃OO

methylperoxy radical

ch3oo

701

CH₃OO^-

methylperoxy anion

ch3oo-

702

C₂H₄O

Ethylene oxide

c2h4o

703

CH₂CHOH

ethenol

ch2choh

704

CH₃CHO

Acetaldehyde

ch3cho

705

C₂H₄S

Thiirane

thiirane

706

CH₂CHSH

Ethenethiol

ch2chsh

707

CH₃CHS

Thioacetaldehyde

ch3chs

708

H₂CONH₂⁺

protonated formamide

h2conh2+

709

NH₂CHOH⁺

Formamide, O-protonated

nh2choh+

710

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

711

CH₂(OH)₂

methanediol

ch2o2h2

712

CH₃OOH

Methyl peroxide

ch3ooh

713

CH₃SSH

Hydrogen methyl disulfide

ch3ssh

714

HSCH₂SH

Methanedithiol

ch4s2

715

H₂OH₂CO

water formaldehyde dimer

h2oh2co

716

C₂H₄OH⁺

ethylene oxide, protonated

c2h4oh+

717

CH₃CHOH⁺

acetaldehyde, protonated

ch3choh+

718

NH₂CH₂OH

aminomethanol

nh2ch2oh

719

CH₃CH₂OH

Ethanol

etoh

720

CH₃OCH₃

Dimethyl ether

meome

721

CH₃CH₂SH

ethanethiol

etsh

722

CH₃SCH₃

Dimethyl sulfide

mesme

723

CH₃SeCH₃

dimethylselenide

dmse

724

CH₃OHH₂O

methanol water dimer

ch3ohh2o

725

H₂OCH₃OH

water methanol dimer

h2och3oh

726

CuF₂

Copper difluoride

cuf2

727

ZnF₂

Zinc difluoride

znf2

728

CNF

iso cyanogen fluoride

cnf

729

FCN

Cyanogen fluoride

fcn

730

ClCN

chlorocyanogen

clcn

731

BrCN

Cyanogen bromide

brcn

732

ICN

Cyanogen iodide

icn

733

FBO

Boron monofluoride monoxide

fbo

734

BeF₂

Beryllium fluoride

bef2

735

MgF₂

Magnesium fluoride

mgf2

736

BeCl₂

Beryllium chloride

becl2

737

MgCl₂

Magnesium dichloride

mgcl2

738

CaCl₂

Calcium Chloride

cacl2

739

ZnCl₂

Zinc dichloride

zncl2

740

BeBr₂

Beryllium bromide

bebr2

741

CaBr₂

Calcium dibromide

cabr2

742

CaF₂

Calcium difluoride

caf2

743

FCO⁺

Carbonyl fluoride cation

fco+

744

ClCO

carbonyl monochloride

clco

745

FNO

Nitrosyl fluoride

fno

746

ClNO

Nitrosyl chloride

clno

747

FNS

Thionitrosyl fluoride

fns

748

FSN

Thiazyl fluoride

fsn

749

OPCl

Phosphorus oxychloride

opcl

750

BrNO

Nitrosyl bromide

brno

751

INO

Nitrosyl iodide

ino

752

CF₂

Difluoromethylene

cf2

753

CFCl

chlorofluoromethylene

cfcl

754

SiF₂⁺

Silicon difluoride cation

sif2+

755

CCl₂

dichloromethylene

ccl2

756

CCl₂^-

dichloromethylene anion

ccl2-

757

SiCl₂

Dichlorosilylene

sicl2

758

GeF₂

Germanium difluoride

gef2

759

GeCl₂

Germanium dichloride

gecl2

760

CBr₂

dibromomethylene

cbr2

761

FOO

Dioxygen monofluoride radical

foo

762

ClOO

chloroperoxy radical

cloo

763

ClOO⁺

chloroperoxy cation

cloo+

764

OClO⁺

Chlorine dioxide cation

oclo+

765

ClSO

Sulfur chloride oxide

clso

766

ClS₂

Sulfur chloride

cls2

767

NF₂

Difluoroamino radical

nf2

768

PF₂⁺

Phosphorus difluoride cation

pf2+

769

FClO

chlorosyl fluoride

fclo

770

F₂O

Difluorine monoxide

f2o

771

ClOF

Chlorine hypofluorite

clof

772

SF₂

sulfur difluoride

sf2

773

Cl₂O

Dichlorine monoxide

cl2o

774

SCl₂

Sulfur dichloride

scl2

775

SeF₂

Selenium difluoride

sef2

776

BrOCl

Bromine hypochlorite

brocl

777

SeCl₂

Selenium Dichloride

secl2

778

SBr₂

Sulfur dibromide

sbr2

779

SeBr₂

Selenium dibromide

sebr2

780

BrOBr

Bromine oxide

brobr

781

F₃^-

trifluoride anion

f3-

782

Cl₃^-

trichloride anion

cl3-

783

Br₃^-

tribromide anion

br3-

784

SFCl

Sulfur chloride fluoride

sfcl

785

HCCF

Fluoroacetylene

hccf

786

HCCCl

Chloroacetylene

hcccl

787

HCCBr

bromoacetylene

hccbr

788

HFCO

formyl fluoride

hfco

789

COHCl

Formyl chloride

cohcl

790

COHBr

Formyl bromide

cohbr

791

BHF₂

Difluoroborane

bhf2

792

BHCl₂

Borane, dichloro-

bhcl2

793

CHCl₂

dichloromethyl radical

chcl2

794

CHF₂⁺

difluoromethyl cation

chf2+

795

CHFCl⁺

Chlorofluoromethyl cation

chfcl+

796

CHCl₂⁺

dichloromethyl cation

chcl2+

797

HOClO

Chlorous acid

hoclo

798

NHF₂

difluoramine

nhf2

799

NHCl₂

dichloroamine

nhcl2

800

CH₂F₂

Methane, difluoro-

ch2f2

801

CH₂FCl

fluorochloromethane

ch2fcl

802

SiH₂F₂

difluorosilane

sih2f2

803

CH₂Cl₂

Methylene chloride

ch2cl2

804

CH₂BrF

Methane, bromofluoro-

ch2fbr

805

CH₂BrCl

Methane, bromochloro-

ch2clbr

806

CH₂FI

fluoroiodomethane

ch2fi

807

CH₂Br₂

dibromomethane

ch2br2

808

CH₂ClI

chloroiodomethane

ch2cli

809

CH₂BrI

bromoiodomethane

ch2bri

810

CH₂I₂

Diiodomethane

ch2i2

811

SiH₂Cl₂

dichlorosilane

sih2cl2

812

CH₃MgBr

Methyl Magnesium Bromide

ch3mgbr

813

CH₂CHF⁺

fluoroethene cation

ch2chf+

814

C₂H₃Cl

Ethene, chloro-

ch2chcl

815

C₂H₃Br

vinyl bromide

c2h3br

816

C₂H₃I

Vinyl iodide

c2h3i

817

CH₂FOH

fluoromethanol

ch2foh

818

CH₂CH₂Cl

2-chloroethyl radical

ch2ch2cl

819

C₂H₅F

fluoroethane

c2h5f

820

CH₃CH₂Cl

Ethyl chloride

c2h5cl

821

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

822

C₂H₅Br

Ethyl bromide

etbr

823

C₂H₅I

Ethyl iodide

c2h5i

824

KrF₂

Krypton difluoride

krf2

825

XeF₂

Xenon difluoride

xef2

826

B₄H₁₀

Tetraborane(10)

b4h10

827

C₄⁺

Carbon tetramer cation

c4+

828

C₄H₂

Diacetylene

c4h2

829

C₂H₃CCH

1-Buten-3-yne

c2h3cch

830

C₄H₄

cyclobutadiene

cbd

831

C₄H₄

Tetrahedrane

c4h4

832

H₂CCCCH₂

Butatriene

h2cccch2

833

C₄H₆

1-Methylcyclopropene

c3100047

834

C₄H₆

Cyclobutene

c822355

835

C₄H₆

Methylenecyclopropane

c6142730

836

CH₂CCHCH₃

1,2-Butadiene

butad12

837

CH₂CHCHCH₂

1,3-Butadiene

c106990

838

CH₃CCCH₃

2-Butyne

c503173

839

CHCCH₂CH₃

1-Butyne

c107006

840

C₄H₈

methylcyclopropane

mcp

841

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

842

CH₂CHCH₂CH₃

1-Butene

bute1

843

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

844

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

845

B(CH₃)₃

trimethylborane

bme3

846

Al(CH₃)₃

trimethyl aluminum

tma

847

C(CH₃)₃

Tert-butyl radical

tbutyl

848

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

849

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

850

CH₃CH(CH₃)CH₃

Isobutane

isobutane

851

CH₃CH₂CH₂CH₃

Butane

butane

852

SiH(CH₃)₃

trimethylsilane

trimsi

853

Li₃N

trilithium nitride

li3n

854

C₂N₂

Cyanogen

c2n2

855

P₄

Phosphorus tetramer

856

As₄

Arsenic tetramer

as4

857

HCCCN

Cyanoacetylene

hcccn

858

H₂CNCN

cyanamide, methylene

ch2ncn

859

HNCCNH

Ethenediimine

hnccnh

860

C₃H₃N

acrylonitrile

ch2chcn

861

CH₃N₃

methyl azide

ch3n3

862

NH₂CCNH₂

Diaminoacetylene

daa

863

NH₂CH₂CN

Aminoacetonitrile

aan

864

CH₃NHN₂⁺

methyl azide, protonated

ch3nhn2+

865

C₂H₅CN

ethyl cyanide

c2h5cn

866

CH₅N₃

Guanidine

guanidine

867

C₄H₆

Bicyclo[1.1.0]butane

c157335

868

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

869

H₂NCHCHNH₂

diaminoethylene

dae

870

CH₆N₃⁺

guanidinium

ch6n3+

871

C₃H₇N

Cyclopropylamine

cpram

872

CH₇N₃

triaminomethane

tam

873

C₃H₇N

Azetidine

azet

874

C₄H₈

cyclobutane

cbutane

875

C₂H₈N₂

Ethylenediamine

ethdiam

876

CH₃NHNHCH₃

dimethyl hydrazine

dmh

877

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

878

N(CH₃)₃

Trimethylamine

trimeam

879

NH₂CH₂CH₂CH₃

1-Propanamine

pram1

880

P(CH₃)₃

trimethylphosphine

tmp

881

N(SiH₃)₃

trisilylamine

tsa

882

As(CH₃)₃

trimethyl arsine

tmas

883

(CH₃)₃NH⁺

protonated trimethyl amine

ptma

884

C₃H₇NH₃⁺

n-propylamine, protonated

c3h7nh2

885

Li₂O₂

dilithium dioxide

li2o2

886

Na₂O₂

disodium dioxide

na2o2

887

K₂O₂

dipotassium dioxide

k2o2

888

C₃O

Tricarbon monoxide

c3o

889

B₂O₂

Diboron dioxide

b2o2

890

ONNO

NO dimer

onno

891

S₂N₂

Disulfur dinitride

s2n2

892

CO₃

Carbon trioxide

co3

893

CO₃^--

carbonate

co3--

894

CS₃^--

Carbonotrithioate

cs3--

895

NO₃

Nitrogen trioxide

no3

896

NO₃^-

nitrate anion

no3-

897

SO₃

Sulfur trioxide

so3

898

SO₃^-

Sulfur trioxide anion

so3-

899

SO₃^--

Sulfate dianion

so3--

900

SO₃⁺

Sulfur trioxide cation

so3+

901

SeO₃

selenium trioxide

seo3

902

S₄

Sulfur tetramer

903

TeO₃

Tellurium trioxide

teo3

904

HNO₃

Nitric acid

hno3

905

HSO₃

Hydroxysulfonyl radical

hso3

906

NH₂NO₂

nitramide

nh2no2

907

C₂H₂CO

cyclopropenone

c2h2co

908

C₃H₂O

Propadienal

c3h2o

909

HCCCHO

2-propynal

hcccho

910

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

911

H₂CO₃

Carbonic acid

h2co3

912

H₂CS₃

thiocarbonic acid

h2cs3

913

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

914

H₂SO₃

Sulfurous acid

h2so3

915

C₂H₃NO

Nitrosoethylene

c2h3no

916

CH₃NCO

methylisocyante

ch3nco

917

HOCH₂CN

cyanomethanol

hoch2cn

918

CH₃COO^-

acetate anion

ch3coo-

919

CH₃NO₂

Methane, nitro-

ch3no2

920

CH₃ONO

Methyl nitrite

ch3ono

921

NH₂COOH

Carbamic acid

nh2cooh

922

H₃BO₃

Boric acid

h3bo3

923

H₃AlO₃

Aluminum hydroxide

h3alo3

924

H₃CO₃⁺

carbonic acid, protonated

h3co3+

925

C₃H₄O

2-Propyn-1-ol

c107197

926

C₃H₄O

allenol

c9000071

927

C₃H₄O

Cyclopropanone

cpone

928

C₃H₄O

Methylketene

c6004440

929

CH₂CHCHO

Acrolein

c3h4o

930

NH₂CONH₂

Urea

urea

931

NH₂CONH₂⁺

Urea cation

urea+

932

NH₂CSNH₂

Thiourea

thiourea

933

C₂H₄O₂

1,3-dioxetane

c2h4o2

934

CH₃COOH

Acetic acid

ch3cooh

935

CH₃OCHO

methyl formate

ch3ocho

936

CHOCH₂OH

hydroxy acetaldehyde

haa

937

NH₂COOH₂⁺

Carbamic acid, O-protonated

nh2cooh2+

938

NH₃COOH⁺

protonated Carbamic acid

nh3cooh+

939

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

940

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

941

HCOOHH₂O

Formic acid water dimer

hcoohh2o

942

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

943

CH₂C(OH)NH₂

1-amino vinyl alchohol

ava

944

CH₃C(OH)=NH

Ethaninidic acid

eia

945

CH₃CHNOH

Acetaldoxime

acetaldoxime

946

CH₃CONH₂

Acetamide

acetamide

947

HCONHCH₃

N-methylformamide

nmfa

948

CH₃CSNH₂

Ethanethioamide

ch3csnh2

949

CH₅N₂O⁺

urea, N-protonated

ch4n2o+

950

H₂NCOHNH₂⁺

urea, protonated

ureah+

951

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

952

C₃H₅OH

Cyclopropanol

cproh

953

C₃H₆O

2-Propen-1-ol

c107186

954

C₃H₆O

Acetone enol

enol

955

C₃H₆O

Oxetane

oxetane

956

C₃H₆O

Propylene oxide

prox

957

CH₃CH₂CHO

Propanal

propanal

958

CH₃COCH₃

Acetone

acetone

959

C₃H₆S

Thietane

thietane

960

C₃H₆S

Thiirane, methyl-

methiirane

961

CH₃CSCH₃

Thioacetone

ch3csch3

962

C₂H₆O₂

1,2-Ethanediol

ethdiol

963

CH₃OOCH₃

dimethylperoxide

dmp

964

CH₃SOCH₃

Dimethyl sulfoxide

dmso

965

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

966

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

967

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

968

HOCH₂CH₂NH₂

monoethanolamine

mea

969

C₃H₇OH

1-Propanol

proh

970

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

971

CH₃OC₂H₅

Ethane, methoxy-

etome

972

C₃H₇SH

1-Propanethiol

prsh

973

CH₃CHSHCH₃

2-Propanethiol

isoprsh

974

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

975

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

976

Li₂F₂

Lithium fluoride dimer

li2f2

977

Na₂F₂

Sodium Fluoride Dimer

na2f2

978

Na₂Cl₂

Disodium dichloride

na2cl2

979

C₂F₂

difluoroacetylene

c2f2

980

C₂Cl₂

dichloroacetylene

c2cl2

981

FNO₂

Nitryl fluoride

fno2

982

FONO

Nitrosyl hypofluorite

fono

983

ClNO₂

Nitryl chloride

clno2

984

ClONO

chlorine nitrite

clono

985

N₂F₂

(Z)-Difluorodiazene

n2f2_z

986

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

987

CF₂O

Carbonic difluoride

f2co

988

COFCl

Carbonic chloride fluoride

cofcl

989

CCl₂O

Phosgene

cl2co

990

Cl₂CS

Thiophosgene

cl2cs

991

COBr₂

Carbonic dibromide

cobr2

992

BF₃

Borane, trifluoro-

bf3

993

AlF₃

Aluminum trifluoride

alf3

994

BClF₂

Chlorodifluoroborane

bclf2

995

AlF₂Cl

Aluminum chloride difluoride

alclf2

996

ScF₃

Scandium trifluoride

ScF3

997

AlFCl₂

Aluminum dichloride fluoride

alcl2f

998

BCl₃

Borane, trichloro-

bcl3

999

GaF₃

Gallium trifluoride

gaf3

1000

AlCl₃

Aluminum trichloride

alcl3

1001

GaCl₃

Gallium trichloride

gacl3

1002

BBr₃

Boron tribromide

bbr3

1003

AlBr₃

Aluminum Bromide

albr3

1004

ClO₃

Chlorine trioxide

clo3

1005

ClO₃^-

chlorate anion

clo3-

1006

BrO₃^-

Bromate anion

bro3-

1007

CF₃

Trifluoromethyl radical

cf3

1008

SiF₃

Silicon trifluoride radical

sif3

1009

SiF₃⁺

Silicon trifluoride cation

sif3+

1010

CCl₃

Trichloromethyl radical

ccl3

1011

SiCl₃

trichlorosilyl radical

sicl3

1012

SiCl₃⁺

trichlorosilyl cation

sicl3+

1013

FOOF

Perfluoroperoxide

foof

1014

ClO₂F

Chloryl fluoride

clo2f

1015

F₂SO

Thionyl Fluoride

f2so

1016

ClOOCl

Dichlorine dioxide

cloocl

1017

FSSF

Difluorodisulfane

fssf

1018

S₂F₂

Thio-thionyl fluoride

s2f2

1019

SOCl₂

thionyl chloride

socl2

1020

SSCl₂

Thiothionyl chloride

sscl2

1021

SeOCl₂

selenium oxychloride

seocl2

1022

PF₃

Phosphorus trifluoride

pf3

1023

NCl₃

nitrogen trichloride

ncl3

1024

AsF₃

Arsenic trifluoride

asf3

1025

PCl₃

Phosphorus trichloride

pcl3

1026

SbF₃

Antimony Trifluoride

sbf3

1027

AsCl₃

Arsenous trichloride

ascl3

1028

SbCl₃

Antimony Trichloride

sbcl3

1029

PBr₃

Phosphorus tribromide

pbr3

1030

AsBr₃

Arsenic tribromide

asbr3

1031

NI₃

Nitrogen triiodide

ni3

1032

PI₃

Phosphorus triiodide

pi3

1033

ClSSCl

Disulfur dichloride

s2cl2

1034

SF₃

Sulfur trifluoride

sf3

1035

ClF₃

Chlorine trifluoride

clf3

1036

BrF₃

Bromine trifluoride

brf3

1037

IF₃

iodone trifluoride

if3

1038

HClO₃

Chloric Acid

hclo3

1039

CHF₃

Methane, trifluoro-

chf3

1040

CHF₂Cl

difluorochloromethane

chf2cl

1041

SiHF₃

trifluorosilane

sihf3

1042

CHFCl₂

fluorodichloromethane

chfcl2

1043

CDCl₃

trichloromethane-d

cdcl3

1044

CHCl₃

Chloroform

chcl3

1045

CHBrF₂

Methane, bromodifluoro-

chbrf2

1046

SiHCl₃

Trichlorosilane

sihcl3

1047

CHFClBr

fluorochlorobromomethane

chfclbr

1048

CHBrCl₂

Methane, bromodichloro-

chbrcl2

1049

CHF₂I

difluoroiodomethane

chf2i

1050

CHBr₂F

dibromofluoromethane

chbr2f

1051

CHFClI

fluorochloroiodomethane

chfcli

1052

CHCl₂I

dichloroiodomethane

chcl2i

1053

CHClBr₂

Methane, dibromochloro-

chclbr2

1054

CHBr₃

bromoform

chbr3

1055

CHI₃

Iodoform

chi3

1056

NF₃H⁺

protonated nitrogen trifluoride

nf3h+

1057

AsF₃H⁺

Arsenic trifluoride, protonated

asf3h+

1058

C₂H₂F₂

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

c2h2f2e

1059

C₂H₂F₂

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

c2h2f2z

1060

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

1061

C₂H₂ClF

1-chloro-1-fluoroethylene

c2h2clf

1062

CHFCHCl

(E)-1-chloro-2-fluoroethene

chfchcle

1063

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

chfchclz

1064

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

1065

CHClCHCl

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

chclchcle

1066

CHClCHCl

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

chclchclz

1067

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

1068

CHBrCHBr

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

chbrchbre

1069

CHBrCHBr

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

chbrchbrz

1070

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

1071

CH₃COF

Acetyl fluoride

ch3cof

1072

CH₃COCl

Acetyl Chloride

ch3cocl

1073

CH₃CHF₂

Ethane, 1,1-difluoro-

ch3chf2

1074

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

ch2fch2cl

1075

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

1076

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

1077

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

1078

CH₂BrCH₂Cl

1-bromo-2-chloroethane

ch2brch2cl

1079

CH₂CFCH₃

2-fluoropropene

2fpro

1080

CH₂CHCH₂F

Allyl Fluoride

allylf

1081

CH₃CHCHF

trans-1-Fluoro-1-propene

propene1ft

1082

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

1083

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

1084

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

1085

CH₂FCH₂OH

2-fluoroethanol

ch2fch2oh

1086

CH₂ClCH₂OH

2-Chloroethanol

ch2clch2oh

1087

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

ch2clch2oh2+

1088

CH₂FCH₂CH₃

1-Fluoropropane

prf1

1089

CH₃CHFCH₃

2-Fluoropropane

prf2

1090

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

1091

CH₃CHClCH₃

Propane, 2-chloro-

prcl2

1092

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

1093

B₅H₉

pentaborane9

b5h9

1094

C₅H₄

pentatetraene

ptrene

1095

C₅H₅^-

cylopentadienyl anion

c5h5-

1096

C₅H₆

1,3-Cyclopentadiene

c542927

1097

C₅H₆

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

c78808

1098

C₅H₆

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

c2004695

1099

C₅H₆

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

c1574409

1100

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

1101

C₅H₆

Cyclopropylacetylene

c6746947

1102

C₅H₆

Propellane

propellane

1103

C₅H₇

1,3-pentadienyl radical

pdyl

1104

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

1105

C₅H₈

1,2-Pentadiene

c591957

1106

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

1107

C₅H₈

1,3-Pentadiene, (E)-

c2004708

1108

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

1109

C₅H₈

1,4-Pentadiene

c591935

1110

C₅H₈

1-pentyne

a1pentyne

1111

C₅H₈

2,3-Pentadiene

c591968

1112

C₅H₈

Bicyclo[1.1.1]pentane

bcp

1113

C₅H₈

Cyclobutane, methylene-

c1120565

1114

C₅H₈

Cyclopentene

c142290

1115

C₅H₈

Ethenylcyclopropane

c693867

1116

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

1117

C₅H₁₀

1-Butene, 2-methyl-

c563462

1118

C₅H₁₀

2-Butene, 2-methyl-

c513359

1119

C₅H₁₀

2-Pentene, (E)-

c646048

1120

C₅H₁₀

2-Pentene, (Z)-

c627203

1121

C₅H₁₀

Cyclopentane

c287923

1122

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

1123

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

1124

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

1125

C₅H₁₂

Butane, 2-methyl-

buta2

1126

C₅H₁₂

Pentane

pentane

1127

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

1128

Si(CH₃)₄

tetramethylsilane

tms

1129

N₂O₃

Dinitrogen trioxide

n2o3

1130

C₃H₂N₂

Malononitrile

c3h2n2

1131

CH₂N₄

1H-Tetrazole

1htz

1132

C₃H₃N₂^-

imidizolyl anion

im-

1133

C₂H₃N₃

1H-1,2,4-Triazole

c288880

1134

C₄H₄N^-

pyrrolide anion

c4h4n-

1135

C₃H₄N₂

1H-Pyrazole

1hpyraz

1136

C₃H₄N₂

2H-Imidazole

imid2h

1137

C₃H₄N₂

4H-Imidazole

imid4h

1138

C₄H₅N

(E)-2-Butenenitrile

c627269

1139

C₄H₅N

(Z)-2-Butenenitrile

c1190767

1140

C₄H₅N

2H-pyrrole

pyrrole2

1141

C₄H₅N

3H-pyrrole

pyrrole3

1142

C₄H₅N

Cyclopropanecarbonitrile

c5500210

1143

C₄H₅N

Pyrrole

pyrrole

1144

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

1145

C₄H₆N⁺

pyrrole, alpha-protonated

appyr

1146

C₄H₆N⁺

pyrrole, beta-protonated

bppyr

1147

C₄H₆N⁺

pyrrole, protonated

ppyr

1148

C₃H₆N₂

3-Aminopropionitrile

c151188

1149

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

1150

CH₃CH₂CH₂CN

Butanenitrile

c109740

1151

C₅H₈

Bicyclo[2.1.0]pentane

c185944

1152

C₅H₈

Spiropentane

c157404

1153

C₄H₉N

Cyclobutylamine

cbam

1154

C₄H₉N

Pyrrolidine

pyrrolidine

1155

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

1156

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

1157

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1158

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1159

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1160

NH(C₂H₅)₂

diethylamine

dea

1161

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1162

C₃O₂

Carbon suboxide

c3o2

1163

B₂O₃

diboron trioxide

b2o3

1164

MgCO₃

Magnesium Carbonate

mgco3

1165

BeCO₃

Beryllium Carbonate

beco3

1166

CaCO₃

Calcium Carbonate

caco3

1167

ONONO

Nitrosyl nitrite

onono

1168

PO₄^---

phosphate

po4---

1169

SO₄^--

sulfate

so4--

1170

HOONO₂

peroxy nitric acid

hoono2

1171

HSO₄^-

bisulfate anion

hso4-

1172

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1173

C₃H₂O₂

Propiolic acid

c3h2o2

1174

CHOCOOH

oxo acetic acid

oaa

1175

CHOOCHO

diformyl ether

choocho

1176

H₂SO₄

Sulfuric acid

h2so4

1177

H₂SeO₄

Selenic acid

h2seo4

1178

C₃H₃NO

Isoxazole

isox

1179

C₃H₃NO

Oxazole

oxazole

1180

C₃H₃NS

Thiazole

thiazole

1181

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1182

CH₃NO₃

Methyl nitrate

ch3no3

1183

H₃PO₄

Phosphoric Acid

h3po4

1184

C₄H₄O

Furan

furan

1185

C₄H₄O⁺

Furan cation

furan+

1186

CH₃COCCH

3-butyn-2-one

c1423605

1187

C₄H₄S

Thiophene

furans

1188

C₄H₄Se

selenophene

c4h4se

1189

C₃H₄O₂

β–Propiolactone

beta

1190

C₃H₄O₂

2-Propenoic acid

propenoic2

1191

C₃H₄O₂

Methyl glyoxal

megly

1192

C₃H₄O₂

propanedial

1193

C₃H₄O₂

propenalol

1194

HOCHCCHOH

allenediol

aldiol

1195

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1196

C₂H₄O₃

trioxolane124

triox

1197

HOCH₂COOH

Hydroxyacetic acid

hac

1198

CH₂CHCONH₂

Acrylamide

c79061

1199

CH₃OCH₂CN

Methoxyacetonitrile

c1738369

1200

CH₅N₃S

Hydrazinecarbothioamide

c79196

1201

H₂NCH₂COOH

Glycine

glycine

1202

CH₃SO₂NH₂

methanesulfonamide

ch3so2nh2

1203

C₄H₆O

cis-2-butenal

butenal2c

1204

C₄H₆O

Cyclobutanone

cbutone

1205

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1206

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1207

CH₂CHOCHCH₂

Vinyl ether

vinylether

1208

CHOCHCHCH₃

2-Butenal

butenal2

1209

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1210

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1211

CH₂CHSCHCH₂

Divinyl sulfide

divis

1212

C₂H₆N₂O

Urea, methyl-

c598505

1213

C₃H₆O₂

1,3-Dioxolane

dioxolane

1214

CH₃CH₂COOH

Propanoic Acid

propanoic

1215

CH₃COOCH₃

methyl acetate

aame

1216

HCOOC₂H₅

Ethyl formate

faee

1217

C₂H₆O₂S

Dimethyl sulfone

c67710

1218

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1219

C₃H₇NO

dimethylformamide

dmf

1220

C₃H₇NO

Propanamide

propanam

1221

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1222

C₄H₈O

Cyclobutanol

c2919235

1223

C₄H₈O

Furan, tetrahydro-

thf

1224

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1225

CH₃COCH₂CH₃

2-Butanone

buta2one

1226

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1227

CHOCH₂CH₂CH₃

Butanal

butanal

1228

C₄H₈S

Thiophene, tetrahydro-

tht

1229

C₃H₈O₂

1,3-Propanediol

c504632

1230

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1231

C₃H₈O₂

Methane, dimethoxy-

c109875

1232

C₃H₈O₂

Propylene glycol

c57556

1233

C₃H₈S₂

1,3-Propanedithiol

c109808

1234

C₄H₁₀O

1-Butanol

butanol1

1235

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1236

C₄H₁₀O

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

butanol2

1237

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1238

C₄H₁₀O

Ethoxy ethane

etoet

1239

C₄H₁₀O

Methyl propyl ether

meopr

1240

C₄H₁₀O

Propane, 2-methoxy-

c598538

1241

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1242

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

tbush

1243

C₂H₅SC₂H₅

Diethyl sulfide

etset

1244

C₄H₉SH

1-Butanethiol

bush

1245

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1246

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1247

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1248

FNO₃

Fluorine nitrate

fno3

1249

ClONO₂

Chlorine nitrate

clono2

1250

BrONO₂

Bromine nitrate

brono2

1251

TiCl₄

Titanium tetrachloride

ticl4

1252

ClO₄^-

perchlorate anion

clo4-

1253

BF₄^-

tetrafluoroboron anion

bf4-

1254

ClFO₃

Perchloryl fluoride

clfo3

1255

SO₂F₂

Sulfuryl fluoride

so2f2

1256

SO₂Cl₂

Sulfuryl chloride

so2cl2

1257

F₃NO

Nitrogen trifluoride oxide

f3no

1258

F₃PO

Phosphoryl fluoride

pf3o

1259

Cl₃PO

Phosphoryl chloride

pcl3o

1260

CF₄

Carbon tetrafluoride

cf4

1261

CF₃Cl

Methane, chlorotrifluoro-

cf3cl

1262

SiF₄

Silicon tetrafluoride

sif4

1263

CF₂Cl₂

difluorodichloromethane

cf2cl2

1264

TiF₄

Titanium tetrafluoride

tif4

1265

CFCl₃

Trichloromonofluoromethane

cfcl3

1266

CF₃Br

Bromotrifluoromethane

cf3br

1267

GeF₄

Germanium tetrafluoride

gef4

1268

CCl₄

Carbon tetrachloride

ccl4

1269

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1270

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

1271

SiCl₄

Silane, tetrachloro-

sicl4

1272

CBrCl₂F

bromodichlorofluoromethane

cbrcl2f

1273

CF₃I

trifluoroiodomethane

cf3i

1274

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1275

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1276

GeCl₄

Germanium Tetrachloride

gecl4

1277

CBr₂ClF

dibromochlorofluoromethane

cbr2clf

1278

CBr₂Cl₂

dibromodichloromethane

cbr2cl2

1279

CCl₃I

trichloroiodomethane

ccl3i

1280

CFBr₃

fluorotribromomethane

cfbr3

1281

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1282

CBr₃Cl

tribromochloromethane

cbr3cl

1283

CF₂I₂

difluorodiiodomethane

cf2i2

1284

CBr₄

Carbon tetrabromide

cbr4

1285

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1286

SiBr₄

Silicon tetrabromide

sibr4

1287

CBr₃I

tribromoiododmethane

cbr3i

1288

GeBr₄

Germanium tetrabromide

gebr4

1289

CI₄

tetraiodomethane

ci4

1290

SiI₄

silicon tetraiodide

sii4

1291

ClOF₃

Chlorine trifluoride oxide

clof3

1292

SF₄

Sulfur tetrafluoride

sf4

1293

SeF₄

Selenium tetrafluoride

sef4

1294

SCl₄

Sulfur tetrachloride

scl4

1295

C₂HF₃

Trifluoroethylene

c2hf3

1296

CHClCCl₂

Trichloroethylene

chclccl2

1297

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1298

HClO₄

perchloric acid

hclo4

1299

HSO₃F

Fluorosulfonic acid

hso3f

1300

CF₃OH

trifluoromethanol

cf3oh

1301

CH₂ClCCCl

1,3-dichloropropyne

ch2clcccl

1302

CHClCCHCl

1,3-dichloroallene

chclcchcl

1303

CHCl₂CCH

3,3-dichloropropyne

chcl2cch

1304

PF₃CH₂

phosphorane, trifluoromethylene-

pf3ch2

1305

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1306

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

ch2fchf2

1307

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1308

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1309

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1310

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1311

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1312

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1313

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1314

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

c4h5cl

1315

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1316

CH₂FCH₂CH₂F

1,3-difluoropropane

ch2fch2ch2f

1317

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1318

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1319

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1320

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

prdicl22

1321

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1322

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1323

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1324

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1325

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1326

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

bute2cl1

1327

CH₃CClCHCH₃

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

bute2cl2e

1328

CH₃CClCHCH₃

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

bute2cl2z

1329

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1330

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1331

C₄H₉F

1-fluorobutane

butaf1

1332

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1333

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1334

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1335

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1336

C₂H₂N₂O

Furazan

furazan

1337

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1338

NH₃BF₃

Amminetrifluoroboron

nh3bf3

1339

C₆H₂

hexatriyne

c6h2

1340

C₆H₄

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

c6h4e

1341

C₆H₄

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

c6h4z

1342

C₆H₄

Benzyne

benzyne

1343

C₆H₅

phenyl

1344

C₆H₅^-

phenyl anion

phenyl-

1345

C₆H₆

Prismane

prismane

1346

C₆H₆

1,2,4,5-Hexatetraene

ht1245

1347

C₆H₆

2,4-Hexadiyne

hexadiyne

1348

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1349

C₆H₆

Benzene

benzene

1350

C₆H₆

Benzvalene

1351

C₆H₆

Dewar Benzene

dewar

1352

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

1353

C₆H₆

Trimethylenecycopropane

tmcp

1354

C₆H₆⁺

Benzene cation

c6h6+

1355

C₆H₇⁺

benzene, protonated

c6h7+

1356

C₆H₈

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

c821078

1357

C₆H₈

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

hexatri135

1358

C₆H₈

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

hetr234c

1359

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1360

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1361

C₆H₈

3-Methylenecyclopentene

c930267

1362

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1363

C₆H₈

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

c30830207

1364

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1365

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1366

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1367

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1368

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1369

C₆H₁₀

1,5-Hexadiene

c592427

1370

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1371

C₆H₁₀

1-Hexyne

hexyne1

1372

C₆H₁₀

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

hexdi24ee

1373

C₆H₁₀

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

hexdi24ez

1374

C₆H₁₀

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

hexdi24zz

1375

C₆H₁₀

2-Hexyne

c764352

1376

C₆H₁₀

3-Hexyne

hexyne3

1377

C₆H₁₀

cyclohexene

1378

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1379

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1380

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1381

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1382

C₆H₁₂

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

dmcb12t

1383

C₆H₁₂

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

dmcb13t

1384

C₆H₁₂

(E)-2-Hexene

e2hexene

1385

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1386

C₆H₁₂

(E)-hex-3-ene

e3hexene

1387

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1388

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1389

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1390

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1391

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1392

C₆H₁₂

3-methylenepentane

c760214

1393

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1394

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1395

C₆H₁₂

Cyclohexane

cyclohexane

1396

C₆H₁₂

Cyclopentane, methyl-

c96377

1397

C₆H₁₂

Ethylcyclobutane

c4806615

1398

C₆H₁₂

hex-1-ene

hexene1

1399

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1400

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1401

C₆H₁₄

Hexane

hexane

1402

C₆H₁₄

Pentane, 2-methyl-

penta2

1403

C₆H₁₄

Pentane, 3-methyl-

penta3

1404

C₄N₂

2-Butynedinitrile

c4n2

1405

N₃P₃

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

n3p3

1406

C₄H₂N₂

Fumaronitrile

c4h2n2

1407

C₂H₂N₄

sym-tetrazine

ttz

1408

C₃H₃N₃

1,3,5-Triazine

triazine135

1409

CH₃N₅

5-Aminotetrazole

c4418615

1410

C₄H₄N₂

1,3-Diazine

diazine13

1411

C₄H₄N₂

Pyrazine

pyrazine

1412

C₄H₄N₂

Pyridazine

pyridazine

1413

C₄H₄N₂

Succinonitrile

c110612

1414

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1415

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1416

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1417

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1418

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1419

C₅H₅N

Pyridine

pyridine

1420

B₃N₃H₆

borazine

1421

C₆H₆

Fulvene

fulvene

1422

C₅H₆N⁺

Pyridinium

c5h6n

1423

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1424

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1425

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1426

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1427

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1428

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1429

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1430

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1431

C₅H₉N

Pentanenitrile

c110598

1432

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1433

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1434

C₅H₁₁N

Cyclopentanamine

cypentam

1435

C₅H₁₁N

Piperidine

piper

1436

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1437

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1438

Li₂CO₃

Lithium Carbonate

li2co3

1439

Na₂CO₃

Sodium Carbonate

na2co3

1440

C₂O₄^--

oxalate anion

c2o4

1441

MgSO₄

Magnesium Sulfate

mgso4

1442

N₂O₄

Dinitrogen tetroxide

n2o4

1443

C₃H₂O₃

vinylene carbonate

vica

1444

C₂H₂O₄

Oxalic Acid

oxalic

1445

C₂H₃NO₃

Oxamic acid

oxamic

1446

C₄H₄O₂

2(5H)-Furanone

furanone

1447

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1448

C₂H₄N₂O₂

Oxalamide

oxalamide

1449

C₂H₄N₂S₂

Ethanedithioamide

c79403

1450

C₂H₄CO₃

Ethylene carbonate

etco3

1451

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1452

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1453

C₂H₄O₄

Formic acid dimer

fadimer

1454

C₄H₅NO

3-Methylisoxazole

isox3m

1455

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1456

C₄H₅NS

4-Methylthiazole

c693958

1457

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1458

C₅H₆O

2H-Pyran

pyran2

1459

C₅H₆O

2-methylfuran

furan2m

1460

C₅H₆O

3-Methylfuran

furan3m

1461

C₅H₆O

Pentadienal

pdal

1462

C₅H₆S

Thiophene, 2-methyl-

c554143

1463

C₅H₆S

Thiophene, 3-methyl-

c616444

1464

C₄H₆O₂

γ–Butyrolactone

c96480

1465

C₄H₆O₂

2,3-Butanedione

c431038

1466

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1467

C₄H₆O₂

Crotonic Acid

crot

1468

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1469

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1470

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1471

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1472

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1473

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1474

C₄H₆OS

Vinyl sulfoxide

c1115157

1475

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1476

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1477

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1478

C₃H₆O₃

1,3,5-Trioxane

trioxane

1479

C₃H₆S₃

1,3,5-Trithiane

c3h6s3

1480

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1481

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1482

C₄H₇NO

2-Pyrrolidinone

c616455

1483

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1484

C₄H₇NO

Methacrylamide

c79390

1485

C₄H₇NO

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

c1120645

1486

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1487

C₃H₇ONO

Propyl nitrite

prono

1488

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1489

CH₃CH(NH₂)COOH

Alanine

alanine

1490

CH₃NHCH₂COOH

Sarcosine

sarcosine

1491

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1492

NH₂COOC₂H₅

Urethane

urethane

1493

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1494

C₅H₈O

Cyclopentanone

c120923

1495

C₅H₈O

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

c1487156

1496

C₅H₈O

Methyl cyclopropyl ketone

c765435

1497

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1498

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

1499

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1500

C₄H₈O₂

1,3-Dioxane

dioxan13

1501

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1502

C₄H₈O₂

1,4-Dioxane

dioxan14

1503

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1504

C₄H₈O₂

Ethyl acetate

c141786

1505

C₄H₈OS

s-Ethyl thioacetate

c625605

1506

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1507

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1508

C₄H₉NO

Butanamide

c541355

1509

C₄H₉NO

Propanamide, 2-methyl-

c563837

1510

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1511

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1512

C₅H₁₀O

2-methylbutyraldehyde

2meba

1513

C₅H₁₀O

2-Pentanone

mpk

1514

C₅H₁₀O

3-Pentanone

dek

1515

C₅H₁₀O

Cyclopentanol

c96413

1516

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1517

C₅H₁₀O

Pentanal

pal

1518

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1519

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1520

C₅H₁₀S

Cyclopentanethiol

c1679078

1521

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1522

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1523

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1524

C₄H₁₀O₂

1,3-Butanediol

budiol13

1525

C₄H₁₀O₂

1,4-Butanediol

budiol14

1526

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1527

C₄H₁₀OS

Diethyl sulfoxide

c70291

1528

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1529

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1530

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1531

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1532

C₅H₁₂O

1-Pentanol

pentanol1

1533

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1534

C₅H₁₂O

2-Pentanol

peol2

1535

C₅H₁₂O

3-Pentanol

pentan3ol

1536

C₅H₁₂O

Butane, 1-methoxy-

meobu

1537

C₅H₁₂O

Propane, 1-ethoxy-

proet

1538

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1539

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1540

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1541

C₅H₁₂S

1-Pentanethiol

c110667

1542

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1543

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1544

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1545

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1546

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1547

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1548

C₅H₁₂S

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

c6163640

1549

C₄F₂

difluorobutadiyne

c4f2

1550

ClCOClCO

Oxalyl chloride

oxcl

1551

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1552

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1553

B₂F₄

Diboron tetrafluoride

b2f4

1554

B₂Cl₄

Diboron tetrachloride

b2cl4

1555

C₂F₄

Tetrafluoroethylene

c2f4

1556

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1557

C₂ClF₃

Ethene, chlorotrifluoro-

c2f3cl

1558

CF₂CCl₂

difluorodichloroethylene

cf2ccl2

1559

CFClCClF

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

cfclcclf

1560

CFClCFCl

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

cfclcfcl

1561

C₂FCl₃

fluorotrichloroethene

c2fcl3

1562

C₂Cl₄

Tetrachloroethylene

c2cl4

1563

C₂Br₄

tetrabromoethene

c2br4

1564

CF₃OF

Trifluoromethylhypofluorite

cf3of

1565

SiF₅^-

silicon pentafluoride anion

sif5-

1566

SOF₄

Sulfur tetrafluoride oxide

sof4

1567

PF₅

Phosphorus pentafluoride

pf5

1568

AsF₅

Arsenic pentafluoride

asf5

1569

PCl₅

Phosphorus pentachloride

pcl5

1570

SF₅

Sulfur pentafluoride

sf5

1571

SF₅⁺

pentafluoro sulfur cation

sf5+

1572

SbCl₅

Antimony pentachloride

sbcl5

1573

BrF₅

bromine pentafluoride

brf5

1574

ClF₅

chlorinepentafluoride

clf5

1575

IF₅

pentafluoroiodine

if5

1576

CF₃CHO

trifluoroacetaldehyde

cf3cho

1577

CHFClCHClF

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

chfclchclf

1578

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1579

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1580

CHFClCHFCl

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

chfclchfcl

1581

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

ch2clccl3

1582

CHCl₂CHCl₂

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

chcl2chcl2

1583

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

c2h2br4

1584

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

1585

CF₃COOH

trifluoroacetic acid

cf3cooh

1586

C₄H₃ClO

Furan, 2-chloro

fur2cl

1587

C₄H₃ClO

Furan,3-chloro

fur3cl

1588

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1589

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1590

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1591

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1592

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1593

C₄H₈Cl₂

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

c2211678

1594

C₄H₈Cl₂

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

c4028562

1595

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1596

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1597

C₄H₈O₂

Butanoic acid

bua

1598

C₆H₅CH₂

benzyl radical

benzyl

1599

C₇H₇⁺

cycloheptatrienyl cation

c7h7+

1600

C₆H₅CH₃

toluene

1601

C₇H₈

cycloheptatriene

cht

1602

C₇H₈

Norbornadiene

norbor

1603

C₇H₈

Quadricyclane

qucy

1604

C₇H₁₂

Norbornane

nor

1605

C₇H₁₄

cycloheptane

c7h14

1606

C₇H₁₆

2-methylhexane

2mhex

1607

C₇H₁₆

3-methylhexane

hex3m

1608

C₇H₁₆

heptane

1609

CH(CN)₃

tricyanomethane

mecn3

1610

HN=C=C(CN)₂

Dicyanoketenimine

c4hn3

1611

C₆H₇N

2-Methylpyridine

1612

C₆H₅NH₂

aniline

1613

C₆H₁₃N

2-Methylpiperidine

pip2m

1614

C₆H₁₃N

cyclohexanamine

cham

1615

C₆H₁₅N

triethylamine

tea

1616

N₂O₅

Dinitrogen pentoxide

n2o5

1617

C₄H₂O₃

Maleic Anhydride

malan

1618

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1619

C₅H₄O₂

furfural

1620

C₅H₅NO

2(1H)-Pyridinone

c72762006

1621

C₅H₅NO

2(3H)-Pyridinone

c9000048

1622

C₅H₅NO

2(5H)-Pyridinone

c9000037

1623

C₅H₅NO

2-Pyridinol

c109104

1624

C₅H₅NO

3(2H)-Pyridinone

c9000004

1625

C₅H₅NO

3(4H)-Pyridinone

c9000026

1626

C₅H₅NO

3(6H)-Pyridinone

c9000015

1627

C₅H₅NO

3-Pyridinol

c109002

1628

C₅H₅NO

4(1H)-Pryidinone

c9000060

1629

C₅H₅NO

4(3H)-Pryidinone

c9000059

1630

C₅H₅NO

4-Pyridinol

c626642

1631

C₆H₅OH

phenol

1632

C₆H₆O

2,4-Cyclohexadienone

c24599573

1633

C₆H₆O

2,5-Cyclohexadienone

c5664335

1634

C₆H₅SH

Benzenethiol

phsh

1635

HO₂CCHNH₂CH₂OH

Serine

serine

1636

C₅H₈O₂

Acetylacetone

acac

1637

C₄H₈O₂S

Sulfolane

sulfolane

1638

C₇H₁₀

Norbornene

norbornene

1639

CH(C₂H₃)₃

trivinyl methane

tvm

1640

C₆H₁₀O

cyclohexanone

chexo

1641

C₆H₁₂O

hexanal

c6h12o

1642

C₆H₁₂O

Oxepane

oxepane

1643

C₃H₇OC₃H₇

di-n-propyl ether

propr

1644

F₂CCCF₂

tetrafluoroallene

pfa

1645

CF₃COO^-

trifluoro acetate anion

cf3coo-

1646

CF₃COF

trifluoroacetyl fluoride

cf3cof

1647

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1648

PF₆

Hexafluorophosphate neutral

pf6

1649

PF₆^-

Hexafluorophosphate ion

pf6-

1650

SF₆

Sulfur Hexafluoride

sf6

1651

SeF₆

Selenium hexafluoride

sef6

1652

SF₅Cl

sulfur chloropentafluoride

sf5cl

1653

CF₃CHF₂

pentafluoroethane

cf3chf2

1654

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1655

CF₃CHCl₂

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

cf3chcl2

1656

CHCl₂CClF₂

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

chcl2cclf2

1657

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1658

C₆H₅F

Fluorobenzene

bzf

1659

C₆H₅Cl

chlorobenzene

bzcl

1660

C₆H₅Br

bromobenzene

bzbr

1661

C₈H₆

Calicene

calicene

1662

C₆H₅CCH

phenylacetylene

phac

1663

C₈H₆

benzocyclobutadiene

bcbd

1664

C₈H₆

Pentalene

pentalene

1665

C₆H₅CHCH₂

Styrene

styrene

1666

C₈H₈

cubane

1667

C₈H₈

cyclooctatetraene

cot

1668

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1669

CH₃C₆H₄CH₃

meta-xylene

mxylene

1670

CH₃C₆H₄CH₃

paraxylene

pxylene

1671

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1672

C₈H₁₆

cyclooctane

cyclooct

1673

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1674

C₈H₁₈

Octane

c8h18

1675

C₆H₅CN

phenyl cyanide

phcn

1676

C₆H₁₂N₂

Triethylenediamine

ted

1677

C₄O₄^--

squarate dianion

c4o4--

1678

S₄N₄

Tetrasulfur tetranitride

s4n4

1679

S₈

Octasulfur

1680

C₆H₄O₂

parabenzoquinone

pbq

1681

C₄H₄N₂O₂

Uracil

uracil

1682

C₆H₅OCH₃

Anisole

anisole

1683

C₅H₉NO₂

Proline

proline

1684

C₆H₁₂O₂

Methyl pivalate

c598981

1685

C₆H₁₂O₂

Hexanoic acid

hexa

1686

C₄F₄

tetrafluorcyclobutadiene

c4f4

1687

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1688

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1689

CF₂ClCFCl₂

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

cf2clcfcl2

1690

CF₃CCl₃

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

cf3ccl3

1691

C₂F₆

hexafluoroethane

c2f6

1692

C₂Cl₆

hexachloroethane

c2cl6

1693

IF₇

Iodine heptafluoride

if7

1694

C₆H₄F₂

metadifluorobenzene

mdfb

1695

C₆H₄F₂

orthodifluorobenzene

odfb

1696

C₆H₄F₂

1,4-difluorobenzene

pdfb

1697

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1698

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1699

C₆H₄Cl₂

1,4-dichlorobenzene

dcb14

1700

C₆H₅NO

nitrosobenzene

bzno

1701

C₉H₈

Indene

indene

1702

C₉H₈

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

snt

1703

C₉H₁₂

n-propyl benzene

prbz

1704

C₉H₂₀

Nonane

nonane

1705

C(CN)₄

tetracyanomethane

c5n4

1706

C₅H₄N₄

purine

1707

C₈H₇N

Indole

indole

1708

C₃H₃N₃O₃

cyanuric acid

cyanuric

1709

C₆H₅NO₂

Nitrobenzene

c6h5no2

1710

C₆H₅COOH

benzoic acid

benzo

1711

CH₃COC₆H₅

acetophenone

acph

1712

C₃Cl₃N₃

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

c3cl3n3

1713

C₃F₆

hexafluoropropene

c3f6

1714

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1715

C₈H₁₈O

1-Octanol

octanol

1716

C₁₀H₈

Azulene

azu

1717

C₁₀H₈

naphthalene

naph

1718

C₁₀H₁₀

bullvalene

bullv

1719

C₁₀H₁₆

adamantane

1720

C₆N₄

Tetracyanoethylene

tcne

1721

C₁₀H₂₂

Decane

decane

1722

C₄F₆

perfluorobutadiene

c4f6

1723

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1724

C₃F₈

perfluoropropane

c3f8

1725

Fe(CO)₅

Iron pentacarbonyl

ipc

1726

Fe(C₅H₅)₂

ferrocene

fecp2

1727

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1728

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1729

C₁₂H₈

Acenaphthylene

acenaph

1730

C₁₂H₈

biphenylene

biph

1731

C₁₂H₁₀

biphenyl

1732

C₁₂H₁₀

Heptalene

heptalene

1733

C₆H₁₂O₆

Inositol

inositol

1734

C₆F₆

hexafluorobenzene

c6f6

1735

S₂F₁₀

disulphur decafluoride

s2f10

1736

C₁₃H₁₀

Fluorene

fluorene

1737

C₁₄H₁₀

Anthracene

anth

1738

C₁₄H₁₀

Phenanthrene

phenanthrene

1739

C₁₄H₁₄

Bibenzyl

bibenzyl

1740

C₁₂H₁₀N₂

azobenzene

1741

C₆H₅COC₆H₅

benzophenone

1742

C₁₆H₁₀

Pyrene

pyrene

1743

C₁₈H₁₂

Tetracene

tetracene

1744

C₁₉H₁₆

Triphenylmethane

tpm

1745

C₂₄H₁₂

Coronene

coronene

1746

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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Big anharmonicity Electrostatics Charges Mulliken CHELP Aim ESP Dipole Dipole Dipole angle Dipole calculation types Quadrupole Polarizability Spin Spin density Entropy and Heat Capacity Entropy Reaction entropy Heat Capacity Reaction Reaction Energy 0K Reaction Energy 298K Isodesmic reactions Transition State Transition state Transition state frequencies Transition state geometries IRC Lookup by property By frequency Comparisons Geometry Bonds, angles Bond, angle, or dihedral DFT grid size on point group DFT grid on bond length Core correlation - bond length Same bond/angle many molecules Isoelectronic diatomics Isoelectronic triatomic angles Average bond lengths Rotation Rotational Constants Products of moments of inertia Point group Vibrations Vibrations 2 calculations Frequency differences One frequency Zero point energy Intensity Intensity for one mode Vibrational intensities Reduced mass comparison Anharmonic Triatomic Scale factors Energy Reaction Reaction Energy 0K Reaction Energy 298K Atomization 0K Atomization 298K Single point vs optimized DFT grid size on energy Semiempirical enthalpy Internal rotation Similar molecules Conformation Sets of isomers Sets of tautomers Isomers Entropy Entropy Heat capacity Entropy of several molecules Integrated heat capacity Reaction entropy Electrostatics Dipole Polarizability Several molecules Quadrupole Ion Compare Ionzation energy Koopman ionization energy Koopman IE for a few molecules Compare Electron affinity Compare Proton affinity Protonation Site Resources Info on Results Calculations Done Method and basis set List molecules One molecule Multiple conformers, states Multiple conformers, states Basis functions used I/O files Input/output files MOL file Z-matrix wfn files Glossary Conversion Forms B to I, I to B Angle formulas Integrated heat Capacity Calculating Enthalpy Links NIST Links NIST webbook bibliographic data CCCBDB Experimental data External links Basis Set Exchange Computational Chemistry List Thermochemistry in Gaussian Minnesota Database Collection Benchmark Energy and Geometry Point Groups Thermochemistry Thermochemistry Molecules with good enthalpy A → B + C Reference states Tutorials Vibrations Why scale vibrations Zero-point energies Entropy Methyl rotor entropy Entropy and conformations Energy Getting enthalpy of formation Vertical vs adiabatic IE Thermo from calculations Electrostatics Dipole parts by point group Quadrupoles Geometry Angle formulas Cost Cost Comparison Timings Comparison Bad Calculations Geometry Bad moment of inertia Bad Calculated Bond Lengths Bad point group Worst molecules Vibrations Bad vib. Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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